| BioID | bio2402 |
|---|
| Name | PANAMESINE |
|---|
| ChEMBL ID | CHEMBL45686 |
|---|
| Molecular Formula | C23H26N2O6 |
|---|
| Molecular Weight | 426.47 |
|---|
| Molecular Weight (Monoisotopic) | 426.1791 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | PANAMESINE|Panamesine |
|---|
| Smiles | COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc5c(c4)OCO5)CC3)OC2=O)cc1 |
|---|
| Inchi | InChI=1S/C23H26N2O6/c1-28-18-5-3-17(4-6-18)25-14-19(31-22(25)26)13-24-10-8-23(27,9-11-24)16-2-7-20-21(12-16)30-15-29-20/h2-7,12,19,27H,8-11,13-15H2,1H3/t19-/m0/s1 |
|---|
| Inchi Key | NINYZUDVKTUKIA-IBGZPJMESA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | -0.47 |
|---|
| Records Key | ['8j (table 1)', 'PANAMESINE', 'OGHL00031'] |
|---|
| Records Name | ['(S)-5-(4-Benzo[1,3]dioxol-5-yl-4-hydroxy-piperidin-1-ylmethyl)-3-(4-methoxy-phenyl)-oxazolidin-2-one', 'PANAMESINE', 'OGHL00031'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
