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Chemical Entities of Biological Interest Ontology
| Preferred Name | ritonavir | |
| Synonyms |
ritonavir N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N(2)-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide |
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| Definitions |
An L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_45409 |
|
| charge |
0
|
|
| database_cross_reference |
PMID:11363086 PMID:38578027 CAS:155213-67-5 PMID:9278209 Reaxys:768009 PMID:8568292 PMID:11996889 LINCS:LSM-5623 HMDB:HMDB0014646 PMID:38609668 PMID:11363184 Wikipedia:Ritonavir PMID:24202050 PMID:11363517 PMID:11363300 PMID:9140265 PMID:11363329 PMID:9585800 PDBeChem:RIT Drug_Central:2391 KEGG:D00427 PMID:11363397 KEGG:C07240
|
|
| definition |
An L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.
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|
| formula |
C37H48N6O5S2
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|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_35660 |
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| has_alternative_id |
CHEBI:8873
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| has_exact_synonym |
N-[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-N(2)-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-L-valinamide
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|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
ritonavir
|
|
| id |
CHEBI:45409
|
|
| in_subset | ||
| inchi |
InChI=1S/C37H48N6O5S2/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/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1
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|
| inchikey |
NCDNCNXCDXHOMX-XGKFQTDJSA-N
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|
| label |
ritonavir
|
|
| mass |
720.94400
|
|
| monoisotopicmass |
720.31276
|
|
| notation |
CHEBI:45409
|
|
| prefLabel |
ritonavir
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|
| smiles |
CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1
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|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_47857 http://purl.obolibrary.org/obo/CHEBI_38418 http://purl.obolibrary.org/obo/CHEBI_23003 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_47857 http://purl.obolibrary.org/obo/CHEBI_38418 http://purl.obolibrary.org/obo/CHEBI_23003 |
| Delete | Subject | Author | Type | Created |
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