Bioactive Compound Details
| BioID | bio2317 |
|---|---|
| Name | GALDANSETRON |
| ChEMBL ID | CHEMBL2110952 |
| Molecular Formula | C18H19N3O |
| Molecular Weight | 293.37 |
| Molecular Weight (Monoisotopic) | 293.1528 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | GALDANSETRON|GR 81225X |
| Smiles | Cc1[nH]cnc1C[C@H]1CCc2c(c3ccccc3n2C)C1=O |
| Inchi | InChI=1S/C18H19N3O/c1-11-14(20-10-19-11)9-12-7-8-16-17(18(12)22)13-5-3-4-6-15(13)21(16)2/h3-6,10,12H,7-9H2,1-2H3,(H,19,20)/t12-/m1/s1 |
| Inchi Key | ZRIRTEMBXFFOGF-GFCCVEGCSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.05 |
| Records Key | None |
| Records Name | None |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
