Compound Detail

CHEMBL4062187

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Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4ccccc4N4CCN(C)CC4)cc3)c12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4062187
Phase	Preclinical
Structure Type	MOL
InChI Key	YXTRBKGEWJUVNV-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

441.5

MW (Da)

4.33

ALogP

HBA

HBD

89.2

PSA (Å²)

0.44

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 6.03

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Platelet-derived growth factor receptor alpha CHEMBL2007	IC50	6.03	6.03	928.0	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	5.38	5.38	4164.0	1
Mast/stem cell growth factor receptor Kit CHEMBL1936	IC50	5.34	5.34	4581.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Platelet-derived growth factor receptor alpha	IC50	=	928.0	nM	6.03	Inhibition of PDGFRalpha (unknown origin) using FAM-labeled peptide as substrate...	28541695
Vascular endothelial growth factor receptor 2	IC50	=	4164.0	nM	5.38	Inhibition of VEGFR2 (unknown origin) using FAM-labeled peptide as substrate pre...	28541695
Mast/stem cell growth factor receptor Kit	IC50	=	4581.0	nM	5.34	Inhibition of cKIT (unknown origin) using FAM-labeled peptide as substrate prein...	28541695

PubMed	DOI	Target Context	# Activities
28541695	10.1021/acs.jmedchem.7b00468	Mast/stem cell growth factor receptor Kit	1
28541695	10.1021/acs.jmedchem.7b00468	Platelet-derived growth factor receptor alpha	1
28541695	10.1021/acs.jmedchem.7b00468	Vascular endothelial growth factor receptor 2	1

Data from ChEMBL 36 via Core Engine