SB-747651A

Ligand id: 8130

Name: SB-747651A

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 119.71
Molecular weight 342.19
XLogP -0.14
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[5,4-d]pyridin-7-yl]methyl]piperidin-4-amine
Synonyms
compound 26 [1]
Database Links
ChEMBL Ligand CHEMBL188434
PubChem CID 11393719
Search Google for chemical match using the InChIKey MBCJUIJWPYUEBX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MBCJUIJWPYUEBX
Search UniChem for chemical match using the InChIKey MBCJUIJWPYUEBX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MBCJUIJWPYUEBX
Comments
SB-747651A 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).