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
Comments
Saridegib is an orally active inhibitor of the hedgehog signalling pathway, acting as an antagonist of the class frizzled GPCR, smoothened (SMO) [1].
Database Links
CAS Registry No. 1037210-93-7
ChEMBL Ligand CHEMBL538867
GtoPdb PubChem SID 249565878
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