| BioID | bio2130 |
|---|
| Name | TICOLUBANT |
|---|
| ChEMBL ID | CHEMBL90214 |
|---|
| Molecular Formula | C23H19Cl2NO3S |
|---|
| Molecular Weight | 460.38 |
|---|
| Molecular Weight (Monoisotopic) | 459.0463 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | SB-209247|TICOLUBANT|Ticolubant |
|---|
| Smiles | O=C(O)/C=C/c1nc(CSc2c(Cl)cccc2Cl)ccc1OCCc1ccccc1 |
|---|
| Inchi | InChI=1S/C23H19Cl2NO3S/c24-18-7-4-8-19(25)23(18)30-15-17-9-11-21(20(26-17)10-12-22(27)28)29-14-13-16-5-2-1-3-6-16/h1-12H,13-15H2,(H,27,28)/b12-10+ |
|---|
| Inchi Key | ZJLFOOWTDISDIO-ZRDIBKRKSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 17.0 |
|---|
| Np Likeness Score | -0.53 |
|---|
| Records Key | ['54, SB-209247', '3', 'TICOLUBANT'] |
|---|
| Records Name | ['(E)-3-[6-(2,6-Dichloro-phenylsulfanylmethyl)-3-phenethyloxy-pyridin-2-yl]-acrylic acid', '(E)-3-[6-(2,6-Dichloro-phenylsulfanylmethyl)-3-phenethyloxy-pyridin-2-yl]-acrylic acid', 'TICOLUBANT'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
