CHEBI:82960 - raltegravir

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ChEBI Name raltegravir
ChEBI ID CHEBI:82960
Definition A pyrimidone that is pyrimidin-4(3H)-one in which the hydrogens at positions 2, 3, 5 and 6 are replaced by 2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl, methyl, hydroxy, and N-[(4-fluorophenyl)methyl]aminoacyl groups, respectively. It is an antiretroviral drug used for treatment of HIV infection.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C20H21FN6O5
Net Charge 0
Average Mass 444.423
Monoisotopic Mass 444.15575
InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)
InChIKey CZFFBEXEKNGXKS-UHFFFAOYSA-N
SMILES CN1C(=O)C(O)=C(N=C1C(C)(C)NC(=O)C1=NN=C(C)O1)C(=O)NCC1=CC=C(F)C=C1
Roles Classification
Biological Role(s): antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
HIV-1 integrase inhibitor
An inhibitor of HIV-1 integrase, an enzyme required for the integration of the genetic material of the retrovirus into the DNA of the infected cells.
Application(s): antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing raltegravir (CHEBI:82960) has role antiviral drug (CHEBI:36044)
raltegravir (CHEBI:82960) has role HIV-1 integrase inhibitor (CHEBI:67268)
raltegravir (CHEBI:82960) is a 1,2,4-oxadiazole (CHEBI:46809)
raltegravir (CHEBI:82960) is a dicarboxylic acid amide (CHEBI:23690)
raltegravir (CHEBI:82960) is a hydroxypyrimidine (CHEBI:38340)
raltegravir (CHEBI:82960) is a monofluorobenzenes (CHEBI:83575)
raltegravir (CHEBI:82960) is a pyrimidone (CHEBI:38337)
raltegravir (CHEBI:82960) is a secondary carboxamide (CHEBI:140325)
IUPAC Name
N-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-(2-{[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino}propan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide
INNs Sources
raltegravir WHO MedNet
raltegravir WHO MedNet
raltégravir WHO MedNet
raltegravirum WHO MedNet
Synonyms Sources
MK 0518 ChemIDplus
MK-0518 DrugCentral
MK0518 DrugCentral
Manual Xrefs Databases
16445111 ChemSpider
2352 DrugCentral
D06676 KEGG DRUG
DB06817 DrugBank
LSM-5233 LINCS
Raltegravir Wikipedia
RLT PDBeChem
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Registry Numbers Types Sources
10696228 Reaxys Registry Number Reaxys
518048-05-0 CAS Registry Number ChemIDplus
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Last Modified
19 May 2021