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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H36F6N6O2
Molecular Weight 638.647
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EVACETRAPIB

SMILES

CN1N=NC(=N1)N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[C@H]3CCCN(C[C@H]4CC[C@@H](CC4)C(O)=O)C5=C3C=C(C)C=C5C

InChI

InChIKey=IHIUGIVXARLYHP-YBXDKENTSA-N
InChI=1S/C31H36F6N6O2/c1-18-11-19(2)27-25(12-18)26(5-4-10-42(27)16-20-6-8-22(9-7-20)28(44)45)43(29-38-40-41(3)39-29)17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37/h11-15,20,22,26H,4-10,16-17H2,1-3H3,(H,44,45)/t20-,22-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H36F6N6O2
Molecular Weight 638.647
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 22:10:37 UTC 2023
Edited
by admin
on Fri Dec 15 22:10:37 UTC 2023
Record UNII
51XWV9K850
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EVACETRAPIB
INN   MI   USAN   WHO-DD  
USAN   INN  
Official Name English
EVACETRAPIB [USAN]
Common Name English
TRANS-4-(((5S)-5-(((3,5-BIS(TRIFLUOROMETHYL)PHENYL)METHYL)(2-METHYL-2H-TETRAZOL-5-YL)AMINO)-7,9-DIMETHYL-2,3,4,5-TETRAHYDRO-1H-BENZAZEPIN-1-YL)METHYL)CYCLOHEXANECARBOXYLIC ACID
Common Name English
LY-2484595
Code English
LY2484595
Code English
(1R,4R)-4-(((5S)-5-(((3,5-BIS(TRIFLUOROMETHYL)PHENYL)METHYL)(2-METHYL-2H-TETRAZOL-5-YL)AMINO)-7,9-DIMETHYL-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-1-YL)METHYL)CYCLOHEXANE-1-CARBOXYLIC ACID
Common Name English
CYCLOHEXANECARBOXYLIC ACID, 4-(((5S)-5-(((3,5-BIS(TRIFLUOROMETHYL)PHENYL)METHYL((2-METHYL-2H-TETRAZOL-5-YL)AMINO)-2,3,4,5-TETRAHYDRO-7,9-DIMETHYL-1H-1-BENZAZEPIN-1-YL)METHYL)-, TRANS-
Common Name English
evacetrapib [INN]
Common Name English
CYCLOHEXANECARBOXYLIC ACID, 4-(((5S)-5-(((3,5-BIS(TRIFLUOROMETHYL)PHENYL)METHYL)(2-METHYL-2H-TETRAZOL-5-YL)AMINO)-2,3,4,5-TETRAHYDRO-7,9-DIMETHYL-1H-1-BENZAZEPIN-1-YL)METHYL)-, TRANS-
Common Name English
EVACETRAPIB [MI]
Common Name English
Evacetrapib [WHO-DD]
Common Name English
Code System Code Type Description
WIKIPEDIA
EVACETRAPIB
Created by admin on Fri Dec 15 22:10:37 UTC 2023 , Edited by admin on Fri Dec 15 22:10:37 UTC 2023
PRIMARY
DRUG BANK
DB11655
Created by admin on Fri Dec 15 22:10:37 UTC 2023 , Edited by admin on Fri Dec 15 22:10:37 UTC 2023
PRIMARY
NCI_THESAURUS
C166804
Created by admin on Fri Dec 15 22:10:37 UTC 2023 , Edited by admin on Fri Dec 15 22:10:37 UTC 2023
PRIMARY
CAS
1186486-62-3
Created by admin on Fri Dec 15 22:10:37 UTC 2023 , Edited by admin on Fri Dec 15 22:10:37 UTC 2023
PRIMARY
EVMPD
SUB189015
Created by admin on Fri Dec 15 22:10:37 UTC 2023 , Edited by admin on Fri Dec 15 22:10:37 UTC 2023
PRIMARY
ChEMBL
CHEMBL2017179
Created by admin on Fri Dec 15 22:10:37 UTC 2023 , Edited by admin on Fri Dec 15 22:10:37 UTC 2023
PRIMARY
EPA CompTox
DTXSID801026275
Created by admin on Fri Dec 15 22:10:37 UTC 2023 , Edited by admin on Fri Dec 15 22:10:37 UTC 2023
PRIMARY
SMS_ID
100000174866
Created by admin on Fri Dec 15 22:10:37 UTC 2023 , Edited by admin on Fri Dec 15 22:10:37 UTC 2023
PRIMARY
FDA UNII
51XWV9K850
Created by admin on Fri Dec 15 22:10:37 UTC 2023 , Edited by admin on Fri Dec 15 22:10:37 UTC 2023
PRIMARY
MERCK INDEX
m5217
Created by admin on Fri Dec 15 22:10:37 UTC 2023 , Edited by admin on Fri Dec 15 22:10:37 UTC 2023
PRIMARY Merck Index
USAN
XX-71
Created by admin on Fri Dec 15 22:10:37 UTC 2023 , Edited by admin on Fri Dec 15 22:10:37 UTC 2023
PRIMARY
INN
9442
Created by admin on Fri Dec 15 22:10:37 UTC 2023 , Edited by admin on Fri Dec 15 22:10:37 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
SOLVATE->ANHYDROUS
TARGET -> INHIBITOR
Evacetrapib did not impact aldosterone levels or blood pressure, even while achieving more substantial modulation of HDL and LDL levels than torcetrapib. Unfortunately, it also did not offer clinical benefit in terms of reducing CV events and has been discontinued.
Related Record Type Details
ACTIVE MOIETY