| BioID | bio2558 |
|---|
| Name | LOSULAZINE |
|---|
| ChEMBL ID | CHEMBL287419 |
|---|
| Molecular Formula | C27H22F4N4O3S |
|---|
| Molecular Weight | 558.56 |
|---|
| Molecular Weight (Monoisotopic) | 558.1349 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Unknown |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | LOSULAZINA|LOSULAZINE |
|---|
| Smiles | O=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 |
|---|
| Inchi | InChI=1S/C27H22F4N4O3S/c28-20-4-8-22(9-5-20)39(37,38)35-15-13-34(14-16-35)26(36)18-1-6-21(7-2-18)33-24-11-12-32-25-17-19(27(29,30)31)3-10-23(24)25/h1-12,17H,13-16H2,(H,32,33) |
|---|
| Inchi Key | SYJKIRZBDWNJSB-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 15.0 |
|---|
| Np Likeness Score | -1.88 |
|---|
| Records Key | ['3n', 'COVC-0140857695'] |
|---|
| Records Name | ['[4-(4-Fluoro-benzenesulfonyl)-piperazin-1-yl]-[4-(7-trifluoromethyl-quinolin-4-ylamino)-phenyl]-methanone', 'LOSULAZINE'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
