Bioactive Compound Details
| BioID | bio3490 |
|---|---|
| Name | GRAZOPREVIR |
| ChEMBL ID | CHEMBL3039533 |
| Molecular Formula | C38H52N6O10S |
| Molecular Weight | 784.93 |
| Molecular Weight (Monoisotopic) | 766.336 |
| Type | Small molecule |
| Max Phase | Phase 3 |
| Target ID | Tar18 |
| Target Name | Serine/threonine-protein kinase cot (COT) |
| Synonyms | GRAZOPREVIR|GRAZOPREVIR HYDRATE|GRAZOPREVIR MONOHYDRATE|MK-5172 MONOHYDRATE |
| Smiles | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)C(=O)NS(=O)(=O)C1CC1.O |
| Inchi | InChI=1S/C38H50N6O9S.H2O/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27;/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47);1H2/t21-,22-,24-,29+,30-,31-,38-;/m1./s1 |
| Inchi Key | RXSARIJMSJWJLZ-CIAYNJNFSA-N |
| Molecular Species | ACID |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 0.23 |
| Records Key | ['GRAZOPREVIR'] |
| Records Name | ['GRAZOPREVIR'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
