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Metabolism P450

P450

Cytochromes P450 (CYPs) are a superfamily of enzymes containing heme as a cofactor that function as monooxygenases. In mammals, these proteins oxidize steroids, fatty acids, and xenobiotics, and are important for the clearance of various compounds, as well as for hormone synthesis and breakdown. In plants, these proteins are important for the biosynthesis of defensive compounds, fatty acids, and hormones.CYPs are, in general, the terminal oxidase enzymes in electron transfer chains, broadly categorized as P450-containing systems. The term "P450" is derived from the spectrophotometric peak at the wavelength of the absorption maximum of the enzyme (450 nm) when it is in the reduced state and complexed with carbon monoxide. Most CYPs require a protein partner to deliver one or more electrons to reduce the iron (and eventually molecular oxygen).
Cat No. product name
T0179 Ticagrelor Ticagrelor is an inhibitor of platelet aggregation. Unlike clopidogrel, ticagrelor is not a prodrug required metabolic activation.
T0595 Naringin Naringin, a flavanone glycoside, exerts various of pharmacological effects such as blood lipid lowering, antioxidant activity, anticancer activity, and inhibiti...
T0603 Phthalic Acid Monooctyl Ester Phthalic acid mono-2-ethylhexyl ester (MEHP) is a major bioactive metabolite of diethylhexyl phthalate (DEHP), which inhibits the 17, 20 lyase activity of CYP17...
T0660 Beta-Tetralone Beta-Tetralone is a ketone derivative of tetralin.
T0679 Ketoconazole Ketoconazole, a CYP3A4 inhibitor, is an imidazole anti-fungal agent.
T0792 (-)-Sparteine sulfate pentahydrate Sparteine sulfate pentahydrate is a class 1a antiarrhythmic agent and a sodium channel blocker. It can chelate the bivalents calcium and magnesium.
T0920 Ambroxol Ambroxol is a secretolytic agent used in the treatment of respiratory diseases associated with viscid or excessive mucus. It is the active ingredient of Mucosol...
T1011 Itraconazole Itraconazole is a triazole antifungal agent that inhibits cytochrome P-450-dependent enzymes required for ERGOSTEROL synthesis.
T10335 Antihistamine-1 Antihistamine-1 is an H1-antihistamine (Ki: 6.9 nM) with acceptable blood-brain barrier penetration and also an inhibitor of CYP2D6 and hERG channel (IC50s: 5.4...
T10535 BI 653048 BI 653048 is a selective and orally active agonist of nonsteroidal glucocorticoid (IC50: 55 nM). BI 653048 is also an HCV NS3 protease inhibitor.
T10535L BI 653048 phosphate BI 653048 phosphate is a selective and orally active agonist of nonsteroidal glucocorticoid (GC)(IC50 : 55 nM).
T10688 Casopitant mesylate Casopitant mesylate (GW679769B) is a selective, brain permeable, and orally active antagonist of neurokinin 1 (NK1) receptor. It is a second in the class of ant...
T10891 CRTH2-IN-1 CRTH2-IN-1 is a selective prostaglandin D2 receptor DP2 (CRTH2) antagonist, a Ramatroban analog, with an IC50 of 6 nM in the human DP2 binding assay.
T10923 CYP17-IN-1 CYP17-IN-1 is an effective oral CYP17 inhibitor that can inhibit CYP17 in rats and humans with IC50 of 15.8 and 20.1 nM.
T11065 DMU2105 DMU2105 is a potent and specific CYP1B1 inhibitor, with IC50s of 10 nM and 742 nM for CYP1B1 and CYP1A1, respectively.
T11066 DMU2139 DMU2139 is a potent and specific CYP1B1 inhibitor with IC50s of 9 nM and 795 nM for CYP1B1 and CYP1A1, respectively.
T1149 Fenofibrate Fenofibrate is a peroxisome proliferator receptor alpha agonist. Fenofibrate is a synthetic phenoxy-isobutyric acid derivate and prodrug with antihyperlipidemic...
T1187 Bifonazole Bifonazole acts to destabilize the fungal cytochrome p450 51 enzyme (also known as Lanosterol 14-alpha-demethylase). It works by inhibiting the production of a ...
T11964 MCH-1 antagonist 1 MCH-1 antagonist 1 also inhibits CYP3A4 (IC50: 10μM).MCH-1 antagonist 1 is a potent melanin concentrating hormone (MCH-1) antagonist (Ki: 2.6 nM). 
T12146 N-Desmethyl Apalutamide N-Desmethyl Apalutamide is a less potent antagonist of the androgen receptor, is an active Apalutamide metabolite.
T1274 Benzbromarone Uricosuric is an effective inhibitor of CYP2C9 used in the treatment of gout.
T1415 Gemfibrozil Gemfibrozil interacts with peroxisome proliferator-activated receptors (PPARalpha) resulting in PPARalpha-mediated stimulation of fatty acid oxidation and an in...
T1443 Memantine hydrochloride Memantine hydrochloride is an AMANTADINE derivative that has some dopaminergic effects. Memantine hydrochloride has been proposed as an antiparkinson agent.
T14678 BMS-819881 BMS-819881 is a melaninconcentrating hormone receptor 1 (MCHR1) antagonist, which binds rat MCHR1 with a Ki of 7 nM and it also is selective and potent for CYP3...
T1597 Proadifen hydrochloride Proadifen hydrochloride is an inhibitor of drug metabolism and cytochrome P-450 enzyme system activity.
T16111 ML604086 ML604086 suppresses CCL1 mediated chemotaxis and enhances intracellular Ca2 concentrations. ML604086 is a selective inhibitor of CCR8. It also inhibiting CCL1 b...
T16739 RG-12525 RG-12525 is a PPAR-gamma agonist (IC50: appr 60 nM) and a potent inhibitor of CYP3A4 (Ki: 0.5 µM). RG-12525 is a specific and competitive antagonist of the pep...
T1704 Diosmetin Diosmetin has been found to act as a weak TrkB receptor agonist.
T2143 Bergapten Bergapten, a psoralen, inhibits cell replication.
