| BioID | bio2807 |
|---|
| Name | TOFENACIN |
|---|
| ChEMBL ID | CHEMBL2110923 |
|---|
| Molecular Formula | C17H21NO |
|---|
| Molecular Weight | 255.36 |
|---|
| Molecular Weight (Monoisotopic) | 255.1623 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Unknown |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | DEMETHYLORPHENADRINE|J8.547B|NORORPHENADRINE|TOFENACIN|TOFENACINA|TOFENACINE |
|---|
| Smiles | CNCCOC(c1ccccc1)c1ccccc1C |
|---|
| Inchi | InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)17(19-13-12-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3 |
|---|
| Inchi Key | PNYKGCPSFKLFKA-UHFFFAOYSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | -0.34 |
|---|
| Records Key | ['COVC-2288570837'] |
|---|
| Records Name | ['TOFENACIN'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
