EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:49203 - torcetrapib

ChEBI IDCHEBI:49203
ChEBI Nametorcetrapib
Stars
Last Modified1 June 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC26H25F9N2O4
Net Charge0
Average Mass600.478
Monoisotopic Mass600.16706
SMILESCCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC)C[C@H]1CC
InChIInChI=1S/C26H25F9N2O4/c1-4-18-12-21(19-11-15(24(27,28)29)6-7-20(19)37(18)23(39)41-5-2)36(22(38)40-3)13-14-8-16(25(30,31)32)10-17(9-14)26(33,34)35/h6-11,18,21H,4-5,12-13H2,1-3H3/t18-,21+/m1/s1
InChIKeyCMSGWTNRGKRWGS-NQIIRXRSSA-N
Roles Classification
Biological Role:
CETP inhibitor  Any inhibitor of cholesterylester transfer protein (CETP), which transfers cholesterol from high density lipoproteins (HDL, the 'good' cholesterol-containing particles) to low or very low density lipoproteins (LDL or VLDL, the 'bad' cholesterol-containing particles). Inhibition of this process results in higher HDL levels and lower LDL levels. CETP inhibitors are under investigation as potential drugs to reduce the risk of arteriosclerotic vascular disease (atherosclerosis).
Application:
anticholesteremic drug  A substance used to lower plasma cholesterol levels.
ChEBI Ontology
Outgoing Relation(s)
torcetrapib (CHEBI:49203) has role anticholesteremic drug (CHEBI:35821)
torcetrapib (CHEBI:49203) has role CETP inhibitor (CHEBI:49205)
torcetrapib (CHEBI:49203) is a (trifluoromethyl)benzenes (CHEBI:83565)
torcetrapib (CHEBI:49203) is a carbamate ester (CHEBI:23003)
torcetrapib (CHEBI:49203) is a quinolines (CHEBI:26513)
IUPAC Name 
ethyl (2R,4S)-4-{[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2H)-carboxylate
Synonym  Source
(2R,4S)-4-((3,5-bis-trifluoromethylbenzyl)methoxycarbonylamino)-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid ethyl esterChEBI
Manual XrefsDatabases
D06195KEGG DRUG
Registry NumbersSources
CAS:262352-17-0ChemIDplus