Compound Detail

CHEMBL439068

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Cc1cc(NC(=O)Nc2ccc(-c3nccc4[nH]nc(N)c34)cc2)ccc1F

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL439068
Phase	Preclinical
Structure Type	MOL
InChI Key	IKVHXRUWPCZXMS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

376.4

MW (Da)

4.30

ALogP

HBA

HBD

108.7

PSA (Å²)

0.43

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 7.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	7.7	7.585	20.0	6

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vascular endothelial growth factor receptor 2	IC50	=	20.0	nM	7.7	Inhibition of KDR by HTRF assay	18023347
Vascular endothelial growth factor receptor 2	IC50	=	20.0	nM	7.7	Inhibition of KDR kinase activity (unknown origin)	-
Vascular endothelial growth factor receptor 2	IC50	=	20.0	nM	7.7	Inhibition of KDR kinase activity (unknown origin)	-
Vascular endothelial growth factor receptor 2	IC50	=	34.0	nM	7.47	Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells	18023347
Vascular endothelial growth factor receptor 2	IC50	=	34.0	nM	7.47	Inhibition of KDR (unknown origin) in cell-based assay	-
Vascular endothelial growth factor receptor 2	IC50	=	34.0	nM	7.47	Inhibition of KDR (unknown origin) in cell-based assay	-

PubMed	DOI	Target Context	# Activities
-	10.1007/s00044-011-9926-4	Vascular endothelial growth factor receptor 2	4
18023347	10.1016/j.bmcl.2007.10.018	Vascular endothelial growth factor receptor 2	2
18023347	10.1016/j.bmcl.2007.10.018	Mus musculus	1

Data from ChEMBL 36 via Core Engine