T2175 Apigenin Chamomile is an aromatic oil extracted from the flowers or leaves of the daisy-like plants. Extracts, oils and teas made from chamomile are used for its soothin...
T2532 Tauroursodeoxycholic Acid Tauroursodeoxycholic acid is the more hydrophilic form of ursodeoxycholic acid, which is the more abundant naturally produced bile acid in humans. Tauroursodeox...
T2753 Avasimibe Avasimibe is an orally bioavailable inhibitor of acyl-Coenzyme A: cholesterol acyltransferase (ACAT, IC50: 3.3 μM) that prevents cholesterol deposition in the ...
T2838 Naringenin Naringenin is a flavanone that is considered to have a bioactive effect on human health as antioxidant, free radical scavenger, antiinflammatory, carbohydrate m...
T2944 Sodium Danshensu Danshensu (sodium salt) is sodium salt of danshensu from the widely used Chinese herb Danshen. It can inhibited phenylephrine- and CaCl2-induced vasoconstrictio...
T2945 Germacrone Germacrone, a major active component found in Curcuma zedoaria oil product, shows anti-inflammatory, antiandrogenic, and antivirus activities. It also inhibits ...
T2946 Tanshinone IIA sulfonate sodium Sodium tanshinone IIA sulfonate (STS) is a water-soluble derivative of tanshinone IIA extracted from Savia miltiorrhiza; a potent negative allosteric modulator ...
T2949 Alizarin Alizarin, a red dye derived from the roots of plants of the madder genus, inhibits P450 isoform CYP1A1( IC50 = 6.2 μM), CYP1A2 (IC50 =10.0 μM )and CYP1B1(IC50...
T2S0663 Humantenmine 1. Humantenmine is a toxic compound isolated from Gelsemium elegans Benth . 2. Humantenmine and koumine may inhibit several CYP450 enzyme activities.
T3002 Piperine Piperine (1-Piperoylpiperidine), a alkaloid, has been used in trials studying the treatment of multiple myeloma and deglutition disorders.
T3355 Naloxegol oxalate Naloxegol oxalate is a peripherally-selective opioid antagonist for the treatment of opioid-induced constipation.
T3401 Ginsenoside F1 Ginsenoside F1 is an enzymatically modified derivative of ginsenoside Rg1, showing competitive inhibition of the activity of CYP3A4 and a weaker inhibition of t...
T3411 Curdione Curdione inhibits CYP3A4 activity and the production of prostaglandin E2. Curdione inhibits proliferation of MCF-7 cells by inducing apoptosis. Curdione may be ...
T3417 Amentoflavone Amentoflavone, as a potent inhibitor of CYP3A4 and CYP2C9, can interact with many other medications. CYP3A4 and CYP2C9 are proteins used for drug metabolism in ...
T3585 TMS TMS is a very selective and potent competitive inhibitor of P450 1B1 (CYP1A1).
T3669 Curcumenol Curcumenol, one of the major components of Zedoary turmeric oil, is an antibiotic drug which has anti-Y, anti-inflammation activity. Curcumenol may be safely us...
T3698 alpha-Asarone Alpha-Asarone is a psychoactive compound with antidepressant-like activity in mice.
T3736 Olivetol Olivetol (5-pentylresorcinol, 5-pentyl-1,3-benzenediol) is an organic compound found in certain species of lichen; it is also a precursor in various syntheses o...
T3768 Epifriedelanol Epifriedelanol suppresses adriamycin-induced cellular senescence, replicative senescence in human fibroblasts (HDFs) and HUVECs. Because of Epifriedelanol can ...
T3776 Rhapontigenin Rhapontigenin is a mechanism-based, selective inactivator of cytochrome P450 1A1 (IC50: 400 nM), an aryl hydrocarbon hydroxylase which activates polycyclic arom...
T3797 Isosilybin Isosilybin and Silybin might be suitable candidates to design potent PXR antagonists to prevent drug-drug interactions via CYP3A4 in cancer patients.
T3811 Ginsenoside C-K Ginsenoside C-K is a bacterial metabolite of G-Rb1 exhibiting anti-inflammatory effects by reducing iNOS and COX-2.
T3886 Rosavin Rosavin has antidepressant and anxiolytic actions, helps balance all the neurotransmitters.
T4188 SDZ285-428 NVP-VID-400 (SDZ285-428) is a CYP24A1 inhibitor.
T4498 Stiripentol Stiripentol (STP) is an anticonvulsant agent, which can inhibit N-demethylation of CLB to NCLB mediated by CYP3A4 (noncompetitively) and CYP2C19 (competitively)...
T4567 Sulfaphenazole Sulfaphenazole is an inhibitor of CYP2C9 (Ki: 0.3 μM) that demonstrates at least 100-fold selectivity over other CYP450 isoforms (Ki: 63/29 μM for CYP2C8/CYP2...
T4S0800 Demethyleneberberine Demethyleneberberine, which is composed of a potential antioxidant structure, could penetrate the membrane of mitochondria and accumulate in mitochondria either...
T5594 Cedrol Cedrol is a cedrane sesquiterpenoid and a tertiary alcohol,Cedrol inhibits the cytochrome P450 (CYP) isoforms CYP2B6 and CYP3A4 (Kis = 0.9 and 3.4 μM, respecti...
T5715 FLAVOKAVAIN A(P) FLAVOKAVAIN A(P), a novel chalcone from kava extract, induces apoptosis in bladder cancer cells by involvement of Bax protein-dependent and mitochondria-depende...
T5786 TETRAHYDROPIPERINE TETRAHYDROPIPERINE is a natural product derived from piperine, can be used to treat convulsion, epilepsy, relieve pain, and control insects.
T5953 1-Aminobenzotriazole 1-Aminobenzotriazole (ABT) is a non-specific cytochrome P450 (CYP) inhibitor.
T5S0669 Bergamotine 1. Bergamotine can significantly reduce blood glucose and increase glucose tolerance and insulin sensitivity in KK-A<sup>y</sup>diabetic mice.
T5S2360 Corydaline 1. Corydaline, an isoquinoline alkaloid, is one of the major active constituents in a new prokinetic botanical agent. 2. Corydaline promotes gastric emptying a...
