| BioID | bio2420 |
|---|
| Name | BESONPRODIL |
|---|
| ChEMBL ID | CHEMBL219631 |
|---|
| Molecular Formula | C21H23FN2O3S |
|---|
| Molecular Weight | 402.49 |
|---|
| Molecular Weight (Monoisotopic) | 402.1413 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Unknown |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | BESONPRODIL|CI-1041|CO 200461|CO-200461|PD 0196860|PD-0196860 |
|---|
| Smiles | O=c1[nH]c2ccc([S+]([O-])CCN3CCC(Cc4ccc(F)cc4)CC3)cc2o1 |
|---|
| Inchi | InChI=1S/C21H23FN2O3S/c22-17-3-1-15(2-4-17)13-16-7-9-24(10-8-16)11-12-28(26)18-5-6-19-20(14-18)27-21(25)23-19/h1-6,14,16H,7-13H2,(H,23,25) |
|---|
| Inchi Key | FCBQJNCAKZSIAH-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 6.0 |
|---|
| Bioactivities | 11.0 |
|---|
| Np Likeness Score | -0.68 |
|---|
| Records Key | ['CI-1041', 'CI-1041', 'SID144210754', 'CI-1041', 'BESONPRODIL', '2, CI-1041', '5'] |
|---|
| Records Name | ['6-{2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-ethanesulfinyl}-3H-benzooxazol-2-one', '6-(2-(4-(4-fluorobenzyl)piperidin-1-yl)ethylsulfinyl)benzo[d]oxazol-2(3H)-one', 'SID144210754', '6-{2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-ethanesulfinyl}-3H-benzooxazol-2-one', 'BESONPRODIL', 'besonprodil', 'Besonprodil'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
