Bioactive Compound Details
| BioID | bio3113 |
|---|---|
| Name | AFACIFENACIN |
| ChEMBL ID | CHEMBL3545165 |
| Molecular Formula | C27H26F3N3O2 |
| Molecular Weight | 481.52 |
| Molecular Weight (Monoisotopic) | 481.1977 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | AFACIFENACIN|AFACIFENACINA|AFACIFENACINE|Afacifenacin|NS-986|SMP-986 |
| Smiles | O=C1Nc2ccccc2C(c2ccccc2)N1C1CCN(Cc2cccc(OC(F)(F)F)c2)CC1 |
| Inchi | InChI=1S/C27H26F3N3O2/c28-27(29,30)35-22-10-6-7-19(17-22)18-32-15-13-21(14-16-32)33-25(20-8-2-1-3-9-20)23-11-4-5-12-24(23)31-26(33)34/h1-12,17,21,25H,13-16,18H2,(H,31,34) |
| Inchi Key | IJUMFEAYOMCXAQ-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.99 |
| Records Key | ['AFACIFENACIN'] |
| Records Name | ['AFACIFENACIN'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
