Compound Detail

CHEMBL4519305

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N#Cc1cnc2cc(OC[C@H](O)CO)c(NC(=O)C3CSSC3)cc2c1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4519305
Phase	Preclinical
Structure Type	MOL
InChI Key	CRSYKTDYLTZPGM-JOCHJYFZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

641.1

MW (Da)

5.90

ALogP

HBA

HBD

136.7

PSA (Å²)

0.15

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 7 meas. best 7.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Epidermal growth factor receptor CHEMBL203	IC50	7.7	6.6671	20.0	7

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Epidermal growth factor receptor	IC50	=	20.0	nM	7.7	Inhibition of probe binding to EGFR L858R mutant (unknown origin) using rabbit r...	31023512
Epidermal growth factor receptor	IC50	=	50.0	nM	7.3	Kinase assay: KINOMEscan is based on a competition binding assay that quantitati...	-
Epidermal growth factor receptor	IC50	=	50.0	nM	7.3	Kinase assay: KINOMEscan is based on a competition binding assay that quantitati...	-
Epidermal growth factor receptor	IC50	=	256.0	nM	6.59	Inhibition of probe binding to wild type EGFR (unknown origin) using rabbit reti...	31023512
Epidermal growth factor receptor	IC50	=	550.0	nM	6.26	Kinase assay: KINOMEscan is based on a competition binding assay that quantitati...	-
Epidermal growth factor receptor	IC50	=	550.0	nM	6.26	Kinase assay: KINOMEscan is based on a competition binding assay that quantitati...	-
Epidermal growth factor receptor	IC50	=	5500.0	nM	5.26	Kinase assay: KINOMEscan is based on a competition binding assay that quantitati...	-

PubMed	DOI	Target Context	# Activities
31023512	10.1016/j.bmcl.2019.04.029	Epidermal growth factor receptor	2

Data from ChEMBL 36 via Core Engine