loading...| Preferred Name |
lopinavir |
|
| 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 |
|
| 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 | ||
| chemical inhibits in vivo replication of virus | ||
| 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 |
|
| 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. |
|
| definition source |
PMID: 27344959; PMID: 26868298; PMID: 16837072 PMID: 26198719; PMID: 27344959; PMID: 26198719; PMID: 27344959; PMID: 14985565 |
|
| formula |
C37H48N4O5 |
|
| 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 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_149553 http://purl.obolibrary.org/obo/CHEBI_35660 |
|
| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:31781 |
|
| imported from | ||
| 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 |
|
| 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 |
|
| subClassOf |