EMBL-EBI | Chemical Biology Resources | ChEBI

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

CHEBI:750199 - anacetrapib

Default Structure
ChEBI IDCHEBI:750199
ChEBI Nameanacetrapib
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC30H25F10NO3
Net Charge0
Average Mass637.514
Monoisotopic Mass637.16748
SMILESCOc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1
InChIKeyMZZLGJHLQGUVPN-HAWMADMCSA-N
Roles Classification
Applications:
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
anticholesteremic drug  A substance used to lower plasma cholesterol levels.
antiatherosclerotic agent  A cardiovascular drug that prevents atherosclerosis (a disease in which the inside of an artery narrows due to the build up of plaque). Compare with antiatherogenic agent.
ChEBI Ontology
Outgoing Relation(s)
anacetrapib (CHEBI:750199) has role antiatherosclerotic agent (CHEBI:145947)
anacetrapib (CHEBI:750199) has role anticholesteremic drug (CHEBI:35821)
anacetrapib (CHEBI:750199) has role cardiovascular drug (CHEBI:35554)
anacetrapib (CHEBI:750199) is a (trifluoromethyl)benzenes (CHEBI:83565)
INN  Source
anacetrapibWHO MedNet
Synonyms  Source
MK-0859ChEMBL
MK0859ChEMBL
Citations