loading...| Preferred Name |
cobicistat |
|
| Synonyms |
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 GS-9350 cobicistatum cobicistat GS 9350 |
|
| 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.. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_72291 |
|
| charge |
0 |
|
| database_cross_reference |
Patent:US2010256366 PMID:22886031 PMID:22766666 Drug_Central:4299 PMID:21348537 Patent:WO2008010921 Wikipedia:Cobicistat PMID:22833060 PMID:20683270 PMID:22732469 PMID:23243633 Patent:WO2012151165 Reaxys:13088386 PMID:23136357 PMID:20043009 CAS:1004316-88-4 PMID:22850510 |
|
| 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 |
|
| has role | ||
| has_exact_synonym |
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 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
GS-9350 cobicistatum cobicistat GS 9350 |
|
| id |
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 |
|
| inchikey |
ZCIGNRJZKPOIKD-CQXVEOKZSA-N |
|
| label |
cobicistat |
|
| mass |
776.02300 |
|
| monoisotopicmass |
775.35496 |
|
| notation |
CHEBI:72291 |
|
| prefLabel |
cobicistat |
|
| 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 |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_47857 http://purl.obolibrary.org/obo/CHEBI_38785 http://purl.obolibrary.org/obo/CHEBI_38418 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_47857 http://purl.obolibrary.org/obo/CHEBI_38785 http://purl.obolibrary.org/obo/CHEBI_38418 |