Bioactive Compound Details
| BioID | bio2177 |
|---|---|
| Name | MERIGOLIX |
| ChEMBL ID | CHEMBL5314469 |
| Molecular Formula | C36H35F7N4O6 |
| Molecular Weight | 752.68 |
| Molecular Weight (Monoisotopic) | 752.2445 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | MERIGOLIX |
| Smiles | O=C(O)CCCN[C@@H](Cn1c(=O)c2c(n(Cc3c(F)cccc3C(F)(F)F)c1=O)COC21CCN(Cc2ccc(C(F)(F)F)o2)CC1)c1ccccc1 |
| Inchi | InChI=1S/C36H35F7N4O6/c37-26-9-4-8-25(35(38,39)40)24(26)19-46-28-21-52-34(13-16-45(17-14-34)18-23-11-12-29(53-23)36(41,42)43)31(28)32(50)47(33(46)51)20-27(22-6-2-1-3-7-22)44-15-5-10-30(48)49/h1-4,6-9,11-12,27,44H,5,10,13-21H2,(H,48,49)/t27-/m0/s1 |
| Inchi Key | LJPSGSMPGVITHK-MHZLTWQESA-N |
| Molecular Species | ZWITTERION |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.78 |
| Records Key | ['MERIGOLIX'] |
| Records Name | ['MERIGOLIX'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