T6030 XL388 XL388 is a highly effective, specifc, ATP-competitive inhibitor of mTOR ( IC50: 9.9 nM), 1000-fold selectivity than the closely related PI3K kinases.
T6215 Abiraterone Acetate Abiraterone acetate is an androstene derivative that inhibits STEROID 17-ALPHA-HYDROXYLASE and is used as an ANTINEOPLASTIC AGENT in the treatment of metastatic...
T6216 Abiraterone Abiraterone (CB-7598) is an effective steroidal cytochrome P450 17alpha-hydroxylase-17,20-lyase (CYP17) inhibitor (IC50: 4 nM).
T6246 Cobicistat Cobicistat is a carbamate and thiazole derivative that functions as a CYTOCHROME P450 CYP3A INHIBITOR to enhance the concentration of ANTI-HIV AGENTS, with whic...
T6509 Galeterone Galeterone is an orally bioavailable small-molecule androgen receptor modulator and CYP17 lyase inhibitor with potential antiandrogen activity. Galeterone exhib...
T6S0630 Hypaconitine Hypaconitine, an active and highly toxic constituent derived from Aconitum species, has anti-inflammatory activity, is widely used to treat rheumatism.
T6S1894 Linderane 1. Linderane was characterized as a mechanism-based inactivator of CYP2C9.
T7088 Difubenzuron Diflubenzuron is a benzoyl-urea insecticide, found to be a potent inhibitor of melanosome synthesis in mouse melanoma cells. Diflubenzuron has also been shown t...
T7190 Actein Actein has a stimulatory effect on osteoblastic bone formation or has potential activity against osteoporosis, it also can prevent oxidative damage to osteoblas...
T7370 Talarozole Talarozole is an oral systemic all-trans retinoic acid metabolism blocking agent (RAMBA). Talarozole inhibits both CYP26A1 and CYP26B1 with IC50s of 5.4 and 0.4...
T7410 Furafylline Furafylline is a selective inhibitor of human cytochrome P450 (CYP)1A2 (IC50 : 0.07 μM),
T7427 1-Ethynylnaphthalene 1-Ethynylnaphthalene is a selective inhibitor of cytochrome P450 IB1
T7472 7-Hydroxyflavone 7-Hydroxyflavone is a potent inhibitor of CYP1A1 with a Ki value of 0.015 μM and exhibits 6-fold greater selectivity for CYP1A1 over CYP1A2.with anti-inflammat...
T7618 Pyributicarb Pyributicarb is a potent activator of both CYP3A4 gene and human pregnane X receptor (hPXR). 
T8125 Quinidine sulfate Quinidine sulfate dihydrate is a potent and selective cytochrome P450db  inhibitor
T8182 Guan-fu base A Guanfu base A is a potent noncompetitive CYP2D6 inhibitor (Ki: 1.20 μM in HLMs; Ki: 0.37 μM for rCYP2D6). It also inhibits HERG channel current.
T9113 Myristicin Myristicin has anti-cholinergic, antibacterial, and hepatoprotective effects, it also has anti-inflammatory properties related with its inhibition of NO, cytoki...
TC0039 Vasicinone Vasicinone may act as a hepatoprotective agent. (±)-Vasicinone has significant antitussive, expectorant, and bronchodilating activities, which can be used to t...
TMA0164 15-Hydroxydehydroabietic acid 15-Hydroxydehydroabietic acid exhibits a promising alpha-glucosidase inhibitory activity, it also shows significant antibacterial activities.
TMA2106 (-)-Sparteine Sparteine is a class 1a antiarrhythmic agent, a sodium channel blocker. The deficient debrisoquine hydroxylation of Sparteine is due to the absence of P-450IID1...
TN1011 Rhodionin Rhodionin and rhodionin can inhibit cytochrome P450 2D6 non-competitively with high specificity which could have implications for interactions with co-administe...
TN1023 Miltirone Miltirone is a CYPs inhibitor, it has been characterized as a low-affinity ligand for central benzodiazepine receptors.
TN1027 beta-Amyrin beta-Amyrin has antiviral, hepatoprotective, antinociceptive, anti-inflammatory, it retard acute inflammation in rat model of periodontitis.
TN1078 Seneciphylline Seneciphylline, one of the hepatotoxic pyrolizidine alkaloids, has mutagenic activity in Drosophila and their transfer into rat milk.Seneciphylline can signific...
TN1210 2-Hydroxy-1-Methoxyaporphine 2-Hydroxy-1-Methoxyaporphine can inhibit CYP2D6 activity, it also increase the glucose consumption significantly as rosiglitazone.
TN1343 8-Geranyloxypsoralen 8-Geranyloxypsoralen inhibits α²-secretase (BACE1) activity in non-competitive manner, with the IC(50) values <25.0 μM, it can induce vasorelaxation on rat a...
TN1372 alpha-Amyrin Alpha-Amyrin is trypsin and chymotrypsin inhibitor,it has antineoplastic,it induces proliferation of human keratinocytes.Alpha-Amyrin can as a hepatomodulatory ...
TN1378 alpha-Viniferin Alpha-viniferin is a prostaglandin H2 synthase inhibitor, which has anti-inflammatory, anti-oxidant, anti-arthritis, and anti-tumor activities.
TN1416 Ayanin Ayanin has vasorelaxant activity, it also may have the potential for use in treating allergic asthma.The IC(50) value of Ayanin (quercetin-3,7,4'-O-trimethyleth...
TN1482 Chamaechromone Chamaechromone has anti-HBV and insecticidal activity. The hydroxylation of Chamaechromone is inhibited by α±-naphthoflavone, and predominantly catalyzed by r...
TN1526 Corydalmine Corydalmine exhibits antibacterial activities against Staphylococcus aureus and methicillin-resistant S. aureus strains.1-Corydalmine significantly inhibits spo...
TN1691 Glabrol Glabrol is a PTP1B inhibitor, it is also a CYP1B1 inhibitor, it shows inhibition of CYP1B1 in live cell assay with the IC50 value of 15uM.
