compound 24 [PMID: 15955699]

Ligand id: 8131

Name: compound 24 [PMID: 15955699]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 110.92
Molecular weight 328.18
XLogP -0.65
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[1-ethyl-7-(piperazin-1-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
Database Links
ChEMBL Ligand CHEMBL415770
PubChem CID 44397277
Search Google for chemical match using the InChIKey OXZLPOLYTISTQY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OXZLPOLYTISTQY
Search UniChem for chemical match using the InChIKey OXZLPOLYTISTQY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OXZLPOLYTISTQY
Comments
Compound 24 is a potent inhibitor of ribosomal protein S6 kinase, polypeptide 5 (RPS6KA5), also known as MSK1 [1]. This compound has selectivity over glycogen synthase 3 (GSK3) and ribosomal protein S6 kinase, polypeptide 1 (aka RSK1).