Bioactive Compound Details
| BioID | bio2810 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL520764 |
| Molecular Formula | C29H42N2O3 |
| Molecular Weight | 466.67 |
| Molecular Weight (Monoisotopic) | 466.3195 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | 9-O-Palmitylisoaaptamine |
| Smiles | CCCCCCCCCCCCCCCC(=O)Oc1c(OC)cc2ccnc3c2c1N(C)C=C3 |
| Inchi | InChI=1S/C29H42N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)34-29-25(33-3)22-23-18-20-30-24-19-21-31(2)28(29)27(23)24/h18-22H,4-17H2,1-3H3 |
| Inchi Key | VMXRQWBZDXMLMY-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 0.29 |
| Records Key | ['13'] |
| Records Name | ['9-O-palmitylisoaaptamine'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
