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COVID-19 Ontology
Last uploaded:
February 25, 2021
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| Preferred Name | daclatasvir | |
| Synonyms |
Dimethyl N,N'-(biphenyl-4,4'-diylbis{1H-imidazole-5,2-diyl-((2S)-pyrrolidine-2,1- diyl)((1S)-1-(1-methylethyl)-2-oxoethane-2,1-diyl)})dicarbamate BMS 790052 BMS-790052 BMS790052 methyl [(2S)-1-{(2S)-2-[4-(4'-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}biphenyl-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate |
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| Definitions |
A member of the class of biphenyls that is a potent inhibitor of nonstructural protein 5A and is used (as its hydrochloride salt) for treatment of hepatitis C. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_82977 |
|
| alternative_term |
methyl [(2S)-1-{(2S)-2-[4-(4'-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}biphenyl-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate
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|
| charge |
0
|
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| database_cross_reference |
PMID:24451151 Wikipedia:Daclatasvir PMID:25117173 PMID:25117197 Drug_Central:4875 PMID:23403428 PMID:23931586 PMID:23089758 PMID:25311593 PMID:23431163 PMID:23177287 PMID:24372205 PMID:24343001 CAS:1009119-64-5 PMID:23684844 PMID:25365735 PMID:24612030 Reaxys:13077731 PMID:24451122 PMID:24169581 PMID:24623983 PMID:25080450 PMID:24448487 KEGG:D10065
|
|
| definition |
A member of the class of biphenyls that is a potent inhibitor of nonstructural protein 5A and is used (as its hydrochloride salt) for treatment of hepatitis C.
|
|
| DrugsinVirtualScreening |
true
|
|
| formula |
C40H50N8O6
|
|
| fromArticle |
true
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Dimethyl N,N'-(biphenyl-4,4'-diylbis{1H-imidazole-5,2-diyl-((2S)-pyrrolidine-2,1- diyl)((1S)-1-(1-methylethyl)-2-oxoethane-2,1-diyl)})dicarbamate BMS 790052 BMS-790052 BMS790052
|
|
| id |
CHEBI:82977
|
|
| imported from | ||
| in_subset | ||
| inchi |
InChI=1S/C40H50N8O6/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52)/t31-,32-,33-,34-/m0/s1
|
|
| inchikey |
FKRSSPOQAMALKA-CUPIEXAXSA-N
|
|
| label |
daclatasvir
|
|
| mass |
738.87500
|
|
| monoisotopicmass |
738.38533
|
|
| notation |
CHEBI:82977
|
|
| preferred label |
daclatasvir
|
|
| prefLabel |
daclatasvir
|
|
| see also | ||
| smiles |
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C
|
|
| textual definition |
A member of the class of biphenyls that is a potent inhibitor of nonstructural protein 5A and is used (as its hydrochloride salt) for treatment of hepatitis C.
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|
| subClassOf |
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