Compound Detail

CHEMBL348266

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Cc1ccc(S(=O)(=O)NC(Cc2cccc(C(N)N)c2)C(=O)N2CCCCC2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL348266
Phase	Preclinical
Structure Type	MOL
InChI Key	UHXFBNSWVMZPBK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

430.6

MW (Da)

1.81

ALogP

HBA

HBD

118.5

PSA (Å²)

0.58

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 5 meas. best 6.47

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Prothrombin CHEMBL4471	Ki	6.47	6.47	340.0	1
Serine protease 1 CHEMBL3769	Ki	5.92	5.92	1200.0	1
Coagulation factor X CHEMBL3656	Ki	4.82	4.82	15000.0	1
Urokinase-type plasminogen activator CHEMBL3286	Ki	4.26	4.26	55000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Prothrombin	Ki	=	340.0	nM	6.47	Inhibitory activity against bovine thrombin expressed as dissociation constant	9876114
Serine protease 1	Ki	=	1200.0	nM	5.92	Inhibitory activity against bovine trypsin expressed as dissociation constant	9876114
Coagulation factor X	Ki	=	15000.0	nM	4.82	Inhibitory activity against bovine coagulation factor X expressed as dissociatio...	9876114
Urokinase-type plasminogen activator	Ki	=	55000.0	nM	4.26	Inhibitory activity against human urokinase plasminogen activator expressed as d...	9876114

PubMed	DOI	Target Context	# Activities
9876114	10.1021/jm981068g	Serine protease 1	1
9876114	10.1021/jm981068g	Coagulation factor X	1
9876114	10.1021/jm981068g	Prothrombin	1
9876114	10.1021/jm981068g	Tissue-type plasminogen activator	1
9876114	10.1021/jm981068g	Urokinase-type plasminogen activator	1

Data from ChEMBL 36 via Core Engine