| BioID | bio2733 |
|---|
| Name | AXELOPRAN |
|---|
| ChEMBL ID | CHEMBL3137313 |
|---|
| Molecular Formula | C26H39N3O4 |
|---|
| Molecular Weight | 457.62 |
|---|
| Molecular Weight (Monoisotopic) | 457.2941 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | AXELOPRAN|Axelopran|TD-1211 |
|---|
| Smiles | NC(=O)c1cccc([C@H]2C[C@H]3CC[C@@H](C2)N3CCN(CC2CCCCC2)C(=O)[C@@H](O)CO)c1 |
|---|
| Inchi | InChI=1S/C26H39N3O4/c27-25(32)20-8-4-7-19(13-20)21-14-22-9-10-23(15-21)29(22)12-11-28(26(33)24(31)17-30)16-18-5-2-1-3-6-18/h4,7-8,13,18,21-24,30-31H,1-3,5-6,9-12,14-17H2,(H2,27,32)/t21-,22+,23-,24-/m0/s1 |
|---|
| Inchi Key | ATLYLVPZNWDJBW-KIHHCIJBSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 8.0 |
|---|
| Np Likeness Score | -0.43 |
|---|
| Records Key | ['AXELOPRAN', 'AXELOPRAN', 'Example 58A'] |
|---|
| Records Name | ['AXELOPRAN', 'AXELOPRAN', '3-endo-(8-{2-[cyclohexylmethyl-((S)-2,3-dihydroxy-propionyl)amino]ethyl}-8-aza-bicyclo[3.2.1]oct-3-yl)benzamide'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
