Compound Detail

CHEMBL2431818

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Oc1ccc(Cc2nnc3ccc(-c4ccc(F)cc4)nn23)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2431818
Phase	Preclinical
Structure Type	MOL
InChI Key	OEDWCZQOHLVVLK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

320.3

MW (Da)

3.23

ALogP

HBA

HBD

63.3

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 6.42

Ki 2 meas. best 6.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Hepatocyte growth factor receptor CHEMBL3717	Ki	6.7	6.6	200.0	2
Hepatocyte growth factor receptor CHEMBL3717	IC50	6.42	6.15	380.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Hepatocyte growth factor receptor	Ki	=	200.0	nM	6.7	Inhibition of c-Met (unknown origin) using poly Glu-Tyr as substrate preincubate...	34141080
Hepatocyte growth factor receptor	Ki	=	316.0	nM	6.5	Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) usin...	23944843
Hepatocyte growth factor receptor	IC50	=	380.0	nM	6.42	Inhibition of c-MET in human SNU-5 cells measured after 6 hrs by steady-glo luci...	34141080
Hepatocyte growth factor receptor	IC50	=	1310.0	nM	5.88	Inhibition of c-Met autophosphorylation in human A549 cells after 1 hr by ELISA	23944843

PubMed	DOI	Target Context	# Activities
23944843	10.1021/jm400926x	Hepatocyte growth factor receptor	2
34141080	10.1021/acsmedchemlett.1c00094	Hepatocyte growth factor receptor	2
34141080	10.1021/acsmedchemlett.1c00094	ADMET	2

Data from ChEMBL 36 via Core Engine