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®
Database Links
CAS Registry No. 956697-53-3
ChEMBL Ligand CHEMBL2105737
PubChem CID 24775005
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Wikipedia Erismodegib
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).