Compound Detail

CHEMBL5089912

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C=CC(=O)Nc1cc(Nc2nccc(Nc3ccn(C)n3)n2)c(OC)cc1N(C)CCN(C)CC(=O)OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5089912
Phase	Preclinical
Structure Type	MOL
InChI Key	KDUXVEZAWDQWNK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

523.6

MW (Da)

2.37

ALogP

HBA

HBD

138.8

PSA (Å²)

0.22

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 7.37

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Epidermal growth factor receptor CHEMBL203	IC50	7.37	6.75	42.3	5

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Epidermal growth factor receptor	IC50	=	42.38	nM	7.37	Inhibition of EGFR T790M/C797S double mutant (unknown origin) using flurogenic s...	34794818
Epidermal growth factor receptor	IC50	=	42.3	nM	7.37	Inhibition of EGFR L858R/T790M (unknown origin)	38879996
Epidermal growth factor receptor	IC50	=	106.2	nM	6.97	Inhibition of EGFR del19 (unknown origin) using flurogenic substrate in presence...	34794818
Epidermal growth factor receptor	IC50	=	952.4	nM	6.02	Inhibition of wild type EGFR (unknown origin) using flurogenic substrate in pres...	34794818
Epidermal growth factor receptor	IC50	=	952.0	nM	6.02	Inhibition of wild-type EGFR (unknown origin)	38879996

PubMed	DOI	Target Context	# Activities
34794818	10.1016/j.ejmech.2021.113984	Epidermal growth factor receptor	3
38879996	10.1016/j.bmc.2024.117796	Epidermal growth factor receptor	2
34794818	10.1016/j.ejmech.2021.113984	Unchecked	1

Data from ChEMBL 36 via Core Engine