Details of the Drug

General Information of Drug (ID: DMAZHT0)

Drug Name
TA-8995
Synonyms
Obicetrapib; UNII-8O74K609HN; 8O74K609HN; 866399-87-3; Obicetrapib [INN]; CHEMBL3785197; SCHEMBL17002081; AMG-899; DEZ-001; Obicetrapib (AMG-899 TA-8995); AKOS032954130; HY-18778; 4-((2-(((3,5-Bis(trifluoromethyl)phenyl)methyl)((2R,4S)-1- (ethoxycarbonyl)-2-ethyl-6-(trifluoromethyl)-1,2,3,4- tetrahydroquinolin-4-yl)amino)pyrimidin-5-yl)oxy)butanoic acid; 1(2H)-Quinolinecarboxylic acid, 4-(((3,5-bis(trifluoromethyl)phenyl)methyl)(5-(3-carboxypropoxy)-2-pyrimidinyl)amino)-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-,
Indication
Disease Entry ICD 11 Status REF
Cardiovascular disease BA00-BE2Z Phase 2 [1]
Hyperlipidaemia 5C80 Phase 2 [2]
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 4 Molecular Weight (mw) 722.6
Logarithm of the Partition Coefficient (xlogp) 7.4
Rotatable Bond Count (rotbonds) 12
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 17
Chemical Identifiers
Formula
C32H31F9N4O5
IUPAC Name
4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2R,4S)-1-ethoxycarbonyl-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyrimidin-5-yl]oxybutanoic acid
Canonical SMILES
CC[C@@H]1C[C@@H](C2=C(N1C(=O)OCC)C=CC(=C2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NC=C(C=N4)OCCCC(=O)O
InChI
InChI=1S/C32H31F9N4O5/c1-3-22-14-26(24-13-19(30(33,34)35)7-8-25(24)45(22)29(48)49-4-2)44(28-42-15-23(16-43-28)50-9-5-6-27(46)47)17-18-10-20(31(36,37)38)12-21(11-18)32(39,40)41/h7-8,10-13,15-16,22,26H,3-6,9,14,17H2,1-2H3,(H,46,47)/t22-,26+/m1/s1
InChIKey
NRWORBQAOQVYBJ-GJZUVCINSA-N
Cross-matching ID
PubChem CID
11498596
CAS Number
866399-87-3
TTD ID
D0G7MM
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cholesteryl ester transfer protein (CETP) TTFQAYR CETP_HUMAN Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Cardiovascular disease
ICD Disease Classification BA00-BE2Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Cholesteryl ester transfer protein (CETP) DTT CETP 8.86E-01 -0.1 -0.6
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 ClinicalTrials.gov (NCT01970215) TA-8995: Its Use in Patients With Mild Dyslipidaemia (TULIP). U.S. National Institutes of Health.
3 Amgen To Acquire Privately-Held Dezima Pharma