| BioID | bio2634 |
|---|
| Name | RALANITEN ACETATE |
|---|
| ChEMBL ID | CHEMBL4297675 |
|---|
| Molecular Formula | C27H33ClO8 |
|---|
| Molecular Weight | 521.01 |
|---|
| Molecular Weight (Monoisotopic) | 520.1864 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 1 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | EPI-506|RALANITEN ACETATE |
|---|
| Smiles | CC(=O)OC[C@H](COc1ccc(C(C)(C)c2ccc(OC[C@@H](CCl)OC(C)=O)cc2)cc1)OC(C)=O |
|---|
| Inchi | InChI=1S/C27H33ClO8/c1-18(29)32-16-26(36-20(3)31)17-34-24-12-8-22(9-13-24)27(4,5)21-6-10-23(11-7-21)33-15-25(14-28)35-19(2)30/h6-13,25-26H,14-17H2,1-5H3/t25-,26-/m1/s1 |
|---|
| Inchi Key | HGHVYYKTOXUQNT-CLJLJLNGSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | 0.29 |
|---|
| Records Key | ['RALANITEN ACETATE', '113; EPI-506'] |
|---|
| Records Name | ['RALANITEN ACETATE', 'Ralaniten acetate'] |
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| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
