Compound Detail

CHEMBL2447950

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CCOc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1OCC.Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2447950
Phase	Preclinical
Structure Type	MOL
InChI Key	NDNNDVLIBBORKN-UHFFFAOYSA-N
Parent Compound	CHEMBL64950
Active Moiety	CHEMBL64950

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

343.8

MW (Da)

4.82

ALogP

HBA

HBD

56.3

PSA (Å²)

0.69

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 9.42

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Epidermal growth factor receptor CHEMBL203	IC50	9.42	8.4367	0.4	3
MCF7 CHEMBL387	IC50	5.96	5.96	1087.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Epidermal growth factor receptor	IC50	=	0.38	nM	9.42	Displacement of [125I]4-(3-iodoanilino)-6,7-dimethoxyquinazoline from EGFR tyros...	16279804
Epidermal growth factor receptor	IC50	=	1.2	nM	8.92	Inhibition of human EGFR tyrosine kinase phosphorylation expressed in mouse BaF3...	16279804
Epidermal growth factor receptor	IC50	=	108.0	nM	6.97	Inhibition of DNA synthesis in EGF-dependent human MCF10A cells assessed as [3H]...	16279804
MCF7	IC50	=	1087.0	nM	5.96	Inhibition of DNA synthesis in EGF-independent human MCF7 cells assessed as 3H]t...	16279804

PubMed	DOI	Target Context	# Activities
16279804	10.1021/jm050607w	Epidermal growth factor receptor	4
16279804	10.1021/jm050607w	No relevant target	1
16279804	10.1021/jm050607w	MCF7	1

Data from ChEMBL 36 via Core Engine