Compound Detail

CHEMBL1095035

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COC[C@H](C)N(Cc1ccc(-c2cc3nccc(Oc4ccc(NC(=O)c5cnn(-c6ccccc6)c5C(F)(F)F)cc4F)c3s2)cc1)C(C)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1095035
Phase	Preclinical
Structure Type	MOL
InChI Key	ABXAHAOCSWBNBG-QFIPXVFZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

717.7

MW (Da)

8.73

ALogP

HBA

HBD

98.6

PSA (Å²)

0.13

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 7.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Hepatocyte growth factor receptor CHEMBL3717	IC50	7.52	7.52	30.0	1
Macrophage-stimulating protein receptor CHEMBL2689	IC50	7.22	7.22	60.0	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	5.6	5.6	2500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Hepatocyte growth factor receptor	IC50	=	30.0	nM	7.52	Inhibition of c-Met	20363625
Macrophage-stimulating protein receptor	IC50	=	60.0	nM	7.22	Inhibition of TPR-tagged RON catalytic domain expressed in HEK293 cells	20363625
Vascular endothelial growth factor receptor 2	IC50	=	2500.0	nM	5.6	Inhibition of VEGFR2	20363625

PubMed	DOI	Target Context	# Activities
20363625	10.1016/j.bmcl.2010.03.073	Macrophage-stimulating protein receptor	1
20363625	10.1016/j.bmcl.2010.03.073	Hepatocyte growth factor receptor	1
20363625	10.1016/j.bmcl.2010.03.073	Vascular endothelial growth factor receptor 2	1

Data from ChEMBL 36 via Core Engine