Bioactive Compound Details
| BioID | bio2104 |
|---|---|
| Name | ZATOSETRON MALEATE |
| ChEMBL ID | CHEMBL2107571 |
| Molecular Formula | C23H29ClN2O6 |
| Molecular Weight | 464.95 |
| Molecular Weight (Monoisotopic) | 348.1605 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | ZATOSETRON MALEATE |
| Smiles | CN1[C@@H]2CC[C@H]1C[C@@H](NC(=O)c1cc(Cl)cc3c1OC(C)(C)C3)C2.O=C(O)/C=C\C(=O)O |
| Inchi | InChI=1S/C19H25ClN2O2.C4H4O4/c1-19(2)10-11-6-12(20)7-16(17(11)24-19)18(23)21-13-8-14-4-5-15(9-13)22(14)3;5-3(6)1-2-4(7)8/h6-7,13-15H,4-5,8-10H2,1-3H3,(H,21,23);1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-,14+,15-; |
| Inchi Key | HAFQATMFFHYNPN-QRPZPOMXSA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.38 |
| Records Key | ['ZATOSETRON MALEATE'] |
| Records Name | ['ZATOSETRON MALEATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
