Compound Detail

CHEMBL448993

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CC(=O)c1cccc(-c2cc3nccc(Oc4ccc(NC(=O)N5CCN(c6ccccc6)C5=O)cc4F)c3s2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL448993
Phase	Preclinical
Structure Type	MOL
InChI Key	FOSNOEXXSOQKEV-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

566.6

MW (Da)

7.57

ALogP

HBA

HBD

91.8

PSA (Å²)

0.21

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Hepatocyte growth factor receptor CHEMBL3717	IC50	6.7	6.6567	200.0	3
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	6.06	6.06	880.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Hepatocyte growth factor receptor	IC50	=	200.0	nM	6.7	Inhibition of GST-fused recombinant c-Met catalytic domain expressed in baculovi...	19211249
Hepatocyte growth factor receptor	IC50	=	200.0	nM	6.7	Inhibition of human c-MET	21641696
Hepatocyte growth factor receptor	IC50	=	270.0	nM	6.57	Inhibition of TPR-fused Met phosphorylation expressed in human 293T cells by ELI...	19211249
Vascular endothelial growth factor receptor 2	IC50	=	880.0	nM	6.06	Inhibition of GST-fused recombinant VGFR2 catalytic domain expressed in baculovi...	19211249

PubMed	DOI	Target Context	# Activities
19211249	10.1016/j.bmcl.2009.01.068	Hepatocyte growth factor receptor	2
19211249	10.1016/j.bmcl.2009.01.068	Vascular endothelial growth factor receptor 2	1
21641696	10.1016/j.ejmech.2011.05.031	Hepatocyte growth factor receptor	1

Data from ChEMBL 36 via Core Engine