Bioactive Compound Details
| BioID | bio2313 |
|---|---|
| Name | ISALMADOL |
| ChEMBL ID | CHEMBL3989687 |
| Molecular Formula | C22H27NO4 |
| Molecular Weight | 369.46 |
| Molecular Weight (Monoisotopic) | 369.194 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | ISALMADOL |
| Smiles | CN(C)CC1CCCCC1(O)c1cccc(OC(=O)c2ccccc2O)c1 |
| Inchi | InChI=1S/C22H27NO4/c1-23(2)15-17-8-5-6-13-22(17,26)16-9-7-10-18(14-16)27-21(25)19-11-3-4-12-20(19)24/h3-4,7,9-12,14,17,24,26H,5-6,8,13,15H2,1-2H3 |
| Inchi Key | OLXCPJRIWXIFTH-UHFFFAOYSA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | 0.24 |
| Records Key | ['ISALMADOL'] |
| Records Name | ['ISALMADOL'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
