Compound Detail

CHEMBL7432

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CN(C)CC(=O)Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL7432
Phase	Preclinical
Structure Type	MOL
InChI Key	HFEANGBCVOPJFK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

361.4

MW (Da)

3.35

ALogP

HBA

HBD

78.2

PSA (Å²)

0.32

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 8 meas. best 7.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Platelet-derived growth factor receptor beta CHEMBL1913	IC50	7.0	6.3375	100.0	4
Platelet-derived growth factor receptor alpha CHEMBL2007	IC50	7.0	7.0	100.0	1
Platelet-derived growth factor receptor CHEMBL2095189	IC50	7.0	7.0	100.0	1
Unchecked CHEMBL612545	IC50	4.82	4.82	15100.0	1
Protein kinase C epsilon type CHEMBL3582	IC50	4.52	4.52	30000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Platelet-derived growth factor receptor	IC50	=	100.0	nM	7.0	Antitumor activity measured by the inhibition of platelet-derived growth factor ...	11855980
Platelet-derived growth factor receptor beta	IC50	=	100.0	nM	7.0	Inhibition of purified Platelet-derived growth factor receptor beta kinase activ...	11855980
Platelet-derived growth factor receptor beta	IC50	=	100.0	nM	7.0	Inhibition of Platelet-derived growth factor receptor beta autophosphorylation i...	11855980
Platelet-derived growth factor receptor alpha	IC50	=	100.0	nM	7.0	Inhibition of Platelet-derived growth factor receptor alpha autophosphorylation ...	11855980
Platelet-derived growth factor receptor beta	IC50	=	1300.0	nM	5.89	Inhibition of Platelet-derived growth factor receptor beta kinase activity in Sf...	11855980
Platelet-derived growth factor receptor beta	IC50	=	3500.0	nM	5.46	Inhibition of proliferation of inducible PDGF-B expressing sis-NIH3T3 cells	11855980
Unchecked	IC50	=	15100.0	nM	4.82	Inhibition of Protein kinase C isoforms epsilon and iota in vitro phosphorylatio...	11855980
Protein kinase C epsilon type	IC50	=	30000.0	nM	4.52	Inhibition of His-tagged Protein kinase C epsilon over-expressed in COS7 cells	11855980

PubMed	DOI	Target Context	# Activities
11855980	10.1021/jm010988n	Platelet-derived growth factor receptor beta	4
11855980	10.1021/jm010988n	Platelet-derived growth factor receptor	1
11855980	10.1021/jm010988n	Platelet-derived growth factor receptor alpha	1
11855980	10.1021/jm010988n	Fibroblast growth factor receptor 1	1
11855980	10.1021/jm010988n	Epidermal growth factor receptor	1
11855980	10.1021/jm010988n	Proto-oncogene tyrosine-protein kinase Src	1
11855980	10.1021/jm010988n	Beta-adrenergic receptor kinase 1	1
11855980	10.1021/jm010988n	Unchecked	1
11855980	10.1021/jm010988n	Protein kinase C epsilon type	1

Data from ChEMBL 36 via Core Engine