odanacatib

Ligand id: 6478

Name: odanacatib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 107.44
Molecular weight 525.17
XLogP 6.26
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide
International Nonproprietary Names
INN number INN
8962 odanacatib
Synonyms
MK-0822
Database Links
ChEMBL Ligand CHEMBL481611
PubChem CID 10152654
Search Google for chemical match using the InChIKey FWIVDMJALNEADT-SFTDATJTSA-N
Search Google for chemicals with the same backbone FWIVDMJALNEADT
Search PubMed clinical trials odanacatib
Search PubMed titles odanacatib
Search PubMed titles/abstracts odanacatib
Search UniChem for chemical match using the InChIKey FWIVDMJALNEADT-SFTDATJTSA-N
Search UniChem for chemicals with the same backbone FWIVDMJALNEADT
Wikipedia Odanacatib
Comments
Odanacatib, a cathepsin K inhibitor, has clinically shown prevention of bone loss in osteoporosis. However, in Sept 2016 Merck ceased development because of an increased risk of stroke in the Phase 3 results (see the In the Pipeline commentary)