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CHEBI:85188 - paritaprevir

ChEBI IDCHEBI:85188
ChEBI Nameparitaprevir
Stars
DefinitionAn azamacrocycle which is used which is in combination with dasabuvir sodium hydrate, ombitasvir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC40H43N7O7S
Net Charge0
Average Mass765.893
Monoisotopic Mass765.29447
SMILES[H][C@@]12C[C@@H](Oc3nc4ccccc4c4ccccc34)CN1C(=O)[C@@H](NC(=O)c1cnc(C)cn1)CCCCC/C=C\[C@@]1([H])C[C@@]1(C(=O)NS(=O)(=O)C1CC1)NC2=O
InChIInChI=1S/C40H43N7O7S/c1-24-21-42-33(22-41-24)35(48)43-32-16-6-4-2-3-5-11-25-20-40(25,39(51)46-55(52,53)27-17-18-27)45-36(49)34-19-26(23-47(34)38(32)50)54-37-30-14-8-7-12-28(30)29-13-9-10-15-31(29)44-37/h5,7-15,21-22,25-27,32,34H,2-4,6,16-20,23H2,1H3,(H,43,48)(H,45,49)(H,46,51)/b11-5-/t25-,26+,32-,34-,40+/m0/s1
InChIKeyUAUIUKWPKRJZJV-MDJGTQRPSA-N
Wikipedia
Roles Classification
Biological Roles:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
hepatitis C protease inhibitor  An inhibitor of hepatitis C protease, an enzyme required for production of proteins needed for viral assembly.
Application:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
ChEBI Ontology
Outgoing Relation(s)
paritaprevir (CHEBI:85188) has role antiviral drug (CHEBI:36044)
paritaprevir (CHEBI:85188) has role hepatitis C protease inhibitor (CHEBI:64924)
paritaprevir (CHEBI:85188) is a N-sulfonylcarboxamide (CHEBI:90852)
paritaprevir (CHEBI:85188) is a aromatic amide (CHEBI:62733)
paritaprevir (CHEBI:85188) is a aromatic ether (CHEBI:35618)
paritaprevir (CHEBI:85188) is a azamacrocycle (CHEBI:52898)
paritaprevir (CHEBI:85188) is a cyclopropanes (CHEBI:51454)
paritaprevir (CHEBI:85188) is a lactam (CHEBI:24995)
paritaprevir (CHEBI:85188) is a phenanthridines (CHEBI:51245)
paritaprevir (CHEBI:85188) is a pyrazines (CHEBI:38314)
Incoming Relation(s)
Technivie (CHEBI:90919) has part paritaprevir (CHEBI:85188)
Viekira Pak (CHEBI:85177) has part paritaprevir (CHEBI:85188)
IUPAC Name 
(2R,6S,12Z,13aR,14aR,16aS)-N-(cyclopropanesulfonyl)-6-[(5-methylpyrazine-2-carbonyl)amino]-5,16-dioxo-2-[(phenanthridin-6-yl)oxy]-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide
Synonyms  Source
ABT 450ChemIDplus
VeruprevirChemIDplus
ABT450ChemIDplus
Manual XrefsDatabases
D10580KEGG DRUG
ParitaprevirWikipedia
Registry NumbersSources
CAS:1216941-48-8KEGG DRUG
CAS:1216941-48-8ChemIDplus
Citations