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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Id | http://purl.obolibrary.org/obo/CHEBI_31781
http://purl.obolibrary.org/obo/CHEBI_31781
|
|---|---|
| Preferred Name | 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.
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| Synonyms |
Lopinavir
(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
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| 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. |
|---|---|
| label |
lopinavir
|
| prefLabel |
lopinavir
|
| database_cross_reference |
PMID:24906762
Reaxys:9309881
HMDB:HMDB0015539
PMID:25120613
PDBeChem:AB1
CAS:192725-17-0
DrugBank:DB01601
PMID:24518130
KEGG:C12871
PMID:24958908
LINCS:LSM-6027
KEGG:D01425
PMID:24566184
PMID:24014186
Drug_Central:1601
PMID:24805184
See more
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|
| notation |
CHEBI:31781
|
| in_subset | |
| 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
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| id |
CHEBI:31781
|
| charge |
0
|
| has_obo_namespace |
chebi_ontology
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| formula |
C37H48N4O5
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| subClassOf | |
| inchikey |
KJHKTHWMRKYKJE-SUGCFTRWSA-N
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| mass |
628.80080
|
| monoisotopicmass |
628.36247
|
| type | |
| 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
|
| has role | |
| has_exact_synonym |
Lopinavir
(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
|
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