Compound Detail

CHEMBL257533

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Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4ccsc4)cc3)c12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL257533
Phase	Preclinical
Structure Type	MOL
InChI Key	HVCRUBIPZYUNIZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

350.4

MW (Da)

3.91

ALogP

HBA

HBD

108.7

PSA (Å²)

0.45

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 7.9

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	7.9	7.665	12.7	6

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vascular endothelial growth factor receptor 2	IC50	=	12.7	nM	7.9	Inhibition of KDR by HTRF assay	18023347
Vascular endothelial growth factor receptor 2	IC50	=	12.7	nM	7.9	Inhibition of KDR kinase activity (unknown origin)	-
Vascular endothelial growth factor receptor 2	IC50	=	12.7	nM	7.9	Inhibition of KDR kinase activity (unknown origin)	-
Vascular endothelial growth factor receptor 2	IC50	=	37.0	nM	7.43	Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells	18023347
Vascular endothelial growth factor receptor 2	IC50	=	37.0	nM	7.43	Inhibition of KDR (unknown origin) in cell-based assay	-
Vascular endothelial growth factor receptor 2	IC50	=	37.0	nM	7.43	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

Data from ChEMBL 36 via Core Engine