TN1702 Glycycoumarin Glycycoumarin is an estrogen agonist, it shows moderate inhibitory effects against CYP1A2 and CYP2B6.
TN1748 Humantenirine Standard reference
TN1828 Kahweol Kahweol has anticarcinogenic, anti-angiogenic,and anti-inflammatory activities, it can block the LPS-induced activation of NF-kappaB by preventing IkappaB degra...
TN1854 Lasiodin Lasiokaurin has anti-oxidative, and antineoplastic activities, it also shows antibacterial activity, esp. against Sarcina lutea.
TN2144 Resveratroloside Resveratroloside has cardioprotective effect, it exhibits α±-glucosidase inhibitory activity, it also can inhibit hydroxylation of testosterone by CYP3A4.
TN2147 Retrorsine Retrorsine selectively inhibits hepatocyte proliferation and following liver injury evokes small hepatocyte-like progenitor cells.
TN2179 Saponarin Saponarin shows in vitro and in vivo hepatoprotective and antioxidant activity against CCl4-induced liver damage.
TN2687 2,3',4,6-Tetrahydroxybenzophenone 2,3',4,6-Tetrahydroxybenzophenone possesses significant antioxidant activity.
TN3080 5,6,7-Trimethoxycoumarin 5,6,7-Trimethoxycoumarin shows moderate inhibitory activity against Micrococcus luteus, it also displays an intermediate cytotoxic effects against brine shrimp ...
TN3147 6',7'-Dihydroxybergamottin 6',7'-Dihydroxybergamottin(DHB), a well-known inhibitor of CYP3A4, the inhibition of CYP3A4 activity by DHB includes the inhibition of POR activity, DHB can inh...
TN3294 8alpha-(2-Methylacryloyloxy)hirsutinolide 13-O-acetate 8alpha-(2-Methylacryloyloxy)hirsutinolide 13-O-acetate shows inhibitory activity toward CYP2A6 and MAO-A and MAO-B enzymes.
TN3300 8alpha-Tigloyloxyhirsutinolide 13-O-acetate 8alpha-Tigloyloxyhirsutinolide 13-O-acetate shows inhibitory activity toward CYP2A6 and MAO-A and MAO-B enzymes. 8alpha-Tigloyloxyhirsutinolide 13-O-acetate has...
TN3379 Allocryptopine Allocryptopine has certain effects on anti-injury for hepatocyte, ameliorating liver function, and prohibiting hepatic fibrosis; it increases mRNA levels of cyt...
TN3574 Canadine Canadine has antioxidant activity with low-toxic effect.
TN3627 Chalepensin Chalepensin behaves as an energy transfer inhibitor at low concentration, it inhibits multiple P450s and that epoxidation activity is crucial for the potential ...
TN3875 Dipterocarpol Dipterocarpol is a dammarane-type triterpenoid, as are the major bioactive compounds of ginseng. Dipterocarpol A shows moderate acetylcholinesterase inhibitory ...
TN4130 Germacrone 4,5-epoxide (4S,5S)-(+)-Germacrone-4,5-epoxide inhibits certain subtypes of cytochrome P450 (CYP).
TN4277 Isocupressic acid Isocupressic acid induces abortion in pregnant cows when ingested primarily during the last trimester, it decrease affects the angiogenesis of the female reprod...
TN4424 Lecanoric acid Lecanoric acid shows antioxidant activity with an IC50 value of 79-95 ug/ml, it at 100 ug/ml conc. shows high growth stimulating activity in terms of increased ...
TN4435 Licopyranocoumarin Licopyranocoumarin could as a potent neuroprotective drug via markedly blocked MPP+-induced neuronal PC12D cell death and disappearance of mitochondrial membran...
TN4800 Pisatin Pisatin is an isoflavonoid phytoalexin synthesized by pea (Pisum sativum L.).
TN4928 Rutacridone Rutacridone has mutagenicity.
TN5278 Zederone Zederone has anti-bacterial activity,it inhibits gram-positive bacteria activity. Zederone induces hepatotoxicity implicated the induction of Cyps, which leads ...
TQ0109 (-)-Cephaeline dihydrochloride (-)-Cephaeline (dihydrochloride) is an enantiomer of Cephaeline. Cephaeline is a selective CYP2D6 inhibitor (IC50: 121 μM).
TQ0191 Dihydromethysticin Dihydromethysticin is one kavalactone found in Piper methysticum. It has marked activity on the induction of CYP3A23.
TQ0217 Gomisin G Gomisin G is a natural compound and exhibits potent anti-HIV activity (EC50: 0.006 μg/mL; therapeutic index: 300). It is a good substrate of CYP2C9.
TQ0276 Methysticin Methysticin, a major kavalactone extracted from kava, can induce CYP1A1.
TQ0296 N-Nornuciferine N-Nornuciferine, an aporphine alkaloid in lotus leaf, significantly inhibits CYP2D6 (IC50: 3.76 μM, Ki: 2.34 μM).
Ticagrelor
T0179CAS 274693-27-5
Ticagrelor is an inhibitor of platelet aggregation. Unlike clopidogrel, ticagrelor is not a prodrug required metabolic activation.
Naringin
T0595CAS 10236-47-2
Naringin, a flavanone glycoside, exerts various of pharmacological effects such as blood lipid lowering, antioxidant activity, anticancer activity, and inhibiti...
Phthalic Acid Monooctyl Ester
T0603CAS 4376-20-9
Phthalic acid mono-2-ethylhexyl ester (MEHP) is a major bioactive metabolite of diethylhexyl phthalate (DEHP), which inhibits the 17, 20 lyase activity of CYP17...
Beta-Tetralone
T0660CAS 530-93-8
Beta-Tetralone is a ketone derivative of tetralin.
Ketoconazole
T0679CAS 65277-42-1
Ketoconazole, a CYP3A4 inhibitor, is an imidazole anti-fungal agent.
(-)-Sparteine sulfate pentahydrate
T0792CAS 6160-12-9
Sparteine sulfate pentahydrate is a class 1a antiarrhythmic agent and a sodium channel blocker. It can chelate the bivalents calcium and magnesium.
