Compound Detail

CHEMBL4452405

Enter ChEMBL ID:

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

Cc1ccc(-c2cn(Cc3ccc(-c4cncnc4)cc3)nn2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4452405
Phase	Preclinical
Structure Type	MOL
InChI Key	JYLMIXWMBBGQSD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

327.4

MW (Da)

3.76

ALogP

HBA

HBD

56.5

PSA (Å²)

0.57

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.48

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Ephrin type-B receptor 4 CHEMBL5147	IC50	8.48	8.48	3.3	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	7.96	7.96	11.1	1
Angiopoietin-1 receptor CHEMBL4128	IC50	7.59	7.59	25.7	1
EA.hy 926 CHEMBL4296410	IC50	6.0	6.0	1010.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Ephrin type-B receptor 4	IC50	=	3.3	nM	8.48	Inhibition of EphB4 (unknown origin) after 1 hrs by ADP-Glo luminescence assay	30616052
Vascular endothelial growth factor receptor 2	IC50	=	11.06	nM	7.96	Inhibition of VEGFR-2 (unknown origin) after 1 hrs by ADP-Glo luminescence assay	30616052
Angiopoietin-1 receptor	IC50	=	25.74	nM	7.59	Inhibition of Tie-2 (unknown origin) after 1 hrs by ADP-Glo luminescence assay	30616052
EA.hy 926	IC50	=	1010.0	nM	6.0	Antiproliferative activity against human EAhy926 cells assessed as reduction in ...	30616052

PubMed	DOI	Target Context	# Activities
30616052	10.1016/j.ejmech.2018.12.067	EA.hy 926	2
30616052	10.1016/j.ejmech.2018.12.067	Vascular endothelial growth factor receptor 2	1
30616052	10.1016/j.ejmech.2018.12.067	Angiopoietin-1 receptor	1
30616052	10.1016/j.ejmech.2018.12.067	Ephrin type-B receptor 4	1

Data from ChEMBL 36 via Core Engine