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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:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
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