Compound Detail

CHEMBL206136

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c1cnc(CCc2ccncc2)c(-c2nnc(Nc3cnc4ccccc4c3)o2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL206136
Phase	Preclinical
Structure Type	MOL
InChI Key	YDONUDAXZBQSMV-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

394.4

MW (Da)

4.60

ALogP

HBA

HBD

89.6

PSA (Å²)

0.45

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 6.42

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	6.42	6.42	380.0	1
Vascular endothelial growth factor receptor 1 CHEMBL1868	IC50	6.36	6.36	440.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vascular endothelial growth factor receptor 2	IC50	=	380.0	nM	6.42	Inhibition of VEGFR2 phosphorylation in presence of 2 uM ATP by HTRF assay	16460936
Vascular endothelial growth factor receptor 1	IC50	=	440.0	nM	6.36	Inhibition of VEGFR1 phosphorylation in presence of 2 uM ATP by HTRF assay	16460936

PubMed	DOI	Target Context	# Activities
16460936	10.1016/j.bmcl.2005.12.090	Vascular endothelial growth factor receptor 2	2
16460936	10.1016/j.bmcl.2005.12.090	Vascular endothelial growth factor receptor 1	1
16460936	10.1016/j.bmcl.2005.12.090	Caco-2	1
16460936	10.1016/j.bmcl.2005.12.090	Bcr/Abl fusion protein	1
16460936	10.1016/j.bmcl.2005.12.090	Cyclin-dependent kinase 2	1
16460936	10.1016/j.bmcl.2005.12.090	Cyclin-dependent kinase 5	1

Data from ChEMBL 36 via Core Engine