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اواستراپیب

Structure via PubChem · Public domain (PubChem)

EntityQ553129· pop 6· linked from 90 articles

اواستراپیب

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Evacetrapib was a drug under development by Eli Lilly and Company (investigational name LY2484595) that inhibits cholesterylester transfer protein (CETP inhibitor). CETP collects triglycerides from very low-density lipoproteins (VLDL) or low-density lipoproteins (LDL) and exchanges them for cholesteryl esters from high-density lipoproteins (HDL), and vice versa, but primarily increasing high-density lipoprotein and lowering low-density lipoprotein. It is thought that modifying lipoprotein levels modifies the risk of cardiovascular disease. The first CETP inhibitor, torcetrapib, was unsuccessfu

Chemical data

Formula
C31H36F6N6O2
Molecular weight
638.6 g/mol
IUPAC name
4-[[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexane-1-carboxylic acid
SMILES
CC1=CC(=C2C(=C1)[C@H](CCCN2CC3CCC(CC3)C(=O)O)N(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=NN(N=N5)C)C
InChIKey
IHIUGIVXARLYHP-UXNJHFGPSA-N
XLogP
7.7
Polar surface area
87.4 Ų
H-bond donors
1
H-bond acceptors
13
Formal charge
0

via PubChem

Drug data · ChEMBL

Max clinical phase
Phase 3
Molecule type
Small molecule
Indications
cardiovascular disease, Disorder of lipid metabolism, Hypercholesterolemia, hyperlipidemia

via ChEMBL · EBI

Wikidata facts

Subclass of
carboxylic acid
Mass
638.280394
Show 3 more facts
isomeric SMILES
OC(=O)C1CCC(CC1)CN2CCC[C@@H](C3=C2C(C)=CC(=C3)C)N(C=4N=NN(N4)C)CC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F
canonical SMILES
OC(=O)C1CCC(CC1)CN2CCCC(C3=C2C(C)=CC(=C3)C)N(C=4N=NN(N4)C)CC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F
chemical formula
C₃₁H₃₆F₆N₆O₂
Sources (1)

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