WH-4-023

Ligand id: 8068

Name: WH-4-023

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 92.29
Molecular weight 568.28
XLogP 6.17
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]carbamate
Database Links
CAS Registry No. 837422-57-8
ChEMBL Ligand CHEMBL213100
PubChem CID 11844351
Search Google for chemical match using the InChIKey NBTNHSGBRGTFJS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NBTNHSGBRGTFJS
Search UniChem for chemical match using the InChIKey NBTNHSGBRGTFJS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NBTNHSGBRGTFJS
Comments
WH-4-023 is an investigational inhibitor of the kinases LCK proto-oncogene, Src family tyrosine kinase (Lck) and SRC proto-oncogene, non-receptor tyrosine kinase (Src) [1]. It is compound 28 in [1], where it is reported to be potent and orally active.