Compound Detail

CHEMBL273264

NAFAMOSTAT

🧪 Phase III

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

Research home View demo workspace

🧪 Phase III

N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL273264
Name	NAFAMOSTAT
Phase	Phase III
Structure Type	MOL
InChI Key	MQQNFDZXWVTQEH-UHFFFAOYSA-N

Known Names

Nafamostat

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

347.4

MW (Da)

2.65

ALogP

HBA

HBD

138.1

PSA (Å²)

0.21

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Flags

Natural Product

USAN Stem	-stat
USAN Year	1992

Extended Properties

Molecular Formula	C19H17N5O2
MW	347.38
Aromatic Rings	3
Heavy Atoms	26
NP-Likeness	-0.39

Indications

Acute Kidney Injury Severe Acute Respiratory Syndrome

Activity Summary

IC50 29 meas. best 9.3

Ki 9 meas. best 10.7

EC50 6 meas. best 8.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Suppressor of tumorigenicity 14 protein CHEMBL3018	Ki	10.7	10.7	0.0	2
Transmembrane protease serine 2 CHEMBL1795140	IC50	9.3	9.15	0.5	2
Serine protease hepsin CHEMBL2079849	Ki	9.28	9.28	0.5	2
Serine protease hepsin CHEMBL2079849	IC50	8.3	8.3	5.0	1
SARS-CoV-2 CHEMBL4303835	EC50	8.0	5.394	10.0	5
Unchecked CHEMBL612545	Ki	7.8	7.8	16.0	1
Serine protease 1 CHEMBL209	IC50	7.77	7.735	17.0	2
Serine protease 1 CHEMBL3769	IC50	7.77	7.77	17.0	1
Hepatocyte growth factor activator CHEMBL3351190	Ki	7.6	7.6	25.0	2
Complement C1s subcomponent CHEMBL3913	IC50	7.54	7.195	29.0	2
Coagulation factor XII CHEMBL2821	Ki	6.98	6.98	105.0	1
Hepatocyte growth factor activator CHEMBL3351190	IC50	6.82	6.82	150.0	1
Plasminogen CHEMBL1801	IC50	6.62	6.08	240.0	2
Prothrombin CHEMBL204	IC50	6.54	6.13	290.0	2
Plasminogen CHEMBL1801	Ki	6.39	6.39	410.0	1
Hepatocyte growth factor activator CHEMBL3351190	EC50	6.31	6.31	490.0	1
Kallikrein-1 CHEMBL2319	IC50	6.19	6.19	650.0	1
Complement C1r subcomponent CHEMBL4611	IC50	6.1	5.2889	800.0	9
Integrin alpha-IIb/beta-3 CHEMBL2093869	IC50	4.92	4.91	12000.0	2
Unchecked CHEMBL612545	IC50	4.85	4.815	14000.0	2
Coagulation factor X CHEMBL244	IC50	4.68	4.68	21100.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
AUC	302.4	-	Chlorocebus sabaeus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Suppressor of tumorigenicity 14 protein	Ki	=	0.02	nM	10.7	Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluo...	25408834
Suppressor of tumorigenicity 14 protein	Ki	=	0.02	nM	10.7	Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubate...	25882520
Transmembrane protease serine 2	IC50	=	0.5	nM	9.3	Inhibition of human TMPRSS2	37981443
Serine protease hepsin	Ki	=	0.53	nM	9.28	Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate...	25408834
Serine protease hepsin	Ki	=	0.53	nM	9.28	Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mi...	25882520
Transmembrane protease serine 2	IC50	=	1.0	nM	9.0	Inhibition of TMPRSS2 (unknown origin) using Boc-Gln-Ala-Arg-AMC as peptide subs...	38967785
Serine protease hepsin	IC50	=	5.0	nM	8.3	Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 resid...	29701962
SARS-CoV-2	EC50	=	10.0	nM	8.0	Antiviral activity against SARS-CoV-2 infected in African green monkey Vero cell...	38967785
Unchecked	Ki	=	16.0	nM	7.8	Inhibition of bovine trypsin using chromogenic substrate by Lineweaver-Burk anal...	32883641
Serine protease 1	IC50	=	17.0	nM	7.77	In vitro for inhibition of purified bovine trypsin.	10206542
Serine protease 1	IC50	=	17.0	nM	7.77	The compound was evaluated to inhibit trypsin and is expressed in IC50 (The conc...	9544206
Serine protease 1	IC50	=	20.0	nM	7.7	Compound was evaluated for inhibitory activity against Trypsin.	-
Hepatocyte growth factor activator	Ki	=	25.0	nM	7.6	Inhibition of recombinant HGFA (unknown origin) using Boc-QLR-AMC as substrate b...	25408834
Hepatocyte growth factor activator	Ki	=	25.0	nM	7.6	Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed ...	25882520
Complement C1s subcomponent	IC50	=	29.0	nM	7.54	Inhibition of human serum C1s using AGLME as substrate after 30 mins	28977749
Coagulation factor XII	Ki	=	105.0	nM	6.98	Inhibition of human factor 12a using chromogenic substrate by Lineweaver-Burk an...	32883641
Complement C1s subcomponent	IC50	=	140.0	nM	6.85	Compound was evaluated for inhibitory activity against C1s serine protease.	-
Hepatocyte growth factor activator	IC50	=	150.0	nM	6.82	Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed ...	25882520
Plasminogen	IC50	=	240.0	nM	6.62	Compound was evaluated for inhibitory activity against plasmin.	-
Prothrombin	IC50	=	290.0	nM	6.54	Compound was evaluated for inhibitory activity against Thrombin.	-

Literature References

PubMed	DOI	Target Context	# Activities
-	10.1016/0960-894X(96)00094-7	Complement C1r subcomponent	4
32353859	10.1038/s41586-020-2286-9	SARS-CoV-2	3
37468498	10.1038/s41467-023-40064-9	Cannabinoid receptor 1	2
25882520	10.1016/j.bmc.2015.03.072	Hepatocyte growth factor activator	2
25408834	10.1021/ml500254r	Hepatocyte growth factor activator	2
37468498	10.1038/s41467-023-40064-9	Nuclear receptor subfamily 1 group I member 2	2
37468498	10.1038/s41467-023-40064-9	Muscarinic acetylcholine receptor M2	2
32353859	10.1038/s41586-020-2286-9	Vero C1008	2
37468498	10.1038/s41467-023-40064-9	Gamma-aminobutyric acid receptor subunit alpha-1	2
37468498	10.1038/s41467-023-40064-9	5-hydroxytryptamine receptor 2B	2
9544206	10.1021/jm970394d	Complement C1r subcomponent	2
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
10206542	10.1016/s0960-894x(99)00095-5	Complement C1r subcomponent	2
37468498	10.1038/s41467-023-40064-9	Alpha-2A adrenergic receptor	2
37468498	10.1038/s41467-023-40064-9	5-hydroxytryptamine receptor 2A	2
36857133	10.1021/acs.jmedchem.2c01229	SARS-CoV-2	2
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
37468498	10.1038/s41467-023-40064-9	Alpha-1A adrenergic receptor	2
10669559	10.1021/jm990412m	Unchecked	1
37981443	10.1016/j.ejmech.2023.115923	Transmembrane protease serine 2	1

Data from ChEMBL 36 via Core Engine