Compound Detail

CHEMBL3823110

Enter ChEMBL ID:

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

C/C=C(/C=O)[C@@H](C=O)CC(=O)OCCc1ccc(O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3823110
Phase	Preclinical
Structure Type	MOL
InChI Key	JJJDPXQNHVTHRV-VJWXVMMXSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

290.3

MW (Da)

1.83

ALogP

HBA

HBD

80.7

PSA (Å²)

0.45

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 5.28

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Hepatocyte growth factor receptor CHEMBL3717	IC50	5.28	5.28	5200.0	1
MDA-MB-231 CHEMBL400	IC50	5.12	4.8933	7500.0	3
MDA-MB-468 CHEMBL614335	IC50	4.72	4.72	19100.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Hepatocyte growth factor receptor	IC50	=	5200.0	nM	5.28	Inhibition of recombinant human N-terminal His-tagged cytoplasmic c-MET kinase d...	27258622
MDA-MB-231	IC50	=	7500.0	nM	5.12	Antimigratory activity against human MDA-MB-231 cells expressing c-MET assessed ...	27258622
MDA-MB-231	IC50	=	15000.0	nM	4.82	Antiproliferative activity against human MDA-MB-231 cells expressing c-MET asses...	27258622
MDA-MB-231	IC50	=	18200.0	nM	4.74	Antiinvasive activity against human MDA-MB-231 cells expressing c-MET assessed a...	27258622
MDA-MB-468	IC50	=	19100.0	nM	4.72	Antiproliferative activity against human MDA-MB-468 cells expressing c-MET asses...	27258622

PubMed	DOI	Target Context	# Activities
27258622	10.1016/j.ejmech.2016.04.043	MDA-MB-231	3
27258622	10.1016/j.ejmech.2016.04.043	Hepatocyte growth factor receptor	1
27258622	10.1016/j.ejmech.2016.04.043	MDA-MB-468	1

Data from ChEMBL 36 via Core Engine