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
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.
Database Links
BindingDB Ligand 50224883
ChEMBL Ligand CHEMBL248757
GtoPdb PubChem SID 249565802
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