Compound Detail

CHEMBL527066

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

Nc1cc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL527066
Phase	Preclinical
Structure Type	MOL
InChI Key	USBSTVPJNQLYEM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

398.4

MW (Da)

3.63

ALogP

HBA

HBD

106.3

PSA (Å²)

0.61

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 7.46

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Hepatocyte growth factor receptor CHEMBL3717	IC50	7.46	7.46	35.0	2
NON-PROTEIN TARGET CHEMBL3879801	IC50	6.54	6.54	290.0	1

Parameter	Value	Units	Species
AUC	13146.21	ng.hr.mL-1	Mus musculus
Cmax	10500.0	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	=	35.0	nM	7.46	Inhibition of Met kinase	18479916
Hepatocyte growth factor receptor	IC50	=	35.0	nM	7.46	Inhibition of human c-MET	21641696
NON-PROTEIN TARGET	IC50	=	290.0	nM	6.54	Antiproliferative activity against human GTL16 cells	18479916

PubMed	DOI	Target Context	# Activities
18479916	10.1016/j.bmcl.2008.04.047	NON-PROTEIN TARGET	4
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	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