Bioactive Compound Details
| BioID | bio2044 |
|---|---|
| Name | AVITRIPTAN |
| ChEMBL ID | CHEMBL2110755 |
| Molecular Formula | C22H30N6O3S |
| Molecular Weight | 458.59 |
| Molecular Weight (Monoisotopic) | 458.21 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | AVITRIPTAN |
| Smiles | CNS(=O)(=O)Cc1ccc2[nH]cc(CCCN3CCN(c4ncncc4OC)CC3)c2c1 |
| Inchi | InChI=1S/C22H30N6O3S/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/h5-6,12-14,16,23,25H,3-4,7-11,15H2,1-2H3 |
| Inchi Key | WRZVGHXUPBWIOO-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.37 |
| Records Key | None |
| Records Name | None |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
