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CHEBI:37924 - atazanavir

Default Structure
ChEBI IDCHEBI:37924
ChEBI Nameatazanavir
Stars
DefinitionA heavily substituted carbohydrazide that is an antiretroviral drug of the protease inhibitor (PI) class used to treat infection of human immunodeficiency virus (HIV).
Last Modified15 September 2014
DownloadsMolfile
FormulaC38H52N6O7
Net Charge0
Average Mass704.869
Monoisotopic Mass704.38975
SMILESCOC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C
InChIInChI=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
InChIKeyAXRYRYVKAWYZBR-GASGPIRDSA-N
Wikipedia
Roles Classification
Biological Roles:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
antiviral agent  A substance that destroys or inhibits replication of viruses.
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
HIV protease inhibitor  An inhibitor of HIV protease, an enzyme required for production of proteins needed for viral assembly.
Applications:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
hypoglycemic agent  A drug which lowers the blood glucose level.
ChEBI Ontology
Outgoing Relation(s)
atazanavir (CHEBI:37924) has role anti-HIV agent (CHEBI:64946)
atazanavir (CHEBI:37924) has role antineoplastic agent (CHEBI:35610)
atazanavir (CHEBI:37924) has role antiviral agent (CHEBI:22587)
atazanavir (CHEBI:37924) has role antiviral drug (CHEBI:36044)
atazanavir (CHEBI:37924) has role HIV protease inhibitor (CHEBI:35660)
atazanavir (CHEBI:37924) has role hypoglycemic agent (CHEBI:35526)
atazanavir (CHEBI:37924) is a carbohydrazide (CHEBI:35363)
Incoming Relation(s)
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  Source
atazanavirChemIDplus
atazanavirumChEBI
Synonyms  Source
ATZChemIDplus
CGP-73547ChEMBL
Brand Names  Source
LatazanavirDrugBank
ZrivadaDrugBank
Manual XrefsDatabases
AtazanavirWikipedia
D07471KEGG DRUG
DB01072DrugBank
Registry NumbersSources
Reaxys:8101951Reaxys
CAS:198904-31-3ChemIDplus
Citations