| BioID | bio3264 |
|---|
| Name | BOCIDELPAR |
|---|
| ChEMBL ID | CHEMBL5095171 |
|---|
| Molecular Formula | C25H27F3N2O3 |
|---|
| Molecular Weight | 460.5 |
|---|
| Molecular Weight (Monoisotopic) | 460.1974 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ASP-0367|ASP0367|BOCIDELPAR|MA-0211|MTB-1 |
|---|
| Smiles | Cc1cnc(-c2ccc(C(F)(F)F)cc2)n1Cc1ccccc1OCCC[C@@H](C)CC(=O)O |
|---|
| Inchi | InChI=1S/C25H27F3N2O3/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)25(26,27)28/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32)/t17-/m1/s1 |
|---|
| Inchi Key | FMOPHFSPINWSOV-QGZVFWFLSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -0.75 |
|---|
| Records Key | ['BOCIDELPAR', 'BOCIDELPAR', 'BOCIDELPAR'] |
|---|
| Records Name | ['BOCIDELPAR', 'BOCIDELPAR', 'BOCIDELPAR'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
