Bioactive Compound Details
| BioID | bio3141 |
|---|---|
| Name | OPIGOLIX |
| ChEMBL ID | CHEMBL3989969 |
| Molecular Formula | C25H19F3N4O5S |
| Molecular Weight | 544.51 |
| Molecular Weight (Monoisotopic) | 544.1028 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | ASP-1707|ASP1707|OPIGOLIX|OPIGOLIXUM |
| Smiles | C[C@@H](O)C(=N)NS(=O)(=O)c1cc(C(=O)C(C(=O)c2cc(F)ccc2F)=C2Nc3ccccc3N2)ccc1F |
| Inchi | InChI=1S/C25H19F3N4O5S/c1-12(33)24(29)32-38(36,37)20-10-13(6-8-17(20)28)22(34)21(23(35)15-11-14(26)7-9-16(15)27)25-30-18-4-2-3-5-19(18)31-25/h2-12,30-31,33H,1H3,(H2,29,32)/t12-/m1/s1 |
| Inchi Key | CWNLBPBIFALUQD-GFCCVEGCSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.08 |
| Records Key | ['OPIGOLIX', 'OPIGOLIX'] |
| Records Name | ['OPIGOLIX', 'OPIGOLIX'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
