| BioID | bio2888 |
|---|
| Name | AMELUBANT |
|---|
| ChEMBL ID | CHEMBL1742420 |
|---|
| Molecular Formula | C33H34N2O5 |
|---|
| Molecular Weight | 538.64 |
|---|
| Molecular Weight (Monoisotopic) | 538.2468 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | AMELUBANT|Amelubant|BIIL 284|BIIL 284 BS|BIIL-284|BIIL-284BS|BIIL284 BS|LS-49968 |
|---|
| Smiles | CCOC(=O)NC(=N)c1ccc(OCc2cccc(COc3ccc(C(C)(C)c4ccc(O)cc4)cc3)c2)cc1 |
|---|
| Inchi | InChI=1S/C33H34N2O5/c1-4-38-32(37)35-31(34)25-8-16-29(17-9-25)39-21-23-6-5-7-24(20-23)22-40-30-18-12-27(13-19-30)33(2,3)26-10-14-28(36)15-11-26/h5-20,36H,4,21-22H2,1-3H3,(H2,34,35,37) |
|---|
| Inchi Key | SBVYURPQULDJTI-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -0.36 |
|---|
| Records Key | ['AMELUBANT', 'AMELUBANT'] |
|---|
| Records Name | ['AMELUBANT', 'AMELUBANT'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
