| BioID | bio2690 |
|---|
| Name | EZLOPITANT |
|---|
| ChEMBL ID | CHEMBL515966 |
|---|
| Molecular Formula | C31H38N2O |
|---|
| Molecular Weight | 454.66 |
|---|
| Molecular Weight (Monoisotopic) | 454.2984 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | CJ-11, 974|CJ-11,974|CJ-11974|EZLOPITANT|Ezlopitant |
|---|
| Smiles | COc1ccc(C(C)C)cc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |
|---|
| Inchi | InChI=1S/C31H38N2O/c1-22(2)26-14-15-28(34-3)27(20-26)21-32-30-25-16-18-33(19-17-25)31(30)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-15,20,22,25,29-32H,16-19,21H2,1-3H3/t30-,31-/m0/s1 |
|---|
| Inchi Key | XPNMCDYOYIKVGB-CONSDPRKSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 8.0 |
|---|
| Np Likeness Score | 0.18 |
|---|
| Records Key | ['CJ-11974', 'EZLOPITANT', 'Ezlopitant', 'EZLOPITANT'] |
|---|
| Records Name | ['((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(5-isopropyl-2-methoxy-benzyl)-amine', 'EZLOPITANT', 'Ezlopitant', 'EZLOPITANT'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
