GSK2982772

Ligand id: 9554

Name: GSK2982772

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 100.21
Molecular weight 377.15
XLogP 5.03
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
Synonyms
compound 5 [PMID: 28151659]
Database Links
PubChem CID 77108121
RCSB PDB Ligand 7MJ
Search Google for chemical match using the InChIKey LYPAFUINURXJSG-AWEZNQCLSA-N
Search Google for chemicals with the same backbone LYPAFUINURXJSG
Search UniChem for chemical match using the InChIKey LYPAFUINURXJSG-AWEZNQCLSA-N
Search UniChem for chemicals with the same backbone LYPAFUINURXJSG
SynPHARM 84326 (in complex with receptor interacting serine/threonine kinase 1)
Comments
GSK2982772 is a clinical candidate RIPK1 inhibitor, with anti-inflammatory potential [1]. X-ray structure of co-crystals shows GSK2982772 in a Type III-like kinase inhibitor position.