| BioID | bio2486 |
|---|
| Name | PROFADOL |
|---|
| ChEMBL ID | CHEMBL161204 |
|---|
| Molecular Formula | C14H21NO |
|---|
| Molecular Weight | 219.33 |
|---|
| Molecular Weight (Monoisotopic) | 219.1623 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Unknown |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | DL-PROFADOL|PROFADOL |
|---|
| Smiles | CCCC1(c2cccc(O)c2)CCN(C)C1 |
|---|
| Inchi | InChI=1S/C14H21NO/c1-3-7-14(8-9-15(2)11-14)12-5-4-6-13(16)10-12/h4-6,10,16H,3,7-9,11H2,1-2H3 |
|---|
| Inchi Key | VFUGCQKESINERB-UHFFFAOYSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 4.0 |
|---|
| Np Likeness Score | 0.54 |
|---|
| Records Key | ['profadol', 'COVC-1751461992'] |
|---|
| Records Name | ['3-(1-Methyl-3-propyl-pyrrolidin-3-yl)-phenol (profadol)', 'PROFADOL'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
