CHEBI:85188 - paritaprevir

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ChEBI Name paritaprevir
ChEBI ID CHEBI:85188
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C40H43N7O7S
Net Charge 0
Average Mass 765.87700
Monoisotopic Mass 765.294
InChI InChI=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
InChIKey UAUIUKWPKRJZJV-MDJGTQRPSA-N
SMILES Cc1cnc(cn1)C(=O)N[C@H]1CCCCC\C=C/[C@H]2C[C@]2(NC(=O)[C@@H]2C[C@H](CN2C1=O)Oc1nc2ccccc2c2ccccc12)C(=O)NS(=O)(=O)C1CC1
Roles Classification
Biological Role(s): 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(s): antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
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ChEBI Ontology
Outgoing 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 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 Sources
ABT 450 ChemIDplus
ABT450 ChemIDplus
Veruprevir ChemIDplus
Manual Xrefs Databases
D10580 KEGG DRUG
Paritaprevir Wikipedia
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Registry Numbers Types Sources
1216941-48-8 CAS Registry Number ChemIDplus
1216941-48-8 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
25644279 PubMed citation Europe PMC
25646891 PubMed citation Europe PMC
25680759 PubMed citation Europe PMC
25706092 PubMed citation Europe PMC
Last Modified
22 February 2017