| BioID | bio2686 |
|---|
| Name | APLINDORE FUMARATE |
|---|
| ChEMBL ID | CHEMBL2104864 |
|---|
| Molecular Formula | C22H22N2O7 |
|---|
| Molecular Weight | 426.43 |
|---|
| Molecular Weight (Monoisotopic) | 310.1317 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | APLINDORE FUMARATE|DAB-452|PALINDORE|PALINDORE FUMARATE |
|---|
| Smiles | O=C(O)/C=C/C(=O)O.O=C1Cc2c(ccc3c2O[C@@H](CNCc2ccccc2)CO3)N1 |
|---|
| Inchi | InChI=1S/C18H18N2O3.C4H4O4/c21-17-8-14-15(20-17)6-7-16-18(14)23-13(11-22-16)10-19-9-12-4-2-1-3-5-12;5-3(6)1-2-4(7)8/h1-7,13,19H,8-11H2,(H,20,21);1-2H,(H,5,6)(H,7,8)/b;2-1+/t13-;/m0./s1 |
|---|
| Inchi Key | GELJVTSEGKGLDF-QDSMGTAFSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -0.24 |
|---|
| Records Key | ['APLINDORE FUMARATE', 'APLINDORE FUMARATE'] |
|---|
| Records Name | ['APLINDORE FUMARATE', 'APLINDORE FUMARATE'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
