Bioactive Compound Details
| BioID | bio3396 |
|---|---|
| Name | YIMITASVIR PHOSPHATE |
| ChEMBL ID | CHEMBL5095204 |
| Molecular Formula | C49H64N8O14P2 |
| Molecular Weight | 1051.04 |
| Molecular Weight (Monoisotopic) | 854.4479 |
| Type | Small molecule |
| Max Phase | Phase 1 |
| Target ID | Tar18 |
| Target Name | Serine/threonine-protein kinase cot (COT) |
| Synonyms | YIMITASVIR PHOSPHATE |
| Smiles | COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4ccc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)c4c3[C@@H]3CC[C@H]4C3)cc2)[nH]1)C(C)C.O=P(O)(O)O.O=P(O)(O)O |
| Inchi | InChI=1S/C49H58N8O6.2H3O4P/c1-26(2)42(54-48(60)62-5)46(58)56-21-7-9-38(56)44-50-25-37(53-44)29-13-11-28(12-14-29)33-18-19-34(41-32-16-15-31(23-32)40(33)41)30-17-20-35-36(24-30)52-45(51-35)39-10-8-22-57(39)47(59)43(27(3)4)55-49(61)63-6;2*1-5(2,3)4/h11-14,17-20,24-27,31-32,38-39,42-43H,7-10,15-16,21-23H2,1-6H3,(H,50,53)(H,51,52)(H,54,60)(H,55,61);2*(H3,1,2,3,4)/t31-,32+,38+,39+,42+,43+;;/m1../s1 |
| Inchi Key | KRUXCUGAHYWSKK-RTNSEEPCSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.38 |
| Records Key | ['YIMITASVIR PHOSPHATE'] |
| Records Name | ['YIMITASVIR PHOSPHATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