Ambroxol
T0920CAS 18683-91-5
Ambroxol is a secretolytic agent used in the treatment of respiratory diseases associated with viscid or excessive mucus. It is the active ingredient of Mucosol...
Itraconazole
T1011CAS 84625-61-6
Itraconazole is a triazole antifungal agent that inhibits cytochrome P-450-dependent enzymes required for ERGOSTEROL synthesis.
Antihistamine-1
T10335CAS 1186430-60-3
Antihistamine-1 is an H1-antihistamine (Ki: 6.9 nM) with acceptable blood-brain barrier penetration and also an inhibitor of CYP2D6 and hERG channel (IC50s: 5.4...
BI 653048
T10535CAS 1198784-72-3
BI 653048 is a selective and orally active agonist of nonsteroidal glucocorticoid (IC50: 55 nM). BI 653048 is also an HCV NS3 protease inhibitor.
BI 653048 phosphate
T10535LCAS 1198784-97-2
BI 653048 phosphate is a selective and orally active agonist of nonsteroidal glucocorticoid (GC)(IC50 : 55 nM).
Casopitant mesylate
T10688CAS 414910-30-8
Casopitant mesylate (GW679769B) is a selective, brain permeable, and orally active antagonist of neurokinin 1 (NK1) receptor. It is a second in the class of ant...
CRTH2-IN-1
T10891CAS 926661-54-3
CRTH2-IN-1 is a selective prostaglandin D2 receptor DP2 (CRTH2) antagonist, a Ramatroban analog, with an IC50 of 6 nM in the human DP2 binding assay.
CYP17-IN-1
T10923CAS 2093317-51-0
CYP17-IN-1 is an effective oral CYP17 inhibitor that can inhibit CYP17 in rats and humans with IC50 of 15.8 and 20.1 nM.
DMU2105
T11065CAS 1821143-79-6
DMU2105 is a potent and specific CYP1B1 inhibitor, with IC50s of 10 nM and 742 nM for CYP1B1 and CYP1A1, respectively.
DMU2139
T11066CAS 1821143-80-9
DMU2139 is a potent and specific CYP1B1 inhibitor with IC50s of 9 nM and 795 nM for CYP1B1 and CYP1A1, respectively.
Fenofibrate
T1149CAS 49562-28-9
Fenofibrate is a peroxisome proliferator receptor alpha agonist. Fenofibrate is a synthetic phenoxy-isobutyric acid derivate and prodrug with antihyperlipidemic...
Bifonazole
T1187CAS 60628-96-8
Bifonazole acts to destabilize the fungal cytochrome p450 51 enzyme (also known as Lanosterol 14-alpha-demethylase). It works by inhibiting the production of a ...
MCH-1 antagonist 1
T11964CAS 1039825-68-7
MCH-1 antagonist 1 also inhibits CYP3A4 (IC50: 10μM).MCH-1 antagonist 1 is a potent melanin concentrating hormone (MCH-1) antagonist (Ki: 2.6 nM). 
N-Desmethyl Apalutamide
T12146CAS 1332391-11-3
N-Desmethyl Apalutamide is a less potent antagonist of the androgen receptor, is an active Apalutamide metabolite.
Benzbromarone
T1274CAS 3562-84-3
Uricosuric is an effective inhibitor of CYP2C9 used in the treatment of gout.
Gemfibrozil
T1415CAS 25812-30-0
Gemfibrozil interacts with peroxisome proliferator-activated receptors (PPARalpha) resulting in PPARalpha-mediated stimulation of fatty acid oxidation and an in...
Memantine hydrochloride
T1443CAS 41100-52-1
Memantine hydrochloride is an AMANTADINE derivative that has some dopaminergic effects. Memantine hydrochloride has been proposed as an antiparkinson agent.
BMS-819881
T14678CAS 1197420-05-5
BMS-819881 is a melaninconcentrating hormone receptor 1 (MCHR1) antagonist, which binds rat MCHR1 with a Ki of 7 nM and it also is selective and potent for CYP3...
Proadifen hydrochloride
T1597CAS 62-68-0
Proadifen hydrochloride is an inhibitor of drug metabolism and cytochrome P-450 enzyme system activity.
ML604086
T16111CAS 850330-18-6
ML604086 suppresses CCL1 mediated chemotaxis and enhances intracellular Ca2 concentrations. ML604086 is a selective inhibitor of CCR8. It also inhibiting CCL1 b...
RG-12525
T16739CAS 120128-20-3
RG-12525 is a PPAR-gamma agonist (IC50: appr 60 nM) and a potent inhibitor of CYP3A4 (Ki: 0.5 µM). RG-12525 is a specific and competitive antagonist of the pep...
Diosmetin
T1704CAS 520-34-3
Diosmetin has been found to act as a weak TrkB receptor agonist.
Bergapten
T2143CAS 484-20-8
Bergapten, a psoralen, inhibits cell replication.
Apigenin
T2175CAS 520-36-5
Chamomile is an aromatic oil extracted from the flowers or leaves of the daisy-like plants. Extracts, oils and teas made from chamomile are used for its soothin...
Tauroursodeoxycholic Acid
T2532CAS 14605-22-2
Tauroursodeoxycholic acid is the more hydrophilic form of ursodeoxycholic acid, which is the more abundant naturally produced bile acid in humans. Tauroursodeox...
Avasimibe
T2753CAS 166518-60-1
Avasimibe is an orally bioavailable inhibitor of acyl-Coenzyme A: cholesterol acyltransferase (ACAT, IC50: 3.3 μM) that prevents cholesterol deposition in the ...
Naringenin
T2838CAS 480-41-1
Naringenin is a flavanone that is considered to have a bioactive effect on human health as antioxidant, free radical scavenger, antiinflammatory, carbohydrate m...
Sodium Danshensu
T2944CAS 67920-52-9
Danshensu (sodium salt) is sodium salt of danshensu from the widely used Chinese herb Danshen. It can inhibited phenylephrine- and CaCl2-induced vasoconstrictio...
Germacrone
T2945CAS 6902-91-6
Germacrone, a major active component found in Curcuma zedoaria oil product, shows anti-inflammatory, antiandrogenic, and antivirus activities. It also inhibits ...
