SM-122

Ligand id: 8855

Name: SM-122

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 90.54
Molecular weight 476.28
XLogP 6.26
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3S,6S,10aS)-N-benzhydryl-6-[[(2S)-2-(methylamino)propanoyl]amino]-5-oxo-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocine-3-carboxamide
Synonyms
compound 1 [1] | Smac peptide mimetic 20
Database Links
ChEMBL Ligand CHEMBL481422
PubChem CID 24754886
Search Google for chemical match using the InChIKey XBTLZUHJBOBKRG-HCUBDLJJSA-N
Search Google for chemicals with the same backbone XBTLZUHJBOBKRG
Search UniChem for chemical match using the InChIKey XBTLZUHJBOBKRG-HCUBDLJJSA-N
Search UniChem for chemicals with the same backbone XBTLZUHJBOBKRG
Comments
SM-122 is an inhibitor of the inhibitor of apoptosis proteins (IAPs) [1].