Elvitegravir
6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid
Molecular Identity
Elvitegravir
6-[(3-chloro-2-fluorophenyl)methyl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid
PubChem CID: 5277135
Elvitegravir is a quinolinemonocarboxylic acid that is 7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid substited at position 1 by a 1-hydroxy-3-methylbutan-2-yl group and at position 6 by a 3-chloro-2-fluorobenzyl group (the S-enantiomer). It is used in combination therapy for the treatment of HIV-1 infection. It has a role as a HIV-1 integrase inhibitor. It is a quinolone, a quinolinemonocarboxylic acid, an aromatic ether, an organofluorine compound and a member of monochlorobenzenes.
2D Structure
Properties
C23H23ClFNO5
Molecular Formula
447.90
Molecular Weight
g/mol
447.1249
Exact Mass
Da
5.3
XLogP
Above Lipinski threshold
87.1
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
701
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C(CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)OIsomeric SMILES
SMILES: CC(C)[C@@H](CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)OSynonyms(20)
Elvitegravir697761-98-1GS-9137JTK-303VitektaGS 9137JTK 303elvitegravirumJTK303CHEBI:72289GS91374GDQ854U536-(3-chloro-2-fluorobenzyl)-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acidDTXSID101021650VITEKTA COMPONENT ELVITEGRAVIR
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Elvitegravir
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