loading...| Preferred Name |
velpatasvir |
|
| Synonyms |
methyl {(2S)-1-[(2S,5S)-2-(9-{2-[(2S,4S)-1-{(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazol-4-yl}-1,11-dihydro[2]benzopyrano[4',3':6,7]naphtho[1,2-d]imidazol-2-yl)-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate GS5816 GS-5816 GS 5816 velpatasvir |
|
| Definitions |
A complex organic heteropentacyclic compound that is a hepatitis C virus nonstructural protein 5A inhibitor used in combination with sofosbuvir (under the brand name Epclusa) for treatment of patients with chronic hepatitis C of all six major genotypes. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_133009 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:27135095 Reaxys:23709173 CAS:1377049-84-7 PMID:27177605 PMID:27015627 PMID:27444413 PMID:27486034 PMID:27240903 PMID:26575258 PMID:26956698 PMID:27119243 PMID:26551051 PMID:27135094 Wikipedia:Velpatasvir PMID:26569658 PMID:27508349 Drug_Central:5154 PMID:26519191 PMID:27353271 PMID:26551263 PMID:27429714 PMID:27119242 PMID:26571066 PMID:26183611 PMID:27486033 |
|
| definition |
A complex organic heteropentacyclic compound that is a hepatitis C virus nonstructural protein 5A inhibitor used in combination with sofosbuvir (under the brand name Epclusa) for treatment of patients with chronic hepatitis C of all six major genotypes. |
|
| formula |
C49H54N8O8 |
|
| has role | ||
| has_exact_synonym |
methyl {(2S)-1-[(2S,5S)-2-(9-{2-[(2S,4S)-1-{(2R)-2-[(methoxycarbonyl)amino]-2-phenylacetyl}-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazol-4-yl}-1,11-dihydro[2]benzopyrano[4',3':6,7]naphtho[1,2-d]imidazol-2-yl)-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
GS5816 GS-5816 GS 5816 velpatasvir |
|
| id |
CHEBI:133009 |
|
| in_subset | ||
| inchi |
InChI=1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)47(59)57-27(3)12-17-38(57)45-51-36-16-14-30-20-35-33-15-13-31(19-32(33)25-65-40(35)21-34(30)43(36)53-45)37-22-50-44(52-37)39-18-28(24-62-4)23-56(39)46(58)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-11,13-16,19-22,26-28,38-39,41-42H,12,17-18,23-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42+/m0/s1 |
|
| inchikey |
FHCUMDQMBHQXKK-CDIODLITSA-N |
|
| label |
velpatasvir |
|
| mass |
883.004 |
|
| monoisotopicmass |
882.40646 |
|
| notation |
CHEBI:133009 |
|
| prefLabel |
velpatasvir |
|
| smiles |
C(N1[C@@H](C)CC[C@H]1C2=NC=3C=CC=4C=C5C6=CC=C(C7=CN=C([C@@H]8C[C@H](COC)CN8C(=O)[C@@H](C=9C=CC=CC9)NC(=O)OC)N7)C=C6COC5=CC4C3N2)(=O)[C@H](C(C)C)NC(=O)OC |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_46766 http://purl.obolibrary.org/obo/CHEBI_24780 http://purl.obolibrary.org/obo/CHEBI_38164 http://purl.obolibrary.org/obo/CHEBI_25698 http://purl.obolibrary.org/obo/CHEBI_23003 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_46766 http://purl.obolibrary.org/obo/CHEBI_24780 http://purl.obolibrary.org/obo/CHEBI_38164 http://purl.obolibrary.org/obo/CHEBI_25698 http://purl.obolibrary.org/obo/CHEBI_23003 |