Compound Detail

CHEMBL492333

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COC(=O)[C@H]1CCCCN1C(=O)[C@H](Cc1cccc(C(=N)N)c1)NS(=O)(=O)c1cccc(NC(=O)CCN)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL492333
Phase	Preclinical
Structure Type	MOL
InChI Key	DFJXDNJQGLNAPO-FCHUYYIVSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

558.7

MW (Da)

0.70

ALogP

HBA

HBD

197.8

PSA (Å²)

0.15

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 5 meas. best 7.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Coagulation factor X CHEMBL244	Ki	7.0	7.0	100.0	1
Suppressor of tumorigenicity 14 protein CHEMBL3018	Ki	7.0	7.0	100.0	1
Plasminogen CHEMBL1801	Ki	5.31	5.31	4900.0	1
Prothrombin CHEMBL204	Ki	4.62	4.62	24200.0	1
Urokinase-type plasminogen activator CHEMBL3286	Ki	4.12	4.12	76000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Suppressor of tumorigenicity 14 protein	Ki	=	100.0	nM	7.0	Inhibition of matriptase	19250826
Coagulation factor X	Ki	=	100.0	nM	7.0	Inhibition of factor 10a	19250826
Plasminogen	Ki	=	4900.0	nM	5.31	Inhibition of plasmin	19250826
Prothrombin	Ki	=	24200.0	nM	4.62	Inhibition of thrombin	19250826
Urokinase-type plasminogen activator	Ki	=	76000.0	nM	4.12	Inhibition of uPA	19250826

PubMed	DOI	Target Context	# Activities
19250826	10.1016/j.bmcl.2009.02.047	Urokinase-type plasminogen activator	1
19250826	10.1016/j.bmcl.2009.02.047	Plasminogen	1
19250826	10.1016/j.bmcl.2009.02.047	Suppressor of tumorigenicity 14 protein	1
19250826	10.1016/j.bmcl.2009.02.047	Coagulation factor X	1
19250826	10.1016/j.bmcl.2009.02.047	Prothrombin	1

Data from ChEMBL 36 via Core Engine