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CHEBI:755595 - glecaprevir
| Formula | C38H46F4N6O9S |
| Net Charge | 0 |
| Average Mass | 838.878 |
| Monoisotopic Mass | 838.29831 |
| SMILES | CC(C)(C)[C@@H]1NC(=O)O[C@@H]2CCC[C@H]2OC/C=C/C(F)(F)c2nc3ccccc3nc2O[C@@H]2C[C@@H](C(=O)N[C@]3(C(=O)NS(=O)(=O)C4(C)CC4)C[C@H]3C(F)F)N(C2)C1=O |
| InChI | InChI=1S/C38H46F4N6O9S/c1-35(2,3)28-32(50)48-19-20(17-24(48)30(49)46-37(18-21(37)29(39)40)33(51)47-58(53,54)36(4)14-15-36)56-31-27(43-22-9-5-6-10-23(22)44-31)38(41,42)13-8-16-55-25-11-7-12-26(25)57-34(52)45-28/h5-6,8-10,13,20-21,24-26,28-29H,7,11-12,14-19H2,1-4H3,(H,45,52)(H,46,49)(H,47,51)/b13-8+/t20-,21+,24+,25-,26-,28-,37-/m1/s1 |
| InChIKey | MLSQGNCUYAMAHD-ITNVBOSISA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | antiviral agent A substance that destroys or inhibits replication of viruses. |
| Applications: | renoprotective agent Any compound that is able to prevent damage to the kidneys. antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| glecaprevir (CHEBI:755595) has role antidepressant (CHEBI:35469) |
| glecaprevir (CHEBI:755595) has role antiviral agent (CHEBI:22587) |
| glecaprevir (CHEBI:755595) has role renoprotective agent (CHEBI:231911) |
| glecaprevir (CHEBI:755595) is a cyclic peptide (CHEBI:23449) |
| Synonyms | Source |
|---|---|
| A-1282576 | ChEMBL |
| A-1282576.0 | ChEMBL |
| A-12825760 | ChEMBL |
| ABT-493 | ChEMBL |
| Glecaprevir | ChEMBL |
| Brand Name | Source |
|---|---|
| Glecaprevir component of mavyret | ChEMBL |
| Citations |
|---|