Tanshinone IIA sulfonate sodium
T2946CAS 69659-80-9
Sodium tanshinone IIA sulfonate (STS) is a water-soluble derivative of tanshinone IIA extracted from Savia miltiorrhiza; a potent negative allosteric modulator ...
Alizarin
T2949CAS 72-48-0
Alizarin, a red dye derived from the roots of plants of the madder genus, inhibits P450 isoform CYP1A1( IC50 = 6.2 μM), CYP1A2 (IC50 =10.0 μM )and CYP1B1(IC50...
Humantenmine
T2S0663CAS 82354-38-9
1. Humantenmine is a toxic compound isolated from Gelsemium elegans Benth . 2. Humantenmine and koumine may inhibit several CYP450 enzyme activities.
Piperine
T3002CAS 94-62-2
Piperine (1-Piperoylpiperidine), a alkaloid, has been used in trials studying the treatment of multiple myeloma and deglutition disorders.
Naloxegol oxalate
T3355CAS 1354744-91-4
Naloxegol oxalate is a peripherally-selective opioid antagonist for the treatment of opioid-induced constipation.
Ginsenoside F1
T3401CAS 53963-43-2
Ginsenoside F1 is an enzymatically modified derivative of ginsenoside Rg1, showing competitive inhibition of the activity of CYP3A4 and a weaker inhibition of t...
Curdione
T3411CAS 13657-68-6
Curdione inhibits CYP3A4 activity and the production of prostaglandin E2. Curdione inhibits proliferation of MCF-7 cells by inducing apoptosis. Curdione may be ...
Amentoflavone
T3417CAS 1617-53-4
Amentoflavone, as a potent inhibitor of CYP3A4 and CYP2C9, can interact with many other medications. CYP3A4 and CYP2C9 are proteins used for drug metabolism in ...
TMS
T3585CAS 24144-92-1
TMS is a very selective and potent competitive inhibitor of P450 1B1 (CYP1A1).
Curcumenol
T3669CAS 19431-84-6
Curcumenol, one of the major components of Zedoary turmeric oil, is an antibiotic drug which has anti-Y, anti-inflammation activity. Curcumenol may be safely us...
alpha-Asarone
T3698CAS 2883-98-9
Alpha-Asarone is a psychoactive compound with antidepressant-like activity in mice.
Olivetol
T3736CAS 500-66-3
Olivetol (5-pentylresorcinol, 5-pentyl-1,3-benzenediol) is an organic compound found in certain species of lichen; it is also a precursor in various syntheses o...
Epifriedelanol
T3768CAS 16844-71-6
Epifriedelanol suppresses adriamycin-induced cellular senescence, replicative senescence in human fibroblasts (HDFs) and HUVECs. Because of Epifriedelanol can ...
Rhapontigenin
T3776CAS 500-65-2
Rhapontigenin is a mechanism-based, selective inactivator of cytochrome P450 1A1 (IC50: 400 nM), an aryl hydrocarbon hydroxylase which activates polycyclic arom...
Isosilybin
T3797CAS 72581-71-6
Isosilybin and Silybin might be suitable candidates to design potent PXR antagonists to prevent drug-drug interactions via CYP3A4 in cancer patients.
Ginsenoside C-K
T3811CAS 39262-14-1
Ginsenoside C-K is a bacterial metabolite of G-Rb1 exhibiting anti-inflammatory effects by reducing iNOS and COX-2.
Rosavin
T3886CAS 84954-92-7
Rosavin has antidepressant and anxiolytic actions, helps balance all the neurotransmitters.
SDZ285-428
T4188CAS 174262-13-6
NVP-VID-400 (SDZ285-428) is a CYP24A1 inhibitor.
Stiripentol
T4498CAS 49763-96-4
Stiripentol (STP) is an anticonvulsant agent, which can inhibit N-demethylation of CLB to NCLB mediated by CYP3A4 (noncompetitively) and CYP2C19 (competitively)...
Sulfaphenazole
T4567CAS 526-08-9
Sulfaphenazole is an inhibitor of CYP2C9 (Ki: 0.3 μM) that demonstrates at least 100-fold selectivity over other CYP450 isoforms (Ki: 63/29 μM for CYP2C8/CYP2...
Demethyleneberberine
T4S0800CAS 25459-91-0
Demethyleneberberine, which is composed of a potential antioxidant structure, could penetrate the membrane of mitochondria and accumulate in mitochondria either...
Cedrol
T5594CAS 77-53-2
Cedrol is a cedrane sesquiterpenoid and a tertiary alcohol,Cedrol inhibits the cytochrome P450 (CYP) isoforms CYP2B6 and CYP3A4 (Kis = 0.9 and 3.4 μM, respecti...
FLAVOKAVAIN A(P)
T5715CAS 37951-13-6
FLAVOKAVAIN A(P), a novel chalcone from kava extract, induces apoptosis in bladder cancer cells by involvement of Bax protein-dependent and mitochondria-depende...
TETRAHYDROPIPERINE
T5786CAS 23434-88-0
TETRAHYDROPIPERINE is a natural product derived from piperine, can be used to treat convulsion, epilepsy, relieve pain, and control insects.
1-Aminobenzotriazole
T5953CAS 1614-12-6
1-Aminobenzotriazole (ABT) is a non-specific cytochrome P450 (CYP) inhibitor.
Bergamotine
T5S0669CAS 7380-40-7
1. Bergamotine can significantly reduce blood glucose and increase glucose tolerance and insulin sensitivity in KK-A<sup>y</sup>diabetic mice.
Corydaline
T5S2360CAS 518-69-4
1. Corydaline, an isoquinoline alkaloid, is one of the major active constituents in a new prokinetic botanical agent. 2. Corydaline promotes gastric emptying a...
XL388
T6030CAS 1251156-08-7
XL388 is a highly effective, specifc, ATP-competitive inhibitor of mTOR ( IC50: 9.9 nM), 1000-fold selectivity than the closely related PI3K kinases.
