Bioactive Compound Details
| BioID | bio3438 |
|---|---|
| Name | DANOPREVIR SODIUM |
| ChEMBL ID | CHEMBL2146090 |
| Molecular Formula | C35H45FN5NaO9S |
| Molecular Weight | 753.83 |
| Molecular Weight (Monoisotopic) | 731.3 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar18 |
| Target Name | Serine/threonine-protein kinase cot (COT) |
| Synonyms | DANOPREVIR SODIUM|ITMN-191|R-7227|R7227|RO5190591-001 |
| Smiles | CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)[N-]S(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O.[Na+] |
| Inchi | InChI=1S/C35H46FN5O9S.Na/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40;/h7,9-12,22-24,27-28H,4-6,8,13-20H2,1-3H3,(H3,37,38,39,42,44,45);/q;+1/p-1/b11-7-;/t22-,23-,27+,28+,35-;/m1./s1 |
| Inchi Key | GXYYUDQAGCVAGJ-HHGSPMIASA-M |
| Molecular Species | ACID |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.24 |
| Records Key | ['DANOPREVIR SODIUM'] |
| Records Name | ['DANOPREVIR SODIUM'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
