Compound Detail

CHEMBL5574745

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Cc1ccc(-c2cc(-c3ccc(NC(=O)Nc4ccccc4)cc3)nc(O)c2C#N)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5574745
Phase	Preclinical
Structure Type	MOL
InChI Key	HJBJDOWJXRJZNS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

420.5

MW (Da)

5.95

ALogP

HBA

HBD

98.0

PSA (Å²)

0.38

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 4 meas. best 7.19

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Hepatocyte growth factor receptor CHEMBL3717	IC50	7.19	7.19	65.0	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	6.51	6.51	310.0	1
PC-3 CHEMBL390	IC50	5.55	5.55	2830.0	1
MCF7 CHEMBL387	IC50	5.09	5.09	8200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Hepatocyte growth factor receptor	IC50	=	65.0	nM	7.19	Inhibition of N-terminal GST-tagged human recombinant c-MET (956 to 1390 residue...	39026631
Vascular endothelial growth factor receptor 2	IC50	=	310.0	nM	6.51	Inhibition of human recombinant VEGFR2 (805 to 1356 residues) in presence of ATP...	39026631
PC-3	IC50	=	2830.0	nM	5.55	Cytotoxicity against human PC-3 cells assessed as reduction in cell viability by...	39026631
MCF7	IC50	=	8200.0	nM	5.09	Cytotoxicity against human MCF7 cells assessed as reduction in cell viability by...	39026631

PubMed	DOI	Target Context	# Activities
39026631	10.1039/d4md00280f	MCF7	2
39026631	10.1039/d4md00280f	PC-3	2
39026631	10.1039/d4md00280f	Hepatocyte growth factor receptor	1
39026631	10.1039/d4md00280f	Vascular endothelial growth factor receptor 2	1
39026631	10.1039/d4md00280f	WISH	1

Data from ChEMBL 36 via Core Engine