compound 25 [PMID: 17935989]

Ligand id: 8122

Name: compound 25 [PMID: 17935989]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 162.32
Molecular weight 471.09
XLogP 1.23
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Database Links
BindingDB Ligand 50224883
ChEMBL Ligand CHEMBL248757
PubChem CID 44444843
Search Google for chemical match using the InChIKey AZTMYWWWILJAKW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AZTMYWWWILJAKW
Search UniChem for chemical match using the InChIKey AZTMYWWWILJAKW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AZTMYWWWILJAKW
Comments
Compound 25 is a checkpoint kinase 1 (CHK1) inhibitor. Its discovery is reported in [1] and this article provides screening results across a large kinase panel.