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CHEBI:145924 - Kaletra

Default Structure
ChEBI IDCHEBI:145924
ChEBI NameKaletra
Stars
DefinitionA mixture containing lopinavir and ritonavir. It is a prescription medicine that is used with other antiretroviral medicines to treat Human Immunodeficiency Virus-1 (HIV-1) infection in adults and children 14 days of age and older.
Last Modified23 April 2020
SubmitterAdnan
DownloadsMolfile
FormulaC37H48N4O5.C37H48N6O5S2
Net Charge0
Average Mass1349.776
Monoisotopic Mass1348.67523
SMILESCC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1.Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O
InChIInChI=1S/C37H48N6O5S2.C37H48N4O5/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30;1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46);5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t28-,31-,32-,33-;30-,31-,32-,34-/m00/s1
InChIKeyOFFWOVJBSQMVPI-RMLGOCCBSA-N
Wikipedia
Roles Classification
Biological Roles:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
HIV protease inhibitor  An inhibitor of HIV 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)
Kaletra (CHEBI:145924) has part lopinavir (CHEBI:31781)
Kaletra (CHEBI:145924) has part ritonavir (CHEBI:45409)
Kaletra (CHEBI:145924) has role anticoronaviral agent (CHEBI:149553)
Kaletra (CHEBI:145924) has role antiviral drug (CHEBI:36044)
Kaletra (CHEBI:145924) has role HIV protease inhibitor (CHEBI:35660)
Kaletra (CHEBI:145924) is a mixture (CHEBI:60004)
Synonyms  Source
ABT-378 & ABT-538ChEBI
lopinavir and ritonavirKEGG DRUG
lopinavir mixture with ritonavirChEBI
lopinavir & ritonavirChEBI
lopinavir-ritonavirChEBI
lopinavir/ritonavirChemIDplus
Brand Names  Source
AluviaChemIDplus
KaletraChemIDplus
LopimuneChEBI
Manual XrefsDatabases
D02498KEGG DRUG
Lopinavir/ritonavirWikipedia
Registry NumbersSources
CAS:369372-47-4ChemIDplus
Citations