EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:748946 - odanacatib

Default Structure
ChEBI IDCHEBI:748946
ChEBI Nameodanacatib
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC25H27F4N3O3S
Net Charge0
Average Mass525.568
Monoisotopic Mass525.17093
SMILESCC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1
InChIInChI=1S/C25H27F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,20-21,31H,12-14H2,1-3H3,(H,32,33)/t20-,21-/m0/s1
InChIKeyFWIVDMJALNEADT-SFTDATJTSA-N
Roles Classification
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
bone density conservation agent  An agent that inhibits bone resorption and/or favor bone mineralization and bone regeneration. Used to heal bone fractures and to treat bone diseases such as osteopenia and osteoporosis.
ChEBI Ontology
Outgoing Relation(s)
odanacatib (CHEBI:748946) has role antineoplastic agent (CHEBI:35610)
odanacatib (CHEBI:748946) has role bone density conservation agent (CHEBI:50646)
odanacatib (CHEBI:748946) is a leucine derivative (CHEBI:47003)
INN  Source
odanacatibWHO MedNet
Synonyms  Source
L-001037536ChEMBL
L-1037536ChEMBL
MK-0822ChEMBL
MK0822ChEMBL
Citations