Bioactive Compound Details
| BioID | bio2258 |
|---|---|
| Name | INDISETRON |
| ChEMBL ID | CHEMBL2104994 |
| Molecular Formula | C17H23N5O |
| Molecular Weight | 313.4 |
| Molecular Weight (Monoisotopic) | 313.1903 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | INDISETRON |
| Smiles | CN1C[C@H]2C[C@@H](NC(=O)c3n[nH]c4ccccc34)C[C@@H](C1)N2C |
| Inchi | InChI=1S/C17H23N5O/c1-21-9-12-7-11(8-13(10-21)22(12)2)18-17(23)16-14-5-3-4-6-15(14)19-20-16/h3-6,11-13H,7-10H2,1-2H3,(H,18,23)(H,19,20)/t11-,12-,13+ |
| Inchi Key | MHNNVDILNTUWNS-XYYAHUGASA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.12 |
| Records Key | ['INDISETRON'] |
| Records Name | ['INDISETRON'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
