Compound Detail

CHEMBL357079

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NC(N)c1ccc(/C=C2\CCCC/C(=C\c3ccc(C(N)N)cc3)C2=O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL357079
Phase	Preclinical
Structure Type	MOL
InChI Key	HCISEPPUWNHOJL-IWGRKNQJSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

376.5

MW (Da)

3.13

ALogP

HBA

HBD

121.2

PSA (Å²)

0.37

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 5 meas. best 7.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Coagulation factor X CHEMBL3656	Ki	7.89	7.89	13.0	1
Tissue-type plasminogen activator CHEMBL1873	Ki	7.46	7.46	35.0	1
Serine protease 1 CHEMBL3769	Ki	7.05	7.05	90.0	1
Prothrombin CHEMBL4471	Ki	6.5	6.5	320.0	1
Urokinase-type plasminogen activator CHEMBL3286	Ki	5.47	5.47	3400.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Coagulation factor X	Ki	=	13.0	nM	7.89	Inhibitory activity against bovine coagulation factor X expressed as dissociatio...	9876114
Tissue-type plasminogen activator	Ki	=	35.0	nM	7.46	Inhibitory activity against human tissue-type plasminogen activator expressed as...	9876114
Serine protease 1	Ki	=	90.0	nM	7.05	Inhibitory activity against bovine trypsin expressed as dissociation constant	9876114
Prothrombin	Ki	=	320.0	nM	6.5	Inhibitory activity against bovine thrombin expressed as dissociation constant	9876114
Urokinase-type plasminogen activator	Ki	=	3400.0	nM	5.47	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