Abiraterone Acetate
T6215CAS 154229-18-2
Abiraterone acetate is an androstene derivative that inhibits STEROID 17-ALPHA-HYDROXYLASE and is used as an ANTINEOPLASTIC AGENT in the treatment of metastatic...
Abiraterone
T6216CAS 154229-19-3
Abiraterone (CB-7598) is an effective steroidal cytochrome P450 17alpha-hydroxylase-17,20-lyase (CYP17) inhibitor (IC50: 4 nM).
Cobicistat
T6246CAS 1004316-88-4
Cobicistat is a carbamate and thiazole derivative that functions as a CYTOCHROME P450 CYP3A INHIBITOR to enhance the concentration of ANTI-HIV AGENTS, with whic...
Galeterone
T6509CAS 851983-85-2
Galeterone is an orally bioavailable small-molecule androgen receptor modulator and CYP17 lyase inhibitor with potential antiandrogen activity. Galeterone exhib...
Hypaconitine
T6S0630CAS 6900-87-4
Hypaconitine, an active and highly toxic constituent derived from Aconitum species, has anti-inflammatory activity, is widely used to treat rheumatism.
Linderane
T6S1894CAS 13476-25-0
1. Linderane was characterized as a mechanism-based inactivator of CYP2C9.
Difubenzuron
T7088CAS 35367-38-5
Diflubenzuron is a benzoyl-urea insecticide, found to be a potent inhibitor of melanosome synthesis in mouse melanoma cells. Diflubenzuron has also been shown t...
Actein
T7190CAS 18642-44-9
Actein has a stimulatory effect on osteoblastic bone formation or has potential activity against osteoporosis, it also can prevent oxidative damage to osteoblas...
Talarozole
T7370CAS 201410-53-9
Talarozole is an oral systemic all-trans retinoic acid metabolism blocking agent (RAMBA). Talarozole inhibits both CYP26A1 and CYP26B1 with IC50s of 5.4 and 0.4...
Furafylline
T7410CAS 80288-49-9
Furafylline is a selective inhibitor of human cytochrome P450 (CYP)1A2 (IC50 : 0.07 μM),
1-Ethynylnaphthalene
T7427CAS 15727-65-8
1-Ethynylnaphthalene is a selective inhibitor of cytochrome P450 IB1
7-Hydroxyflavone
T7472CAS 6665-86-7
7-Hydroxyflavone is a potent inhibitor of CYP1A1 with a Ki value of 0.015 μM and exhibits 6-fold greater selectivity for CYP1A1 over CYP1A2.with anti-inflammat...
Pyributicarb
T7618CAS 88678-67-5
Pyributicarb is a potent activator of both CYP3A4 gene and human pregnane X receptor (hPXR). 
Quinidine sulfate
T8125CAS 6591-63-5
Quinidine sulfate dihydrate is a potent and selective cytochrome P450db  inhibitor
Guan-fu base A
T8182CAS 1394-48-5
Guanfu base A is a potent noncompetitive CYP2D6 inhibitor (Ki: 1.20 μM in HLMs; Ki: 0.37 μM for rCYP2D6). It also inhibits HERG channel current.
Myristicin
T9113CAS 607-91-0
Myristicin has anti-cholinergic, antibacterial, and hepatoprotective effects, it also has anti-inflammatory properties related with its inhibition of NO, cytoki...
Vasicinone
TC0039CAS 486-64-6
Vasicinone may act as a hepatoprotective agent. (±)-Vasicinone has significant antitussive, expectorant, and bronchodilating activities, which can be used to t...
15-Hydroxydehydroabietic acid
TMA0164CAS 54113-95-0
15-Hydroxydehydroabietic acid exhibits a promising alpha-glucosidase inhibitory activity, it also shows significant antibacterial activities.
(-)-Sparteine
TMA2106CAS 24915-04-6
Sparteine is a class 1a antiarrhythmic agent, a sodium channel blocker. The deficient debrisoquine hydroxylation of Sparteine is due to the absence of P-450IID1...
Rhodionin
TN1011CAS 85571-15-9
Rhodionin and rhodionin can inhibit cytochrome P450 2D6 non-competitively with high specificity which could have implications for interactions with co-administe...
Miltirone
TN1023CAS 27210-57-7
Miltirone is a CYPs inhibitor, it has been characterized as a low-affinity ligand for central benzodiazepine receptors.
beta-Amyrin
TN1027CAS 559-70-6
beta-Amyrin has antiviral, hepatoprotective, antinociceptive, anti-inflammatory, it retard acute inflammation in rat model of periodontitis.
Seneciphylline
TN1078CAS 480-81-9
Seneciphylline, one of the hepatotoxic pyrolizidine alkaloids, has mutagenic activity in Drosophila and their transfer into rat milk.Seneciphylline can signific...
2-Hydroxy-1-Methoxyaporphine
TN1210CAS 33770-27-3
2-Hydroxy-1-Methoxyaporphine can inhibit CYP2D6 activity, it also increase the glucose consumption significantly as rosiglitazone.
8-Geranyloxypsoralen
TN1343CAS 7437-55-0
8-Geranyloxypsoralen inhibits α²-secretase (BACE1) activity in non-competitive manner, with the IC(50) values <25.0 μM, it can induce vasorelaxation on rat a...
alpha-Amyrin
TN1372CAS 638-95-9
Alpha-Amyrin is trypsin and chymotrypsin inhibitor,it has antineoplastic,it induces proliferation of human keratinocytes.Alpha-Amyrin can as a hepatomodulatory ...
alpha-Viniferin
TN1378CAS 62218-13-7
Alpha-viniferin is a prostaglandin H2 synthase inhibitor, which has anti-inflammatory, anti-oxidant, anti-arthritis, and anti-tumor activities.
Ayanin
TN1416CAS 572-32-7
Ayanin has vasorelaxant activity, it also may have the potential for use in treating allergic asthma.The IC(50) value of Ayanin (quercetin-3,7,4'-O-trimethyleth...
Chamaechromone
TN1482CAS 93413-00-4
Chamaechromone has anti-HBV and insecticidal activity. The hydroxylation of Chamaechromone is inhibited by α±-naphthoflavone, and predominantly catalyzed by r...
