SM-337

Ligand id: 7732

Name: SM-337

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 110.85
Molecular weight 595.32
XLogP 7.99
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(5S,8S,10aR)-N-benzhydryl-5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxo-3-(2-phenylacetyl)-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide
Database Links
ChEMBL Ligand CHEMBL504559
PubChem CID 25172871
Search Google for chemical match using the InChIKey YBYZHVZWINISJO-XPSCAIQQSA-N
Search Google for chemicals with the same backbone YBYZHVZWINISJO
Search UniChem for chemical match using the InChIKey YBYZHVZWINISJO-XPSCAIQQSA-N
Search UniChem for chemicals with the same backbone YBYZHVZWINISJO
Comments
SM-377 is compound 6 in [1]. SM-337 is a potent, orally bioavailable Smac mimetic which acts as an antagonist of caspase binding to IAP family members, XIAP, cIAP1 and cIAP2 [1].