CHEBI:4379 - delavirdine mesylate

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ChEBI Name delavirdine mesylate
ChEBI ID CHEBI:4379
Definition The monomethanesulfonic acid salt of delavirdine, a non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1. Viral resistance emerges rapidly when delavirdine is used alone, so it is therefore used (as the methanesulfonic acid salt) with other antiretrovirals for combination therapy of HIV infection.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:185233, CHEBI:605091
Supplier Information
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Formulae C23H32N6O6S2
C23H32N6O6S2
Net Charge 0
Average Mass 552.66700
Monoisotopic Mass 552.18248
InChI InChI=1S/C22H28N6O3S.CH4O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20;1-5(2,3)4/h4-8,13-15,24-26H,9-12H2,1-3H3;1H3,(H,2,3,4)
InChIKey MEPNHSOMXMALDZ-UHFFFAOYSA-N
SMILES CS(O)(=O)=O.CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Roles Classification
Biological Role(s): antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
HIV-1 reverse transcriptase inhibitor
An entity which inhibits the activity of HIV-1 reverse transcriptase.
Application(s): antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing delavirdine mesylate (CHEBI:4379) has part delavirdine (CHEBI:119573)
delavirdine mesylate (CHEBI:4379) has role antiviral drug (CHEBI:36044)
delavirdine mesylate (CHEBI:4379) has role HIV-1 reverse transcriptase inhibitor (CHEBI:53756)
delavirdine mesylate (CHEBI:4379) is a methanesulfonate salt (CHEBI:38037)
IUPAC Name
N-[2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-5-yl]methanesulfonamide methanesulfonate
INN Source
delavirdine mesilate ChEBI
Synonyms Sources
1-(3-(isopropylamino)-2-pyridyl)-4-((5-methanesulfonamidoindol-2-yl)carbonyl)piperazine monomethanesulfonate ChemIDplus
Delavirdine mesilate KEGG COMPOUND
DELAVIRDINE MESYLATE ChEMBL
Delavirdine mesylate KEGG COMPOUND
delavirdine methanesulfonate ChEBI
delavirdine monomethanesulfonate ChemIDplus
N-{2-[4-(3-Isopropylamino-pyridin-2-yl)-piperazine-1-carbonyl]-1H-indol-5-yl}-methanesulfonamide; compound with methanesulfonic acid ChEMBL
Manual Xrefs Databases
C08087 KEGG COMPOUND
D00895 KEGG DRUG
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Registry Numbers Types Sources
147221-93-0 CAS Registry Number ChemIDplus
7617470 Beilstein Registry Number Beilstein
Last Modified
06 July 2010