Bioactive Compound Details
| BioID | bio3154 |
|---|---|
| Name | TELCAGEPANT POTASSIUM |
| ChEMBL ID | CHEMBL2105656 |
| Molecular Formula | C28H32F5KN6O4 |
| Molecular Weight | 650.69 |
| Molecular Weight (Monoisotopic) | 566.2065 |
| Type | Small molecule |
| Max Phase | Phase 3 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | TELCAGEPANT POTASSIUM|TELCAGEPANT POTASSIUM ETHANOL|TELCAGEPANT POTASSIUM SALT MONOETHANOLATE |
| Smiles | CCO.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c([O-])nc3ncccc32)CC1.[K+] |
| Inchi | InChI=1S/C26H27F5N6O3.C2H6O.K/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40;1-2-3;/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40);3H,2H2,1H3;/q;;+1/p-1/t15-,19-;;/m1../s1 |
| Inchi Key | DYXNKCSVHJFUSS-LEVQAPRMSA-M |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.42 |
| Records Key | ['TELCAGEPANT POTASSIUM', 'TELCAGEPANT POTASSIUM'] |
| Records Name | ['TELCAGEPANT POTASSIUM', 'TELCAGEPANT POTASSIUM'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
