Compound Detail

CHEMBL590799

CAMOSTAT

🧪 Phase III

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🧪 Phase III

CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL590799
Name	CAMOSTAT
Phase	Phase III
Structure Type	MOL
InChI Key	XASIMHXSUQUHLV-UHFFFAOYSA-N

Known Names

Camostat

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

398.4

MW (Da)

1.39

ALogP

HBA

HBD

134.8

PSA (Å²)

0.28

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

USAN Stem

-stat

Extended Properties

Molecular Formula	C20H22N4O5
MW	398.42
Aromatic Rings	2
Heavy Atoms	29
NP-Likeness	-0.88

Indications

Hemorrhage Severe Acute Respiratory Syndrome Severe Acute Respiratory Syndrome

ATC Classification

B02AB04

camostat

Level 1: BLOOD AND BLOOD FORMING ORGANS

Level 2: ANTIHEMORRHAGICS

Activity Summary

IC50 16 meas. best 8.8

EC50 3 meas. best 8.3

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Trypsin CHEMBL2095204	IC50	8.8	8.63	1.6	2
Transmembrane protease serine 2 CHEMBL1795140	IC50	8.41	8.41	3.9	1
Serine protease 1 CHEMBL209	IC50	8.34	8.34	4.6	1
Middle East respiratory syndrome-related coronavirus CHEMBL4296578	EC50	8.3	8.3	5.0	1
SARS-CoV-2 CHEMBL4303835	IC50	8.09	6.895	8.2	4
Serine protease hepsin CHEMBL2079849	IC50	7.54	7.54	29.0	1
SARS-CoV-2 CHEMBL4303835	EC50	6.16	6.16	700.0	1
Prothrombin CHEMBL204	IC50	6.11	6.11	780.0	1
Transmembrane protease serine 2 CHEMBL1795140	EC50	6.0	6.0	1000.0	1
Multidrug and toxin extrusion protein 1 CHEMBL1743126	IC50	5.54	5.54	2900.0	1
Procathepsin L CHEMBL3837	IC50	5.0	5.0	10000.0	1
SARS-CoV CHEMBL4303836	IC50	5.0	5.0	10000.0	1
Multidrug and toxin extrusion protein 2 CHEMBL1743127	IC50	4.9	4.9	12700.0	1
Solute carrier family 22 member 2 CHEMBL1743122	IC50	4.78	4.78	16500.0	1
Hepatocyte growth factor activator CHEMBL3351190	IC50	4.5	4.5	32000.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
AUC	251.2	-	Chlorocebus sabaeus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Trypsin	IC50	=	1.6	nM	8.8	Inhibition Assay: The compound was dissolved in dimethyl sulfoxide (DMSO), and d...	-
Trypsin	IC50	=	3.5	nM	8.46	Inhibition of trypsin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate pr...	31103899
Transmembrane protease serine 2	IC50	=	3.9	nM	8.41	Inhibition of human TMPRSS2	37981443
Serine protease 1	IC50	=	4.6	nM	8.34	Inhibition Assay: The compound was dissolved in dimethyl sulfoxide (DMSO), and d...	-
Middle East respiratory syndrome-related coronavirus	EC50	=	5.0	nM	8.3	Antiviral activity against MERS-CoV infected in human Calu-3 cells assessed as i...	37597435
SARS-CoV-2	IC50	=	8.21	nM	8.09	Anti-SARS-CoV-2 activity against SARS-CoV-2 NRC-03-nhCoV infected in human Calu-...	39004019
Serine protease hepsin	IC50	=	29.0	nM	7.54	Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 resid...	29701962
SARS-CoV-2	IC50	=	40.0	nM	7.4	Antiviral activity against SARS-COV 2 infected in human Calu-3 cells assessed as...	34273661
SARS-CoV-2	EC50	=	700.0	nM	6.16	Antiviral activity against pseudovirus SARS-CoV-2 assessed as reduction in viral...	36857133
Prothrombin	IC50	=	780.0	nM	6.11	Inhibition of thrombin (unknown origin) using Boc-Val-Pro-Arg-AMC as substrate p...	31103899
SARS-CoV-2	IC50	=	820.0	nM	6.09	Antiviral activity against SARS-COV 2 infected in human Calu-3 cells assessed as...	34273661
Transmembrane protease serine 2	EC50	=	1000.0	nM	6.0	Inhibition of human TMPRSS2-mediated SARS-CoV-2 entry into human Caco-2 cells	32845145
SARS-CoV-2	IC50	=	1000.0	nM	6.0	Antiviral activity against SARS-CoV-2 B.1.1.7 infected in human Calu-3 cells ass...	37284689
Multidrug and toxin extrusion protein 1	IC50	=	2900.0	nM	5.54	Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1...	23241029
SARS-CoV	IC50	=	10000.0	nM	5.0	Antiviral activity against SARS-CoV infected in HeLa cells expressing human TMPR...	33486200
Procathepsin L	IC50	=	10000.0	nM	5.0	Inhibition of human recombinant Cathepsin L assessed as Kinact using Z-FR-AMC as...	32539378
Multidrug and toxin extrusion protein 2	IC50	=	12700.0	nM	4.9	Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after ...	23241029
Solute carrier family 22 member 2	IC50	=	16500.0	nM	4.78	Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 ...	23241029
Hepatocyte growth factor activator	IC50	=	32000.0	nM	4.5	Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed ...	25882520

Literature References

PubMed	DOI	Target Context	# Activities
34273661	10.1016/j.ejmech.2021.113683	ADMET	6
37468498	10.1038/s41467-023-40064-9	Alpha-1A adrenergic receptor	6
34273661	10.1016/j.ejmech.2021.113683	SARS-CoV-2	5
37468498	10.1038/s41467-023-40064-9	Androgen receptor	4
37468498	10.1038/s41467-023-40064-9	5-hydroxytryptamine receptor 1A	4
-	10.6019/CHEMBL4651402	SARS-CoV-2	4
37468498	10.1038/s41467-023-40064-9	5-hydroxytryptamine receptor 2B	4
36893626	10.1016/j.ejmech.2023.115227	Genome polyprotein	4
37468498	10.1038/s41467-023-40064-9	Alpha-2A adrenergic receptor	4
37468498	10.1038/s41467-023-40064-9	Progesterone receptor	4
37468498	10.1038/s41467-023-40064-9	Muscarinic acetylcholine receptor M2	4
37468498	10.1038/s41467-023-40064-9	Mu-type opioid receptor	3
32353859	10.1038/s41586-020-2286-9	SARS-CoV-2	3
37468498	10.1038/s41467-023-40064-9	D(1A) dopamine receptor	3
37468498	10.1038/s41467-023-40064-9	Muscarinic acetylcholine receptor M1	3
37468498	10.1038/s41467-023-40064-9	Thromboxane A2 receptor	3
37468498	10.1038/s41467-023-40064-9	Prostaglandin G/H synthase 1	3
37468498	10.1038/s41467-023-40064-9	5-hydroxytryptamine receptor 2A	3
33486200	10.1016/j.ejmech.2021.113157	SARS-CoV	3
37468498	10.1038/s41467-023-40064-9	Gamma-aminobutyric acid receptor subunit alpha-1	3

Data from ChEMBL 36 via Core Engine