| BioID | bio2017 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL2347445 |
|---|
| Molecular Formula | C21H34N4O3 |
|---|
| Molecular Weight | 390.53 |
|---|
| Molecular Weight (Monoisotopic) | 390.2631 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | 9-Purine Acetic Acid, 6-(Dodecyloxy)Ethyl Ester |
|---|
| Smiles | CCCCCCCCCCCCOc1ncnc2c1ncn2CC(=O)OCC |
|---|
| Inchi | InChI=1S/C21H34N4O3/c1-3-5-6-7-8-9-10-11-12-13-14-28-21-19-20(22-16-23-21)25(17-24-19)15-18(26)27-4-2/h16-17H,3-15H2,1-2H3 |
|---|
| Inchi Key | QTYQKDKWNJHDOK-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 6.0 |
|---|
| Np Likeness Score | -0.79 |
|---|
| Records Key | ['34'] |
|---|
| Records Name | ['9-Purine acetic acid, 6-(dodecyloxy)ethyl ester'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
