Coronavirus Infectious Disease Ontology

Last uploaded: February 16, 2024
Preferred Name

lopinavir

Synonyms

(2S)-N-[(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide

Lopinavir

Definitions

A dicarboxylic acid diamide that is amphetamine is substituted on nitrogen by a (2,6-dimethylphenoxy)acetyl group and on the carbon alpha- to nitrogen by a (1S,3S)-1-hydroxy-3-{[(2S)-3-methyl-2-(2-oxotetrahydropyrimidin-1-yl)butanoyl]amino}-4-phenylbutyl group. An antiretroviral of the protease inhibitor class, it is used against HIV infections as a fixed-dose combination with another protease inhibitor, ritonavir.

ID

http://purl.obolibrary.org/obo/CHEBI_31781

charge

0

chemical inhibits in vitro replication of virus

http://purl.obolibrary.org/obo/NCBITaxon_694009

http://purl.obolibrary.org/obo/NCBITaxon_1335626

chemical inhibits in vivo replication of virus

http://purl.obolibrary.org/obo/NCBITaxon_694009

http://purl.obolibrary.org/obo/NCBITaxon_1335626

database_cross_reference

KEGG:D01425

CAS:192725-17-0

KEGG:C12871

HMDB:HMDB0015539

PMID:24566184

PMID:24906762

PMID:24014186

DrugBank:DB01601

PMID:24958908

Reaxys:9309881

PDBeChem:AB1

PMID:24518130

PMID:25120613

PMID:24805184

Drug_Central:1601

LINCS:LSM-6027

definition source

PMID: 27344959; PMID: 26868298; PMID: 16837072

PMID: 26198719; PMID: 27344959; PMID: 26198719; PMID: 27344959; PMID: 14985565

formula

C37H48N4O5

has exact synonym

(2S)-N-[(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide

Lopinavir

has role

http://purl.obolibrary.org/obo/CHEBI_149553

http://purl.obolibrary.org/obo/CHEBI_35660

http://purl.obolibrary.org/obo/CHEBI_36044

http://purl.obolibrary.org/obo/CIDO_0000257

has_obo_namespace

chebi_ontology

id

CHEBI:31781

imported from

http://purl.obolibrary.org/obo/chebi.owl

in subset

http://purl.oboInOwllibrary.org/oboInOwl/chebi#3_STAR

inchi

InChI=1S/C37H48N4O5/c1-25(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/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1

inchikey

KJHKTHWMRKYKJE-SUGCFTRWSA-N

label

lopinavir

mass

628.80080

monoisotopicmass

628.36247

notation

CHEBI:31781

prefLabel

lopinavir

smiles

CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1

textual definition

A dicarboxylic acid diamide that is amphetamine is substituted on nitrogen by a (2,6-dimethylphenoxy)acetyl group and on the carbon alpha- to nitrogen by a (1S,3S)-1-hydroxy-3-{[(2S)-3-methyl-2-(2-oxotetrahydropyrimidin-1-yl)butanoyl]amino}-4-phenylbutyl group. An antiretroviral of the protease inhibitor class, it is used against HIV infections as a fixed-dose combination with another protease inhibitor, ritonavir.

subClassOf

http://purl.obolibrary.org/obo/CHEBI_35779

http://purl.obolibrary.org/obo/CHEBI_35338

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Delete Mapping To Ontology Source
http://purl.obolibrary.org/obo/CHEBI_31781 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31781 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31781 FIDEO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31781 INBANCIDO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31781 HOIP SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31781 COVID-19 SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31781 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31781 TXPO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_31781 DRON SAME_URI
http://purl.obolibrary.org/obo/XCO_0001172 XCO LOOM
http://purl.obolibrary.org/obo/XCO_0001172 XCO LOOM
http://purl.obolibrary.org/obo/CHEBI_31781 CHEBI LOOM
http://purl.bioontology.org/ontology/VANDF/4021228 VANDF LOOM
http://purl.bioontology.org/ontology/LNC/LP28756-2 LOINC LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148672 NDFRT LOOM
http://purl.bioontology.org/ontology/NDDF/008874 NDDF LOOM
https://go.drugbank.com/drugs/DB01601 MDM LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D061466 RH-MESH LOOM
http://scai.fraunhofer.de/HuPSON#SCAIVPH_00001129 HUPSON LOOM
http://evs.nci.nih.gov/ftp1/NDF-RT/NDF-RT.owl#N0000148672 INBANCIDO LOOM
http://purl.obolibrary.org/obo/dinto_DB01601 DINTO LOOM
http://purl.obolibrary.org/obo/NCIT_C2095 BERO LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#42574 OCHV LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0674432 OCHV LOOM
http://purl.obolibrary.org/obo/MESH_D061466 BERO LOOM
http://purl.obolibrary.org/obo/DRON_00016421 INBANCIDO LOOM
http://purl.bioontology.org/ontology/MESH/D061466 MESH LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/387067003 SNOMEDCT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C2095 NCIT LOOM
http://purl.obolibrary.org/obo/CHEBI_31781 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_31781 FIDEO LOOM
http://purl.obolibrary.org/obo/CHEBI_31781 INBANCIDO LOOM
http://purl.obolibrary.org/obo/CHEBI_31781 HOIP LOOM
http://purl.obolibrary.org/obo/CHEBI_31781 COVID-19 LOOM
http://purl.obolibrary.org/obo/CHEBI_31781 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_31781 TXPO LOOM
http://purl.obolibrary.org/obo/CHEBI_31781 DRON LOOM
http://www.phoc.org.cn/pmo/class/PMO_00018468 PMAPP-PMO LOOM
http://purl.obolibrary.org/obo/OMIT_0027975 OMIT LOOM
http://purl.bioontology.org/ontology/LNC/MTHU014678 LOINC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.383.742.698.553 RH-MESH LOOM
http://purl.bioontology.org/ontology/CSP/5006-0022 CRISP LOOM
http://purl.bioontology.org/ontology/RXNORM/195088 RXNORM LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000540623 PDQ LOOM

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