Compound Detail

CHEMBL522785

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

COc1cc2nc(Nc3cc(C)[nH]n3)nc(Nc3cccc(-c4nc5ccccc5s4)c3)c2cc1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL522785
Phase	Preclinical
Structure Type	MOL
InChI Key	GEPKFPGFWUHVLZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

509.6

MW (Da)

6.44

ALogP

HBA

HBD

109.9

PSA (Å²)

0.23

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 10 meas. best 6.11

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Ephrin type-B receptor 4 CHEMBL5147	IC50	6.11	6.11	780.0	1
Insulin-like growth factor 1 receptor CHEMBL1957	IC50	6.09	6.09	810.0	1
Insulin receptor CHEMBL1981	IC50	6.03	6.03	940.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL267	IC50	6.02	6.02	960.0	1
Platelet-derived growth factor receptor beta CHEMBL1913	IC50	5.96	5.96	1100.0	1
Vascular endothelial growth factor receptor 3 CHEMBL1955	IC50	5.8	5.8	1600.0	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	5.72	5.72	1900.0	1
Epidermal growth factor receptor CHEMBL203	IC50	5.48	5.48	3300.0	1
Angiopoietin-1 receptor CHEMBL4128	IC50	5.36	5.36	4400.0	1
Aurora kinase A CHEMBL4722	IC50	5.26	5.26	5500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Ephrin type-B receptor 4	IC50	=	780.0	nM	6.11	Inhibition of EphB4 by virtual HTS assay	19211246
Insulin-like growth factor 1 receptor	IC50	=	810.0	nM	6.09	Inhibition of IGF1R by virtual HTS assay	19211246
Insulin receptor	IC50	=	940.0	nM	6.03	Inhibition of insulin receptor by virtual HTS assay	19211246
Proto-oncogene tyrosine-protein kinase Src	IC50	=	960.0	nM	6.02	Inhibition of Src by virtual HTS assay	19211246
Platelet-derived growth factor receptor beta	IC50	=	1100.0	nM	5.96	Inhibition of PDGFRbeta by virtual HTS assay	19211246
Vascular endothelial growth factor receptor 3	IC50	=	1600.0	nM	5.8	Inhibition of VEGFR3 by virtual HTS assay	19211246
Vascular endothelial growth factor receptor 2	IC50	=	1900.0	nM	5.72	Inhibition of VEGFR2 by virtual HTS assay	19211246
Epidermal growth factor receptor	IC50	=	3300.0	nM	5.48	Inhibition of EGFR by virtual HTS assay	19211246
Angiopoietin-1 receptor	IC50	=	4400.0	nM	5.36	Inhibition of TIE2 by virtual HTS assay	19211246
Aurora kinase A	IC50	=	5500.0	nM	5.26	Inhibition of Aurora A by virtual HTS assay	19211246

PubMed	DOI	Target Context	# Activities
19211246	10.1016/j.bmcl.2009.01.054	Aurora kinase B	1
19211246	10.1016/j.bmcl.2009.01.054	Aurora kinase A	1
19211246	10.1016/j.bmcl.2009.01.054	Angiopoietin-1 receptor	1
19211246	10.1016/j.bmcl.2009.01.054	Epidermal growth factor receptor	1
19211246	10.1016/j.bmcl.2009.01.054	Vascular endothelial growth factor receptor 2	1
19211246	10.1016/j.bmcl.2009.01.054	Vascular endothelial growth factor receptor 3	1
19211246	10.1016/j.bmcl.2009.01.054	Platelet-derived growth factor receptor beta	1
19211246	10.1016/j.bmcl.2009.01.054	Proto-oncogene tyrosine-protein kinase Src	1
19211246	10.1016/j.bmcl.2009.01.054	Insulin receptor	1
19211246	10.1016/j.bmcl.2009.01.054	Insulin-like growth factor 1 receptor	1
19211246	10.1016/j.bmcl.2009.01.054	Ephrin type-B receptor 4	1

Data from ChEMBL 36 via Core Engine