Cobicistat
1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-[[(2S)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
Molecular Identity
Cobicistat
1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-[[(2S)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
PubChem CID: 25151504
Cobicistat is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(morpholin-4-yl)butanoic acid with the amino group of 1,3-thiazol-5-ylmethyl [(2R,5R)-5-amino-1,6-diphenylhexan-2-yl]carbamate. Acts as a pharmacoenhancer in treatment of HIV-1 by inhibiting P450 enzymes that metabolise other medications.. It has a role as a P450 inhibitor. It is a carbamate ester, a monocarboxylic acid amide, a member of 1,3-thiazoles, a member of morpholines and a member of ureas.
2D Structure
Properties
C40H53N7O5S2
Molecular Formula
776.00
Molecular Weight
g/mol
775.3550
Exact Mass
Da
5.7
XLogP
Above Lipinski threshold
195
TPSA
May have limited oral absorption
3
H-Bond Donors
10
H-Bond Acceptors
1120
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Cobicistat1004316-88-4GS-9350TybostGS 9350cobicistatum2,7,10,12-Tetraazatridecanoic acid, 12-methyl-13-[2-(1-methylethyl)-4-thiazolyl]-9-[2-(4-morpholinyl)ethyl]-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3R,6R,9S)-LW2E03M5PGCOBICISTAT, (R,R,S)-CHEBI:722911,3-thiazol-5-ylmethyl N-[(2R,5R)-5-[[(2S)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamateDTXSID00143269EVOTAZ COMPONENT COBICISTATGENVOYA COMPONENT COBICISTATSYMTUZA COMPONENT COBICISTAT
Data from PubChem (NCBI)
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