| BioID | bio2609 |
|---|
| Name | VOFOPITANT |
|---|
| ChEMBL ID | CHEMBL522302 |
|---|
| Molecular Formula | C21H23F3N6O |
|---|
| Molecular Weight | 432.45 |
|---|
| Molecular Weight (Monoisotopic) | 432.1885 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | GR-205171|GR205171|VOFOPITANT|Vofopitant |
|---|
| Smiles | COc1ccc(-n2nnnc2C(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 |
|---|
| Inchi | InChI=1S/C21H23F3N6O/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3/t17-,19-/m0/s1 |
|---|
| Inchi Key | XILNRORTJVDYRH-HKUYNNGSSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 5.0 |
|---|
| Np Likeness Score | -1.28 |
|---|
| Records Key | ['3', 'GR-205171', 'VOFOPITANT', 'VOFOPITANT'] |
|---|
| Records Name | ['(S)-[2-Methoxy-5-(5-trifluoromethyl-tetrazol-1-yl)-benzyl]-((S)-2-phenyl-piperidin-3-yl)-amine', '(2S,3S)-N-(2-methoxy-5-(5-(trifluoromethyl)-1H-tetrazol-1-yl)benzyl)-2-phenylpiperidin-3-amine', 'VOFOPITANT', 'VOFOPITANT'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
