Bioactive Compound Details
| BioID | bio2553 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL492773 |
| Molecular Formula | C17H25NO4 |
| Molecular Weight | 307.39 |
| Molecular Weight (Monoisotopic) | 307.1784 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-Methylstreptimidone |
| Smiles | C/C=C\C(C)=C\[C@@H](C)C(=O)C[C@H](O)CC1CC(=O)NC(=O)C1 |
| Inchi | InChI=1S/C17H25NO4/c1-4-5-11(2)6-12(3)15(20)10-14(19)7-13-8-16(21)18-17(22)9-13/h4-6,12-14,19H,7-10H2,1-3H3,(H,18,21,22)/b5-4-,11-6+/t12-,14-/m1/s1 |
| Inchi Key | ATUBIBZJAGAIBW-SHVZIOHKSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 1.59 |
| Records Key | ['1'] |
| Records Name | ['9-methylstreptimidone'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
