Bioactive Compound Details
| BioID | bio3100 |
|---|---|
| Name | RESOMELAGON ACETATE |
| ChEMBL ID | CHEMBL5314945 |
| Molecular Formula | C16H18N6O4 |
| Molecular Weight | 358.36 |
| Molecular Weight (Monoisotopic) | 298.1178 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | AP-1189|AP1189|RESOMELAGON ACETATE |
| Smiles | CC(=O)O.N=C(N)N/N=C/C=C/c1cccn1-c1ccccc1[N+](=O)[O-] |
| Inchi | InChI=1S/C14H14N6O2.C2H4O2/c15-14(16)18-17-9-3-5-11-6-4-10-19(11)12-7-1-2-8-13(12)20(21)22;1-2(3)4/h1-10H,(H4,15,16,18);1H3,(H,3,4)/b5-3+,17-9+; |
| Inchi Key | FIESOFUABUPMMH-WAJHRQJSSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.47 |
| Records Key | ['RESOMELAGON ACETATE'] |
| Records Name | ['RESOMELAGON ACETATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
