Compound Detail

CHEMBL503090

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O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL503090
Phase	Preclinical
Structure Type	MOL
InChI Key	BMPOCDJEXAXXEZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

422.4

MW (Da)

4.52

ALogP

HBA

HBD

96.1

PSA (Å²)

0.44

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 6.96

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Hepatocyte growth factor receptor CHEMBL3717	IC50	6.96	6.96	110.0	2
NON-PROTEIN TARGET CHEMBL3879801	IC50	6.82	6.82	150.0	1

Parameter	Value	Units	Species
AUC	2534.34	ng.hr.mL-1	Mus musculus
Cmax	2400.0	nM	Mus musculus
Tmax	4.0	hr	Mus musculus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Hepatocyte growth factor receptor	IC50	=	110.0	nM	6.96	Inhibition of Met kinase	18479916
Hepatocyte growth factor receptor	IC50	=	110.0	nM	6.96	Inhibition of human c-MET	21641696
NON-PROTEIN TARGET	IC50	=	150.0	nM	6.82	Antiproliferative activity against human GTL16 cells	18479916

PubMed	DOI	Target Context	# Activities
18479916	10.1016/j.bmcl.2008.04.047	Mus musculus	3
18479916	10.1016/j.bmcl.2008.04.047	Hepatocyte growth factor receptor	1
18479916	10.1016/j.bmcl.2008.04.047	NON-PROTEIN TARGET	1
18479916	10.1016/j.bmcl.2008.04.047	Liver microsomes	1
18479916	10.1016/j.bmcl.2008.04.047	ADMET	1
21641696	10.1016/j.ejmech.2011.05.031	Hepatocyte growth factor receptor	1

Data from ChEMBL 36 via Core Engine