Compound Detail

CHEMBL225720

Enter ChEMBL ID:

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

CN(C)CCN/N=N/c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL225720
Phase	Preclinical
Structure Type	MOL
InChI Key	GOVBHWZRXMKGIA-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

369.9

MW (Da)

4.18

ALogP

HBA

HBD

77.8

PSA (Å²)

0.37

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.43

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Epidermal growth factor receptor CHEMBL203	IC50	7.43	7.43	37.0	1
NIH3T3 CHEMBL614822	IC50	5.78	5.09	1670.0	2
DU-145 CHEMBL613508	IC50	4.43	4.43	37230.0	1

Parameter	Value	Units	Species
T1/2	1.8	hr	-

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Epidermal growth factor receptor	IC50	=	37.0	nM	7.43	Inhibition of EGFR tyrosine kinase expressed in A431 cells	17472358
NIH3T3	IC50	=	1670.0	nM	5.78	Inhibition of serum-stimulated growth of NIH3T3 cells transfected with HER14 aft...	17472358
DU-145	IC50	=	37230.0	nM	4.43	Growth inhibition of human DU145 cells after 3 days by SRB assay	17472358
NIH3T3	IC50	=	39500.0	nM	4.4	Inhibition of serum-stimulated growth of NIH3T3 cells after 3 days by SRB assay	17472358

PubMed	DOI	Target Context	# Activities
17472358	10.1021/jm070144p	NIH3T3	2
17472358	10.1021/jm070144p	Epidermal growth factor receptor	1
17472358	10.1021/jm070144p	DU-145	1
20151639	10.1021/jm9016043	ADMET	1

Data from ChEMBL 36 via Core Engine