Anti-COVID-19 Compound Library

Catalog No. L1710

Library Compound List Excel SDF

In response to the outbreak of COVID-19 caused by a novel coronavirus SARS-CoV-2, global scientific research institutions and pharmaceutical companies are stepping up related vaccine development and antiviral drug trials. Scientists from multiple countries are working hard to identify drug candidates that can be used for clinical therapy to patients with COVID-19 by screening compound libraries. TargetMol as a drug screening expert quickly generated this compound library to support the research and development of anti-COVID-19 drugs.

This compound library includes Part1 and Part2. Part1 contains compounds that have been demonstrated to have anti-coronavirus activity or are broad-spectrum antiviral agents including Remdesivir, Lopinavir/Ritonavir, Chloroquine diphosphate (combination use with Remdesivir), Polydatin (bind with Mpro), etc. Part2 collects compounds from virtual screening hits based on molecular docking. These compounds with high-affinity to 7 SARS-CoV-2 protein targets (RBD of Spike protein, viral papain like protease (PLpro), main protease (3CLpro, also named 3-chymotrypsin-like protease), RNA-dependent RNA polymerase (RdRp), nsp16 (2′-O-methyltransferase, helicase), nsp15, and X-domain.) and 1 human ACE2 have the potential to provide more drug candidates for molecular and cellular antiviral activity assays.

As a world-renowned supplier of small molecular compounds, TargetMol immediately after the outbreak of COVID-19 performed a Swiss-Model Homology Modelling process to generate reliable protein models or 3D protein structures of these related drug targets. Then structure-based virtual screening was performed against TargetMol libraries (7729 compounds) and Bioactive compound library (7647 compounds) by using Surflex-Dock in the Sybyl-X 2.0 package. Having anti-COVID-19 CADD activity from virtual screening formed Part2 of this compound library. We wish these compounds would speed up the development of COVID-19 targeted drugs. We also will keep updating it in response to the newest research progress.

All products from TargetMol are for Research Use Only. Not for Human or Veterinary or Therapeutic Use.

Pack Size
30 μL * 10 mM (in DMSO)
50 μL * 10 mM (in DMSO)
100 μL * 10 mM (in DMSO)
250 μL * 10 mM (in DMSO)

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If the above compound libraries do not match your needs,
please contact our compound library specialist for a customized compound library at inquiry@targetmol.com

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Product Description

A unique collection of 1160 compounds with confirmed anti-SARS-CoV-2 activity or potential activity and part of them are broad-spectrum antiviral agents；
Compounds contain Remdesivir, Lopinavir/Ritonavir, Chloroquine diphosphate (combination use with Remdesivir), Polydatin (bind with Mpro), etc.；
Detailed compound information with structure, target, and biological activity description；
NMR and HPLC/LCMS validated to ensure high purity and quality.

Library Customization

Targetmol Compound Libraries can be highly customized! Learn More

Packaging And Storage

Powder or pre-dissolved DMSO solutions in 96/384 well plate with optional 2D barcode
Shipped with blue ice

Supporting Files

Library Handling Instructions (635 KB) Targetmol Library Catalog (13.2 MB) Request for Library Compostion in Excel and SDF files

Publications Cited TargetMol Libraries

1. Pharmacology & Therapeutics. (2021): 107930. 2. Cell Stem Cell. 2022 Apr 29(4) 545–558. 3. Science Bulletin. 2022. 4. Science Translational Medicine. 2022, 14(656): eabn3231. 5. Science Advances. 2023, 9(9): eade3760. 6. Nature. 2020, 582: 289-293. 7. Nature Biotechnology. 2021, 39(11): 1444-1452. 8. Nature Communications. 2022, 13(1): 1-15.. 9. Nature Communications. 2023, 14(1): 1020..

10. Nature Communications. 2023, 14(1): 2756.. 11. Blood. 2021, 137(11): 1478-1490. 12. Nucleic Acids Research. 2021. 13. Nature Communications. 2023, 14(1): 7574. 14. Advanced Science. 2020, 7(16): 2000925. 15. Angewandte Chemie. 2021. 16. Acta Pharmaceutica Sinica B. 2022. 17. Protein & Cell. 2021, 12(11): 877-888. 18. Bone Research. 2023, 11(1): 54. 19. Nature Communications. 2021, 12(1): 1-12. 20. Journal of Cell Biology. 2022, 221(5): e202112024.

