Compound Detail

CHEMBL7296

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COc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL7296
Phase	Preclinical
Structure Type	MOL
InChI Key	QTIQVLAVCXXZPS-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

290.3

MW (Da)

3.89

ALogP

HBA

HBD

57.9

PSA (Å²)

0.56

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Platelet-derived growth factor receptor CHEMBL2095189	IC50	6.52	6.52	300.0	1
Platelet-derived growth factor receptor CHEMBL2096980	IC50	6.52	6.52	300.0	1
Unchecked CHEMBL612545	IC50	6.52	6.52	300.0	1
Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974	IC50	5.5	5.5	3200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Platelet-derived growth factor receptor	IC50	=	300.0	nM	6.52	Antitumor activity measured by the inhibition of platelet-derived growth factor ...	11855980
Platelet-derived growth factor receptor	IC50	=	300.0	nM	6.52	Inhibition of endogenous PDGFR in Swiss3T3 fibroblasts	16722630
Unchecked	IC50	=	300.0	nM	6.52	Inhibition of PDGF-BB-stimulated PDGFR autophosphorylation in mouse Swiss-3T3 ce...	34864496
Receptor-type tyrosine-protein kinase FLT3	IC50	=	3200.0	nM	5.5	Inhibition of endogenous FLT3 in EOL1 cells	16722630

PubMed	DOI	Target Context	# Activities
11855980	10.1021/jm010988n	Platelet-derived growth factor receptor	1
16722630	10.1021/jm058033i	Receptor-type tyrosine-protein kinase FLT3	1
16722630	10.1021/jm058033i	Platelet-derived growth factor receptor	1
34864496	10.1016/j.bmc.2021.116534	Unchecked	1

Data from ChEMBL 36 via Core Engine