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COVID-19 Ontology
Last uploaded:
February 25, 2021
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| Id | http://purl.obolibrary.org/obo/CHEBI_72291
http://purl.obolibrary.org/obo/CHEBI_72291
|
|---|---|
| Preferred Name | cobicistat |
| Definitions |
A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(morpholin-4-yl)butanoic acid with the amino group of 1,3-thiazol-5-ylmethyl [(2R,5R)-5-amino-1,6-diphenylhexan-2-yl]carbamate. Acts as a pharmacoenhancer in treatment of HIV-1 by inhibiting P450 enzymes that metabolise other medications..
|
| Synonyms |
cobicistatum
GS 9350
GS-9350
cobicistat
1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(morpholin-4-yl)butanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| definition | A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(morpholin-4-yl)butanoic acid with the amino group of 1,3-thiazol-5-ylmethyl [(2R,5R)-5-amino-1,6-diphenylhexan-2-yl]carbamate. Acts as a pharmacoenhancer in treatment of HIV-1 by inhibiting P450 enzymes that metabolise other medications.. |
|---|---|
| preferred label |
cobicistat
|
| label |
cobicistat
|
| prefLabel |
cobicistat
|
| database_cross_reference |
Patent:US2010256366
Drug_Central:4299
PMID:22833060
PMID:21348537
Wikipedia:Cobicistat
CAS:1004316-88-4
PMID:22766666
PMID:22886031
Reaxys:13088386
PMID:23136357
PMID:22732469
PMID:23243633
PMID:20043009
PMID:20683270
Patent:WO2008010921
Patent:WO2012151165
PMID:22850510
See more
See less
|
| notation |
CHEBI:72291
|
| in_subset | |
| inchi |
InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1
|
| has_related_synonym |
cobicistatum
GS 9350
GS-9350
cobicistat
|
| id |
CHEBI:72291
|
| charge |
0
|
| has_obo_namespace |
chebi_ontology
|
| see also | |
| textual definition |
A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(morpholin-4-yl)butanoic acid with the amino group of 1,3-thiazol-5-ylmethyl [(2R,5R)-5-amino-1,6-diphenylhexan-2-yl]carbamate. Acts as a pharmacoenhancer in treatment of HIV-1 by inhibiting P450 enzymes that metabolise other medications..
|
| formula |
C40H53N7O5S2
|
| subClassOf | |
| imported from | |
| fromArticle |
true
|
| inchikey |
ZCIGNRJZKPOIKD-CQXVEOKZSA-N
|
| mass |
776.02300
|
| monoisotopicmass |
775.35496
|
| type | |
| smiles |
CC(C)c1nc(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1
|
| alternative_term |
1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2S)-2-({[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}amino)-4-(morpholin-4-yl)butanoyl]amino}-1,6-diphenylhexan-2-yl]carbamate
|
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