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CHEBI:755470 - pibrentasvir
| Formula | C57H65F5N10O8 |
| Net Charge | 0 |
| Average Mass | 1113.199 |
| Monoisotopic Mass | 1112.49070 |
| SMILES | COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2cc(F)c([C@H]3CC[C@H](c4cc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)nc5cc4F)N3c3cc(F)c(N4CCC(c5ccc(F)cc5)CC4)c(F)c3)cc2n1)[C@@H](C)OC |
| InChI | InChI=1S/C57H65F5N10O8/c1-29(77-3)49(67-56(75)79-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(2)78-4)68-57(76)80-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t29-,30-,45-,46-,47+,48+,49+,50+/m1/s1 |
| InChIKey | VJYSBPDEJWLKKJ-NLIMODCCSA-N |
| Roles Classification |
|---|
| Biological Role: | antiviral agent A substance that destroys or inhibits replication of viruses. |
| Applications: | antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. renoprotective agent Any compound that is able to prevent damage to the kidneys. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pibrentasvir (CHEBI:755470) has role antidepressant (CHEBI:35469) |
| pibrentasvir (CHEBI:755470) has role antiviral agent (CHEBI:22587) |
| pibrentasvir (CHEBI:755470) has role renoprotective agent (CHEBI:231911) |
| pibrentasvir (CHEBI:755470) is a piperidines (CHEBI:26151) |
| Synonyms | Source |
|---|---|
| A-1325912.0 | ChEMBL |
| ABT-530 | ChEMBL |
| Pibrentasvir | ChEMBL |
| Brand Name | Source |
|---|---|
| Pibrentasvir component of mavyret | ChEMBL |
| Citations |
|---|