Compound Detail

CHEMBL2047249

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Nc1nc2c(c(Nc3ccc(Br)cc3)n1)-c1ccccc1C2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2047249
Phase	Preclinical
Structure Type	MOL
InChI Key	HESYGFVBSYSLJZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

353.2

MW (Da)

4.14

ALogP

HBA

HBD

63.8

PSA (Å²)

0.57

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 4.72

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	IC50	4.72	4.72	19100.0	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	4.52	4.52	30100.0	1
Platelet-derived growth factor receptor beta CHEMBL1913	IC50	4.41	4.41	38900.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	IC50	=	19100.0	nM	4.72	Antiangiogenic activity in VEGF/bFGF-stimulated chicken embryo after 48 hrs by C...	22739090
Vascular endothelial growth factor receptor 2	IC50	=	30100.0	nM	4.52	Inhibition of VEGFR2 in human U251 cells pretreated for 60 mins measured after 1...	22739090
Platelet-derived growth factor receptor beta	IC50	=	38900.0	nM	4.41	Inhibition of PDGFRbeta in human SF539 cells pretreated for 60 mins measured aft...	22739090

PubMed	DOI	Target Context	# Activities
22739090	10.1016/j.bmc.2012.05.068	NON-PROTEIN TARGET	1
22739090	10.1016/j.bmc.2012.05.068	A-431	1
22739090	10.1016/j.bmc.2012.05.068	Platelet-derived growth factor receptor beta	1
22739090	10.1016/j.bmc.2012.05.068	Vascular endothelial growth factor receptor 2	1
22739090	10.1016/j.bmc.2012.05.068	Epidermal growth factor receptor	1

Data from ChEMBL 36 via Core Engine