Bioactive Compound Details
| BioID | bio2829 |
|---|---|
| Name | VILAPRISAN |
| ChEMBL ID | CHEMBL3989936 |
| Molecular Formula | C27H29F5O4S |
| Molecular Weight | 544.58 |
| Molecular Weight (Monoisotopic) | 544.1707 |
| Type | Small molecule |
| Max Phase | Phase 3 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | BAY-1002670|BAY1002670|VILAPRISAN |
| Smiles | C[C@]12C[C@H](c3ccc(S(C)(=O)=O)cc3)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C(F)(F)C(F)(F)F |
| Inchi | InChI=1S/C27H29F5O4S/c1-24-14-21(15-3-7-18(8-4-15)37(2,35)36)23-19-10-6-17(33)13-16(19)5-9-20(23)22(24)11-12-25(24,34)26(28,29)27(30,31)32/h3-4,7-8,13,20-22,34H,5-6,9-12,14H2,1-2H3/t20-,21+,22-,24-,25-/m0/s1 |
| Inchi Key | JUFWQQVHQFDUOD-ANRPBIDPSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 0.8 |
| Records Key | ['VILAPRISAN', 'VILAPRISAN'] |
| Records Name | ['VILAPRISAN', 'VILAPRISAN'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
