loading...| Preferred Name |
elbasvir |
|
| Synonyms |
methyl {(2S)-1-[(2S)-2-{4-[(6S)-3-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate MK-8742 MK8742 elbasvir MK 8742 |
|
| Definitions |
A complex organic heterotetracyclic compound that is a hepatitis C virus nonstructural protein 5A inhibitor used in combination with grazoprevir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_132967 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:26303801 PMID:26943930 PMID:27440554 PMID:26818134 PMID:26849059 PMID:27403342 PMID:26926625 PMID:26938699 PMID:26927874 Reaxys:22434581 PMID:24127258 KEGG:D10625 PMID:26933896 PMID:26532861 PMID:26456905 PMID:27091555 CAS:1370468-36-2 Drug_Central:5080 Wikipedia:Elbasvir PMID:27418810 PMID:26371152 PMID:25467591 |
|
| definition |
A complex organic heterotetracyclic compound that is a hepatitis C virus nonstructural protein 5A inhibitor used in combination with grazoprevir (under the brand name Zepatier) for treatment of chronic HCV genotypes 1 or 4 infection in adults. |
|
| formula |
C49H55N9O7 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_85185 |
|
| has_exact_synonym |
methyl {(2S)-1-[(2S)-2-{4-[(6S)-3-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
MK-8742 MK8742 elbasvir MK 8742 |
|
| id |
CHEBI:132967 |
|
| in_subset | ||
| inchi |
InChI=1S/C49H55N9O7/c1-27(2)41(54-48(61)63-5)45(59)56-20-10-14-37(56)43-50-25-34(52-43)30-17-19-36-32(22-30)23-39-33-18-16-31(24-40(33)65-47(58(36)39)29-12-8-7-9-13-29)35-26-51-44(53-35)38-15-11-21-57(38)46(60)42(28(3)4)55-49(62)64-6/h7-9,12-13,16-19,22-28,37-38,41-42,47H,10-11,14-15,20-21H2,1-6H3,(H,50,52)(H,51,53)(H,54,61)(H,55,62)/t37-,38-,41-,42-,47-/m0/s1 |
|
| inchikey |
BVAZQCUMNICBAQ-PZHYSIFUSA-N |
|
| label |
elbasvir |
|
| mass |
882.019 |
|
| monoisotopicmass |
881.42245 |
|
| notation |
CHEBI:132967 |
|
| prefLabel |
elbasvir |
|
| smiles |
C=1C(C2=CN=C(N2)[C@]3(N(CCC3)C([C@H](C(C)C)NC(=O)OC)=O)[H])=CC4=C(C1)N5C(=C4)C=6C=CC(=CC6O[C@H]5C=7C=CC=CC7)C=8NC(=NC8)[C@@]9(CCCN9C(=O)[C@@H](NC(=O)OC)C(C)C)[H] |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_46766 http://purl.obolibrary.org/obo/CHEBI_24780 http://purl.obolibrary.org/obo/CHEBI_23003 http://purl.obolibrary.org/obo/CHEBI_84129 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_46766 http://purl.obolibrary.org/obo/CHEBI_24780 http://purl.obolibrary.org/obo/CHEBI_23003 http://purl.obolibrary.org/obo/CHEBI_84129 |