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Library Composition

Autophagy (169)

Endogenous Metabolite (141)

Apoptosis (139)

Antibacterial (101)

Antibiotic (87)

HIV Protease (84)

DNA/RNA Synthesis (49)

Influenza Virus (47)

HCV Protease (32)

Parasite (31)

Adrenergic Receptor (31)

Reactive Oxygen Species (30)

SARS-CoV (29)

Reverse Transcriptase (28)

Potassium Channel (27)

HBV (27)

Calcium Channel (27)

HSV (25)

5-HT Receptor (24)

Antifungal (24)

Ferroptosis (24)

COX (23)

RAAS (23)

P450 (23)

NF-κB (23)

PI3K (20)

AChR (19)

Mitophagy (19)

Nucleoside Antimetabolite/Analog (19)

Antioxidant (19)

Histamine Receptor (19)

VEGFR (18)

Dopamine Receptor (18)

Histone Methyltransferase (17)

Dehydrogenase (16)

Virus Protease (16)

Antiviral (15)

Prostaglandin Receptor (15)

Antifection (14)

Sodium Channel (14)

c-Kit (14)

PDE (14)

Epigenetic Reader Domain (13)

CCR (13)

EGFR (12)

FLT (12)

PKC (12)

Topoisomerase (12)

TNF (12)

PDGFR (12)

Proteasome (11)

HDAC (11)

ribosome (11)

mTOR (10)

CDK (10)

PPAR (10)

Phosphatase (9)

JAK (9)

Akt (9)

Src (8)

TLR (8)

AMPK (8)

Caspase (8)

Adenosine Receptor (8)

c-Met/HGFR (7)

FGFR (7)

STAT (7)

Raf (7)

Phospholipase (6)

HMG-CoA Reductase (6)

Wnt/beta-catenin (6)

Estrogen Receptor/ERR (6)

Transferase (6)

Opioid Receptor (6)

Integrin (6)

BCL (6)

Tyrosine Kinases (6)

Antifolate (6)

MMP (6)

ATPase (6)

TAM Receptor (6)

Tyrosinase (5)

GSK-3 (5)

Microtubule Associated (5)

iGluR (5)

TGF-beta/Smad (5)

MEK (5)

Sirtuin (5)

P2Y Receptor (5)

p38 MAPK (5)

Ras (5)

P-gp (5)

Gamma-secretase (5)

Glucocorticoid Receptor (5)

Interleukin (5)

GABA Receptor (5)

DHFR (5)

Bcr-Abl (5)

Estrogen/progestogen Receptor (5)

ERK (5)

AChE (5)

Carbonic Anhydrase (4)

c-RET (4)

HSP (4)

MRP (4)

Reductase (4)

TRP/TRPV Channel (4)

Thrombin (4)

IGF-1R (4)

Serine/threonin kinase (4)

NMDAR (4)

ROS (3)

JNK (3)

CXCR (3)

Lipoxygenase (3)

NO Synthase (3)

Rho (3)

Drug Metabolite (3)

IRAK (3)

E1/E2/E3 Enzyme (3)

Beta Amyloid (3)

DNA-PK (3)

PD-1/PD-L1 (3)

Norepinephrine (3)

HIF/HIF Prolyl-Hydroxylase (3)

Cysteine Protease (3)

GluCls (3)

Glucosidase (3)

Mitochondrial Metabolism (3)

NADPH (3)

PKA (3)

DNA (3)

GPR (3)

Fatty Acid Synthase (3)

Proton pump (3)

c-Fms (3)

MAO (3)

FAAH (3)

HER (3)

NOS (3)

NAMPT (2)

Serotonin Transporter (2)

Serine Protease (2)

NOD-like Receptor (NLR) (2)

S6 Kinase (2)

PAI-1 (2)

S1P Receptor (2)

BTK (2)

Cannabinoid Receptor (2)

Casein Kinase (2)

PLK (2)

Platelet aggregation (2)

CaSR (2)

PTEN (2)

CaMK (2)

PDK (2)

CSF-1R (2)

Retinoid Receptor (2)

Chk (2)

PARP (2)

p53 (2)

P2X Receptor (2)

OX Receptor (2)

CRISPR/Cas9 (2)

Gap Junction Protein (2)

SGLT (2)

Protease-activated Receptor (2)

transporter (2)

DPP-4 (2)

Trk receptor (2)

DNA Methyltransferase (2)

ABC (2)

IκB/IKK (2)

Kinesin (2)

FAK (2)

Androgen Receptor (2)

Telomerase (2)

Hydroxylase (2)

Lipase (2)

Amino Acids and Derivatives (2)

Glutathione reductase (2)

LPL Receptor (2)

Histone Acetyltransferase (2)

lysosomal autophagy (2)

GluR (2)

Glucokinase (2)

Acetyl-CoA Carboxylase (2)

ATM/ATR (2)

IL Receptor (2)

Bombesin Receptor (1)

Bradykinin Receptor (1)

Sigma receptor (1)

RAR/RXR (1)

Adiponectin receptor (1)

Acyltransferase (1)

UGT (1)

Vasopressin Receptor (1)

VDA (1)

ACK (1)

Pyroptosis (1)

Tie-2 (1)

AhR (1)

Annexin A (1)

ASK (1)

Aromatase (1)

Stemness kinase (1)

Aurora Kinase (1)

Survivin (1)

Syk (1)

Taste receptor (1)

ALK (1)

RSV (1)

Thioredoxin (1)

Thyroid hormone receptor(THR) (1)

ROR (1)

ATP Citrate Lyase (1)

Aminopeptidase (1)

TOPK (1)

Stearoyl-CoA Desaturase (SCD) (1)

