AZD2858

Ligand id: 8478

Name: AZD2858

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 142.79
Molecular weight 453.16
XLogP 0.96
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
Synonyms
AZD 2858 | AZD-2858 | compound 18 [PMID: 22489897]
Database Links
CAS Registry No. 486424-20-8
ChEMBL Ligand CHEMBL2177161
PubChem CID 10138980
RCSB PDB Ligand GR9
Search Google for chemical match using the InChIKey FHCSBLWRGCOVPT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FHCSBLWRGCOVPT
Search UniChem for chemical match using the InChIKey FHCSBLWRGCOVPT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FHCSBLWRGCOVPT
SynPHARM 82212 (in complex with glycogen synthase kinase 3 beta)
Comments
AZD2858 is an orally active inhibitor of glycogen synthase kinase 3 beta (GSK-3β) [1].