Compound Detail

CHEMBL499274

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N=C(N)c1cccc(CC(NS(=O)(=O)c2cccc(-c3ccc4[nH]ccc4c3)c2)C(=O)N2CCC(CCN)CC2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL499274
Phase	Preclinical
Structure Type	MOL
InChI Key	XAYFRJIEUZQYCM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

572.7

MW (Da)

3.60

ALogP

HBA

HBD

158.2

PSA (Å²)

0.14

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 6 meas. best 7.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Suppressor of tumorigenicity 14 protein CHEMBL3018	Ki	7.89	7.89	13.0	2
Coagulation factor X CHEMBL244	Ki	6.82	6.82	150.0	1
Prothrombin CHEMBL204	Ki	6.72	6.72	190.0	1
Plasminogen CHEMBL1801	Ki	6.42	6.42	380.0	1
Urokinase-type plasminogen activator CHEMBL3286	Ki	5.21	5.21	6200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Suppressor of tumorigenicity 14 protein	Ki	=	13.0	nM	7.89	Inhibition of matriptase	19036586
Suppressor of tumorigenicity 14 protein	Ki	=	13.0	nM	7.89	Inhibition Assay: Inhibition assay using matriptase enzyme	-
Coagulation factor X	Ki	=	150.0	nM	6.82	Inhibition of factor 10a	19036586
Prothrombin	Ki	=	190.0	nM	6.72	Inhibition of thrombin	19036586
Plasminogen	Ki	=	380.0	nM	6.42	Inhibition of plasmin	19036586
Urokinase-type plasminogen activator	Ki	=	6200.0	nM	5.21	Inhibition of uPA	19036586

PubMed	DOI	Target Context	# Activities
19036586	10.1016/j.bmcl.2008.11.019	Suppressor of tumorigenicity 14 protein	1
19036586	10.1016/j.bmcl.2008.11.019	Plasminogen	1
19036586	10.1016/j.bmcl.2008.11.019	Urokinase-type plasminogen activator	1
19036586	10.1016/j.bmcl.2008.11.019	Prothrombin	1
19036586	10.1016/j.bmcl.2008.11.019	Coagulation factor X	1

Data from ChEMBL 36 via Core Engine