Compound Detail

CHEMBL231511

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Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5ccccc5)cnc(N)c34)cc2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL231511
Phase	Preclinical
Structure Type	MOL
InChI Key	MGVHMJGTUMNGFV-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

450.6

MW (Da)

7.16

ALogP

HBA

HBD

80.0

PSA (Å²)

0.27

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 7.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	7.89	7.685	13.0	4
Aurora kinase B CHEMBL2185	IC50	5.48	5.48	3280.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Vascular endothelial growth factor receptor 2	IC50	=	13.0	nM	7.89	Inhibition of KDR	17188869
Vascular endothelial growth factor receptor 2	IC50	=	13.0	nM	7.89	Inhibition of KDR using 1 mM ATP by HTRF assay	22465635
Vascular endothelial growth factor receptor 2	IC50	=	33.0	nM	7.48	Inhibition of human KDR phosphorylation in NIH3T3 cells	17188869
Vascular endothelial growth factor receptor 2	IC50	=	33.0	nM	7.48	Inhibition of human KDR phosphorylation expressed in mouse NIH3T3 cells	22465635
Aurora kinase B	IC50	=	3280.0	nM	5.48	Inhibition of Aurora B using 1 mM ATP by HTRF assay	22465635

PubMed	DOI	Target Context	# Activities
17188869	10.1016/j.bmcl.2006.12.015	Vascular endothelial growth factor receptor 2	2
22465635	10.1016/j.bmcl.2012.03.035	Vascular endothelial growth factor receptor 2	2
22465635	10.1016/j.bmcl.2012.03.035	Aurora kinase B	2

Data from ChEMBL 36 via Core Engine