saridegib

Ligand id: 8198

Name: saridegib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 75.81
Molecular weight 504.34
XLogP 5.65
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(3R,3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-3',6',11,12b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-yl]methanesulfonamide
Synonyms
IPI 926 | IPI-926
Database Links
CAS Registry No. 1037210-93-7
ChEMBL Ligand CHEMBL538867
PubChem CID 25027363
Search Google for chemical match using the InChIKey HZLFFNCLTRVYJG-WWGOJCOQSA-N
Search Google for chemicals with the same backbone HZLFFNCLTRVYJG
Search UniChem for chemical match using the InChIKey HZLFFNCLTRVYJG-WWGOJCOQSA-N
Search UniChem for chemicals with the same backbone HZLFFNCLTRVYJG
Wikipedia Saridegib
Comments
Saridegib is an orally active inhibitor of the hedgehog signalling pathway, acting as an antagonist of the class frizzled GPCR, smoothened (SMO) [1].