Bioactive Compound Details
| BioID | bio2827 |
|---|---|
| Name | VORAPAXAR SULFATE |
| ChEMBL ID | CHEMBL2107386 |
| Molecular Formula | C29H35FN2O8S |
| Molecular Weight | 590.67 |
| Molecular Weight (Monoisotopic) | 492.2424 |
| Type | Small molecule |
| Max Phase | Phase 4 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | SCH 530348|SCH-530348|VORAPAXAR SULFATE|Zontivity |
| Smiles | CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1.O=S(=O)(O)O |
| Inchi | InChI=1S/C29H33FN2O4.H2O4S/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18;1-5(2,3)4/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34);(H2,1,2,3,4)/b12-9+;/t17-,20+,23-,24-,25+,26-,27+;/m1./s1 |
| Inchi Key | NQRYCIGCIAWEIC-CKLVGUEFSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.08 |
| Records Key | ['VORAPAXAR SULFATE', 'VORAPAXAR SULFATE', 'VORAPAXAR SULFATE', 'VORAPAXAR SULFATE'] |
| Records Name | ['VORAPAXAR SULFATE', 'VORAPAXAR SULFATE', 'VORAPAXAR SULFATE', 'VORAPAXAR SULFATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
