compound 2 [PMID: 15546730]

Ligand id: 8136

Name: compound 2 [PMID: 15546730]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 108.04
Molecular weight 373.08
XLogP 3.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(2-chloro-6-methylphenyl)-2-[(2,6-dimethylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide
Database Links
BindingDB Ligand 13268
ChEMBL Ligand CHEMBL364623
PubChem CID 11153014
Search Google for chemical match using the InChIKey WFRLFWGASBLYTC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WFRLFWGASBLYTC
Search UniChem for chemical match using the InChIKey WFRLFWGASBLYTC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WFRLFWGASBLYTC
Comments
Compound 2 is representative analog developed in a medicinal chemistry study to optimise inhibition of LCK proto-oncogene, Src family tyrosine kinase (Lck) [1].