| BioID | bio2748 |
|---|
| Name | SURINABANT |
|---|
| ChEMBL ID | CHEMBL189676 |
|---|
| Molecular Formula | C23H23BrCl2N4O |
|---|
| Molecular Weight | 522.27 |
|---|
| Molecular Weight (Monoisotopic) | 520.0432 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | SR-147778|SR147778|SURINABANT|Surinabant |
|---|
| Smiles | CCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Br)cc1 |
|---|
| Inchi | InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31) |
|---|
| Inchi Key | HMXDWDSNPRNUKI-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 2.0 |
|---|
| Np Likeness Score | -1.39 |
|---|
| Records Key | ['SURINABANT', 'SR-147778', 'SURINABANT', 'SID144210559'] |
|---|
| Records Name | ['SURINABANT', '5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl-1H-pyrazole-3-carboxylic acid piperidin-1-ylamide', 'SURINABANT', 'SID144210559'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
