Bioactive Compound Details
| BioID | bio2440 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL524821 |
| Molecular Formula | C17H25Br2ClO2 |
| Molecular Weight | 456.65 |
| Molecular Weight (Monoisotopic) | 453.991 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-Acetyllisoobtusol |
| Smiles | C=C1C[C@H](OC(C)=O)[C@H](Br)C(C)(C)[C@@]12CC[C@](C)(Br)[C@@H](Cl)C2 |
| Inchi | InChI=1S/C17H25Br2ClO2/c1-10-8-12(22-11(2)21)14(18)15(3,4)17(10)7-6-16(5,19)13(20)9-17/h12-14H,1,6-9H2,2-5H3/t12-,13-,14-,16-,17+/m0/s1 |
| Inchi Key | LCTBUAFKAFMZQT-CUINURIISA-N |
| Molecular Species | NEUTRAL |
| Targets | 8.0 |
| Bioactivities | 8.0 |
| Np Likeness Score | 2.98 |
| Records Key | ['16'] |
| Records Name | ['9-acetyllisoobtusol'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
