Compound Detail

CHEMBL2170957

Enter ChEMBL ID:

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

Oc1ccc(Cc2nnc3ncc(-c4ccc(F)cc4)nn23)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2170957
Phase	Preclinical
Structure Type	MOL
InChI Key	NBRHZLRAQNRJSZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

321.3

MW (Da)

2.62

ALogP

HBA

HBD

76.2

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 8.15

Ki 2 meas. best 7.96

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Hepatocyte growth factor receptor CHEMBL3717	IC50	8.15	7.825	7.0	2
Hepatocyte growth factor receptor CHEMBL3717	Ki	7.96	7.59	11.0	2

Parameter	Value	Units	Species
CL	25.6	mL.min-1.g-1	Homo sapiens

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Hepatocyte growth factor receptor	IC50	=	7.0	nM	8.15	Antagonist activity at c-MET receptor in human A549 cells assessed as inhibition...	22924734
Hepatocyte growth factor receptor	Ki	=	11.0	nM	7.96	Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to...	22924734
Hepatocyte growth factor receptor	IC50	=	32.0	nM	7.5	Inhibition of c-MET in human SNU-5 cells measured after 6 hrs by steady-glo luci...	34141080
Hepatocyte growth factor receptor	Ki	=	60.0	nM	7.22	Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubate...	34141080

PubMed	DOI	Target Context	# Activities
22924734	10.1021/jm300967g	Hepatocyte growth factor receptor	2
34141080	10.1021/acsmedchemlett.1c00094	Hepatocyte growth factor receptor	2
34141080	10.1021/acsmedchemlett.1c00094	ADMET	2
22924734	10.1021/jm300967g	Hepatocyte	1
22924734	10.1021/jm300967g	Liver microsomes	1

Data from ChEMBL 36 via Core Engine