Compound Detail

CHEMBL377763

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CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(C(=O)NCCN)CC2)c(C(C)C)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL377763
Phase	Preclinical
Structure Type	MOL
InChI Key	TUMAXVUNGVRGFA-LJAQVGFWSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

626.9

MW (Da)

3.54

ALogP

HBA

HBD

171.5

PSA (Å²)

0.17

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 5 meas. best 6.42

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Suppressor of tumorigenicity 14 protein CHEMBL3018	Ki	6.42	6.42	380.0	1
Plasminogen CHEMBL1801	Ki	6.03	6.03	940.0	1
Urokinase-type plasminogen activator CHEMBL3286	Ki	5.92	5.92	1200.0	1
Coagulation factor X CHEMBL244	Ki	5.2	5.2	6300.0	1
Prothrombin CHEMBL204	Ki	4.8	4.8	16000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Suppressor of tumorigenicity 14 protein	Ki	=	380.0	nM	6.42	Inhibition of matriptase	16821772
Plasminogen	Ki	=	940.0	nM	6.03	Inhibition of plasmin	16821772
Urokinase-type plasminogen activator	Ki	=	1200.0	nM	5.92	Inhibition of uPA	16821772
Coagulation factor X	Ki	=	6300.0	nM	5.2	Inhibition of f10a	16821772
Prothrombin	Ki	=	16000.0	nM	4.8	Inhibition of thrombin	16821772

PubMed	DOI	Target Context	# Activities
16821772	10.1021/jm051272l	Coagulation factor X	1
16821772	10.1021/jm051272l	Urokinase-type plasminogen activator	1
16821772	10.1021/jm051272l	Suppressor of tumorigenicity 14 protein	1
16821772	10.1021/jm051272l	Plasminogen	1
16821772	10.1021/jm051272l	Prothrombin	1

Data from ChEMBL 36 via Core Engine