Compound Detail

CHEMBL496150

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CN(C)[C@H]1CCN(c2ccc3[nH]c(-c4c(N)c5ccccc5[nH]c4=O)nc3c2)C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL496150
Phase	Preclinical
Structure Type	MOL
InChI Key	LYWLFOKRWJGIJX-AWEZNQCLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

388.5

MW (Da)

2.79

ALogP

HBA

HBD

94.0

PSA (Å²)

0.50

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 8.4

EC50 1 meas. best 7.38

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Platelet-derived growth factor receptor beta CHEMBL1913	IC50	8.4	8.4	4.0	1
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	7.7	7.7	20.0	1
NON-PROTEIN TARGET CHEMBL3879801	EC50	7.38	7.38	42.0	1
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	7.22	7.22	60.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Platelet-derived growth factor receptor beta	IC50	=	4.0	nM	8.4	Inhibition of human recombinant PDGFRbeta	19113866
Fibroblast growth factor receptor 1	IC50	=	20.0	nM	7.7	Inhibition of human recombinant FGFR1	19113866
NON-PROTEIN TARGET	EC50	=	42.0	nM	7.38	Inhibition of VEGF-mediated proliferation of HMVEC after 72 hrs	19113866
Vascular endothelial growth factor receptor 2	IC50	=	60.0	nM	7.22	Inhibition of human recombinant VEGFR2	19113866

PubMed	DOI	Target Context	# Activities
19113866	10.1021/jm800790t	Vascular endothelial growth factor receptor 2	1
19113866	10.1021/jm800790t	Fibroblast growth factor receptor 1	1
19113866	10.1021/jm800790t	Platelet-derived growth factor receptor beta	1
19113866	10.1021/jm800790t	NON-PROTEIN TARGET	1

Data from ChEMBL 36 via Core Engine