CRM1 (1)

cAMP (1)

HIF (1)

LPA Receptor (1)

Lipid (1)

LHRH (1)

Leukotriene Receptor (1)

LDL (1)

DNA gyrase (1)

IRE1 (1)

Integrase (1)

IFNAR (1)

IAP (1)

Endothelin Receptor (1)

Hedgehog/Smoothened (1)

MAPK (1)

Hck (1)

Fas/FasL (1)

Guanylate cyclase (1)

GTPase (1)

GST (1)

GPCR19 (1)

gp120/CD4 (1)

GNRH Receptor (1)

Glutathione Peroxidase (1)

Glutaminase (1)

FXR (1)

GHSR (1)

LTR (1)

Mdm2 (1)

PI4K (1)

Complement System (1)

cell cycle arrest (1)

Phosphorylase (1)

Cell wall (1)

CETP (1)

PGE Synthase (1)

PGC-1α (1)

PERK (1)

CFTR (1)

Chloride channel (1)

PAK (1)

cholecystokinin (1)

OAT (1)

Melatonin Receptor (1)

Nrf2 (1)

NPC1L1 (1)

Neurokinin receptor (1)

Neprilysin (1)

NEDD8 (1)

NADPH-oxidase (1)

Na+/Ca2+ Exchanger (1)

MT Receptor (1)

MNK (1)

Decarboxylase (1)

MLK (1)

Discoidin Domain Receptor (DDR) (1)

YAP (1)

Library Information Sample

Empty	1000025-07-9	1000413-72-8	229005-80-5	1000787-75-6	946387-07-1	1000998-59-3	1175526-27-8	1001288-58-9	1001350-96-4	1001404-83-6	Empty
Empty	Vadadustat	TAK875	TAK-779	Tegobuvir	RN-1734	BMS-687453	AM211	FT011	BMS754807	AAI101	Empty
Empty	1001625-82-6	1001645-58-4	1001753-24-7	1001908-89-9	1002304-34-8	1002-84-2	100291-86-9	100299-08-9	10030-52-1	10040-45-6	Empty
Empty	RPW-24	SRT1720 hydrochloride	INH6	SRT 2183	AMG208	Pentadecanoic acid	Apiopaeonoside	Pemirolast potassium	L-Anserine nitrate salt	Sodium Picosulfate	Empty
Empty	100427-26-7	1004316-88-4	10045-45-1	100462-37-1	1004990-28-6	100-51-6	1005-24-9	1005264-47-0	1005334-57-5	1005342-46-0	Empty
Empty	Lercanidipine	Cobicistat	1-Ethyl-2-benzimidazolinone	ROSIRIDIN	PF-AKT400	Benzyl alcohol	1-Methylnicotinamide chloride	MX69	CVT-10216	LCL161	Empty
Empty	1005491-05-3	100-55-0	1005504-62-0	1005883-72-6	100643-71-8	1007207-67-1	10075-50-0	1007647-73-5	100784-20-1	10083-24-6	Empty
Empty	Tirasemtiv	Roniacol	Rg3039	Z433927330	Desloratadine	CH5132799	5-Bromoindole	Smurf1-IN-A01	Halosulfuron-methyl	Piceatannol	Empty
Empty	100872-83-1	100874-08-6	1009119-64-5	1009119-65-6	100929-71-3	1009298-09-2	1009298-59-2	100929-99-5	1009734-33-1	10097-84-4	Empty
Empty	ML346	SB 4	Daclatasvir	Daclatasvir dihydrochloride	NADPH (tetracyclohexanamine)	AZD8055	Vistusertib	PAβN dihydrochloride	HZ1157	Rotundine	Empty
Empty	1009816-48-1	1009817-63-3	1009820-21-6	100986-85-4	101001-34-7	1010411-21-8	1010-60-2	1011244-68-0	1011301-27-1	1011529-10-4	Empty
Empty	Thiamet G	B-AP15	Silmitasertib	Levofloxacin	Pamicogrel	GSK369796 Dihydrochloride	2-Chloronaphthoquinone	TFAP	Tenovin3	Azvudine	Empty
Empty	101152-94-7	101155-02-6	1011557-82-6	1011-74-1	101-20-2	1012054-59-9	101-21-3	101-26-8	101303-98-4	1013101-36-4	Empty
Empty	Milnacipran hydrochloride	BW-A78U	Tenovin-6	DL-Normetanephrine hydrochloride	Triclocarban	CUDC101	Chlorpropham	Mestinon	Zacopride hydrochloride	PF04691502	Empty
Empty	101-31-5	1013-69-0	1013750-77-0	1013753-99-5	10138-52-0	1013920-15-4	1013937-63-7	1014691-61-2	101477-54-7	101494-95-5	Empty
Empty	L-Hyoscyamine	Noreugenin	ML-030	BC-1382	Gadolinium chloride	Vorolanib	VTP-27999 TFA	GSK0660	Lomerizine hydrochloride	8-CHLOROQUINAZOLIN-4(1H)-ONE	Empty