| BioID | bio2448 |
|---|
| Name | TELMAPITANT |
|---|
| ChEMBL ID | CHEMBL3939059 |
|---|
| Molecular Formula | C24H23F6N3O3 |
|---|
| Molecular Weight | 515.45 |
|---|
| Molecular Weight (Monoisotopic) | 515.1644 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | TELMAPITANT |
|---|
| Smiles | C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CN1)NC(=O)NC2=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
|---|
| Inchi | InChI=1S/C24H23F6N3O3/c1-14(15-9-17(23(25,26)27)11-18(10-15)24(28,29)30)36-13-22(16-5-3-2-4-6-16)8-7-21(12-31-22)19(34)32-20(35)33-21/h2-6,9-11,14,31H,7-8,12-13H2,1H3,(H2,32,33,34,35)/t14-,21-,22-/m1/s1 |
|---|
| Inchi Key | NWZTURJOOOFKAS-KHIBUBOWSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | -0.3 |
|---|
| Records Key | ['TELMAPITANT', 'Example 43b'] |
|---|
| Records Name | ['TELMAPITANT', '(5R,8S)-8-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-1,3,7-triazaspiro[4.5]decane-2,4-dione'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
