Bioactive Compound Details
| BioID | bio2428 |
|---|---|
| Name | MIRISETRON MALEATE |
| ChEMBL ID | CHEMBL2106837 |
| Molecular Formula | C28H35N3O6 |
| Molecular Weight | 509.6 |
| Molecular Weight (Monoisotopic) | 393.2416 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | MIRISETRON MALEATE|WAY-SEC-579 |
| Smiles | CN1C2CCC1CC(NC(=O)c1cn(C3CCCCC3)c3ccccc3c1=O)C2.O=C(O)/C=C\C(=O)O |
| Inchi | InChI=1S/C24H31N3O2.C4H4O4/c1-26-18-11-12-19(26)14-16(13-18)25-24(29)21-15-27(17-7-3-2-4-8-17)22-10-6-5-9-20(22)23(21)28;5-3(6)1-2-4(7)8/h5-6,9-10,15-19H,2-4,7-8,11-14H2,1H3,(H,25,29);1-2H,(H,5,6)(H,7,8)/b;2-1- |
| Inchi Key | OQIHDZMOAKTHKW-BTJKTKAUSA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.53 |
| Records Key | ['MIRISETRON MALEATE'] |
| Records Name | ['MIRISETRON MALEATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
