sonidegib

Ligand id: 8199

Name: sonidegib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 63.69
Molecular weight 485.19
XLogP 7.32
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2015))
IUPAC Name
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide
International Nonproprietary Names
INN number INN
9394 sonidegib
Synonyms
erismodegib (deleted INN) | LDE-225 | LDE225 | NVP-LDE225 | Odomzo®
Comments
Sonidegib (INN formerly erismodegib, but replaced in 2012) is an orally active inhibitor of the hedgehog signalling pathway, acting as an antagonist of the class frizzled GPCR, smoothened (SMO) [1-2].
The first hedgehog pathway inhibitor to be approved was vismodegib (2012).
Database Links
CAS Registry No. 956697-53-3
ChEMBL Ligand CHEMBL2105737
GtoPdb PubChem SID 249565879
PubChem CID 24775005
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Wikipedia Erismodegib