Bioactive Compound Details
| BioID | bio2543 |
|---|---|
| Name | AVITRIPTAN FUMARATE |
| ChEMBL ID | CHEMBL2105880 |
| Molecular Formula | C26H34N6O7S |
| Molecular Weight | 574.66 |
| Molecular Weight (Monoisotopic) | 458.21 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | AVITRIPTAN FUMARATE|BMS-180048|BMS-180048-02|BMS-18004802 |
| Smiles | CNS(=O)(=O)Cc1ccc2[nH]cc(CCCN3CCN(c4ncncc4OC)CC3)c2c1.O=C(O)/C=C/C(=O)O |
| Inchi | InChI=1S/C22H30N6O3S.C4H4O4/c1-23-32(29,30)15-17-5-6-20-19(12-17)18(13-25-20)4-3-7-27-8-10-28(11-9-27)22-21(31-2)14-24-16-26-22;5-3(6)1-2-4(7)8/h5-6,12-14,16,23,25H,3-4,7-11,15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ |
| Inchi Key | FMXXORRZIQGUIN-WLHGVMLRSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.37 |
| Records Key | ['AVITRIPTAN FUMARATE'] |
| Records Name | ['AVITRIPTAN FUMARATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
