Bioactive Compound Details
| BioID | bio2152 |
|---|---|
| Name | AGANEPAG ETHANEDIOL |
| ChEMBL ID | CHEMBL2105713 |
| Molecular Formula | C26H35NO5S |
| Molecular Weight | 473.64 |
| Molecular Weight (Monoisotopic) | 473.2236 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | AGANEPAG ETHANEDIOL|AGN-212409 |
| Smiles | CCCCC[C@H](O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)OCCO)s2)cc1 |
| Inchi | InChI=1S/C26H35NO5S/c1-2-3-4-8-23(29)19-9-11-21(12-10-19)27-20(13-16-25(27)30)6-5-7-22-14-15-24(33-22)26(31)32-18-17-28/h9-12,14-15,20,23,28-29H,2-8,13,16-18H2,1H3/t20-,23-/m0/s1 |
| Inchi Key | VTFVKRFGCDQSBY-REWPJTCUSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.25 |
| Records Key | ['AGANEPAG ETHANEDIOL'] |
| Records Name | ['AGANEPAG ETHANEDIOL'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
