| BioID | bio2647 |
|---|
| Name | SETASTINE |
|---|
| ChEMBL ID | CHEMBL1742452 |
|---|
| Molecular Formula | C22H28ClNO |
|---|
| Molecular Weight | 357.93 |
|---|
| Molecular Weight (Monoisotopic) | 357.1859 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | SETASTINA|SETASTINE |
|---|
| Smiles | CC(OCCN1CCCCCC1)(c1ccccc1)c1ccc(Cl)cc1 |
|---|
| Inchi | InChI=1S/C22H28ClNO/c1-22(19-9-5-4-6-10-19,20-11-13-21(23)14-12-20)25-18-17-24-15-7-2-3-8-16-24/h4-6,9-14H,2-3,7-8,15-18H2,1H3 |
|---|
| Inchi Key | VBSPHZOBAOWFCL-UHFFFAOYSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 27.0 |
|---|
| Bioactivities | 30.0 |
|---|
| Np Likeness Score | -0.85 |
|---|
| Records Key | ['SETASTINE', 'setastine'] |
|---|
| Records Name | ['SETASTINE', 'setastine'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
