CHEBI:37924 - atazanavir

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ChEBI Name atazanavir
ChEBI ID CHEBI:37924
Definition A heavily substituted carbohydrazide that is an antiretroviral drug of the protease inhibitor (PI) class used to treat infection of human immunodeficiency virus (HIV).
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C38H52N6O7
Net Charge 0
Average Mass 704.85550
Monoisotopic Mass 704.390
InChI InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1
InChIKey AXRYRYVKAWYZBR-GASGPIRDSA-N
SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C
Roles Classification
Biological Role(s): HIV protease inhibitor
An inhibitor of HIV protease, an enzyme required for production of proteins needed for viral assembly.
antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
Application(s): antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
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ChEBI Ontology
Outgoing atazanavir (CHEBI:37924) has role antiviral drug (CHEBI:36044)
atazanavir (CHEBI:37924) has role HIV protease inhibitor (CHEBI:35660)
atazanavir (CHEBI:37924) is a carbohydrazide (CHEBI:35363)
Incoming atazanavir sulfate (CHEBI:31243) has part atazanavir (CHEBI:37924)
IUPAC Name
dimethyl (3S,8S,9S,12S)-9-benzyl-3,12-di-tert-butyl-8-hydroxy-4,11-dioxo-6-[4-(2-pyridyl)benzyl]-2,5,6,10,13-pentaazatetradecanedioate
INNs Sources
atazanavir ChemIDplus
atazanavirum ChEBI
Synonym Source
ATZ ChemIDplus
Brand Names Sources
Latazanavir Deprecated term DrugBank
Zrivada Deprecated term DrugBank
Manual Xrefs Databases
Atazanavir Wikipedia
D07471 KEGG DRUG
DB01072 DrugBank
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Registry Numbers Types Sources
198904-31-3 CAS Registry Number ChemIDplus
8101951 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15156449 PubMed citation Europe PMC
15353575 PubMed citation Europe PMC
15645003 PubMed citation Europe PMC
15737947 PubMed citation Europe PMC
17376023 PubMed citation Europe PMC
17619250 PubMed citation Europe PMC
18389089 PubMed citation Europe PMC
24108452 PubMed citation Europe PMC
24314017 PubMed citation Europe PMC
25017682 PubMed citation Europe PMC
Last Modified
15 September 2014