Corydalmine
TN1526CAS 30413-84-4
Corydalmine exhibits antibacterial activities against Staphylococcus aureus and methicillin-resistant S. aureus strains.1-Corydalmine significantly inhibits spo...
Glabrol
TN1691CAS 59870-65-4
Glabrol is a PTP1B inhibitor, it is also a CYP1B1 inhibitor, it shows inhibition of CYP1B1 in live cell assay with the IC50 value of 15uM.
Glycycoumarin
TN1702CAS 94805-82-0
Glycycoumarin is an estrogen agonist, it shows moderate inhibitory effects against CYP1A2 and CYP2B6.
Humantenirine
TN1748CAS 82375-30-2
Standard reference
Kahweol
TN1828CAS 6894-43-5
Kahweol has anticarcinogenic, anti-angiogenic,and anti-inflammatory activities, it can block the LPS-induced activation of NF-kappaB by preventing IkappaB degra...
Lasiodin
TN1854CAS 28957-08-6
Lasiokaurin has anti-oxidative, and antineoplastic activities, it also shows antibacterial activity, esp. against Sarcina lutea.
Resveratroloside
TN2144CAS 38963-95-0
Resveratroloside has cardioprotective effect, it exhibits α±-glucosidase inhibitory activity, it also can inhibit hydroxylation of testosterone by CYP3A4.
Retrorsine
TN2147CAS 480-54-6
Retrorsine selectively inhibits hepatocyte proliferation and following liver injury evokes small hepatocyte-like progenitor cells.
Saponarin
TN2179CAS 20310-89-8
Saponarin shows in vitro and in vivo hepatoprotective and antioxidant activity against CCl4-induced liver damage.
2,3',4,6-Tetrahydroxybenzophenone
TN2687CAS 26271-33-0
2,3',4,6-Tetrahydroxybenzophenone possesses significant antioxidant activity.
5,6,7-Trimethoxycoumarin
TN3080CAS 55085-47-7
5,6,7-Trimethoxycoumarin shows moderate inhibitory activity against Micrococcus luteus, it also displays an intermediate cytotoxic effects against brine shrimp ...
6',7'-Dihydroxybergamottin
TN3147CAS 264234-05-1
6',7'-Dihydroxybergamottin(DHB), a well-known inhibitor of CYP3A4, the inhibition of CYP3A4 activity by DHB includes the inhibition of POR activity, DHB can inh...
8alpha-(2-Methylacryloyloxy)hirsutinolide 13-O-acetate
TN3294CAS 67667-71-4
8alpha-(2-Methylacryloyloxy)hirsutinolide 13-O-acetate shows inhibitory activity toward CYP2A6 and MAO-A and MAO-B enzymes.
8alpha-Tigloyloxyhirsutinolide 13-O-acetate
TN3300CAS 83182-58-5
8alpha-Tigloyloxyhirsutinolide 13-O-acetate shows inhibitory activity toward CYP2A6 and MAO-A and MAO-B enzymes. 8alpha-Tigloyloxyhirsutinolide 13-O-acetate has...
Allocryptopine
TN3379CAS 24240-04-8
Allocryptopine has certain effects on anti-injury for hepatocyte, ameliorating liver function, and prohibiting hepatic fibrosis; it increases mRNA levels of cyt...
Canadine
TN3574CAS 5096-57-1
Canadine has antioxidant activity with low-toxic effect.
Chalepensin
TN3627CAS 13164-03-9
Chalepensin behaves as an energy transfer inhibitor at low concentration, it inhibits multiple P450s and that epoxidation activity is crucial for the potential ...
Dipterocarpol
TN3875CAS 471-69-2
Dipterocarpol is a dammarane-type triterpenoid, as are the major bioactive compounds of ginseng. Dipterocarpol A shows moderate acetylcholinesterase inhibitory ...
Germacrone 4,5-epoxide
TN4130CAS 92691-35-5
(4S,5S)-(+)-Germacrone-4,5-epoxide inhibits certain subtypes of cytochrome P450 (CYP).
Isocupressic acid
TN4277CAS 1909-91-7
Isocupressic acid induces abortion in pregnant cows when ingested primarily during the last trimester, it decrease affects the angiogenesis of the female reprod...
Lecanoric acid
TN4424CAS 480-56-8
Lecanoric acid shows antioxidant activity with an IC50 value of 79-95 ug/ml, it at 100 ug/ml conc. shows high growth stimulating activity in terms of increased ...
Licopyranocoumarin
TN4435CAS 117038-80-9
Licopyranocoumarin could as a potent neuroprotective drug via markedly blocked MPP+-induced neuronal PC12D cell death and disappearance of mitochondrial membran...
Pisatin
TN4800CAS 20186-22-5
Pisatin is an isoflavonoid phytoalexin synthesized by pea (Pisum sativum L.).
Rutacridone
TN4928CAS 17948-33-3
Rutacridone has mutagenicity.
Zederone
TN5278CAS 7727-79-9
Zederone has anti-bacterial activity,it inhibits gram-positive bacteria activity. Zederone induces hepatotoxicity implicated the induction of Cyps, which leads ...
(-)-Cephaeline dihydrochloride
TQ0109CAS 5853-29-2
(-)-Cephaeline (dihydrochloride) is an enantiomer of Cephaeline. Cephaeline is a selective CYP2D6 inhibitor (IC50: 121 μM).
Dihydromethysticin
TQ0191CAS 19902-91-1
Dihydromethysticin is one kavalactone found in Piper methysticum. It has marked activity on the induction of CYP3A23.
Gomisin G
TQ0217CAS 62956-48-3
Gomisin G is a natural compound and exhibits potent anti-HIV activity (EC50: 0.006 μg/mL; therapeutic index: 300). It is a good substrate of CYP2C9.
Methysticin
TQ0276CAS 20697-20-5
Methysticin, a major kavalactone extracted from kava, can induce CYP1A1.
N-Nornuciferine
TQ0296CAS 4846-19-9
N-Nornuciferine, an aporphine alkaloid in lotus leaf, significantly inhibits CYP2D6 (IC50: 3.76 μM, Ki: 2.34 μM).