Bioactive Compound Details
| BioID | bio2547 |
|---|---|
| Name | MOXILUBANT |
| ChEMBL ID | CHEMBL89326 |
| Molecular Formula | C26H37N3O4 |
| Molecular Weight | 455.6 |
| Molecular Weight (Monoisotopic) | 455.2784 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | CGS-250190|MOXILUBANT |
| Smiles | COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCCOc1ccc(C(=N)N)cc1 |
| Inchi | InChI=1S/C26H37N3O4/c1-18(2)29(19(3)4)26(30)21-11-14-23(24(17-21)31-5)33-16-8-6-7-15-32-22-12-9-20(10-13-22)25(27)28/h9-14,17-19H,6-8,15-16H2,1-5H3,(H3,27,28) |
| Inchi Key | VAYJLOGCWOXMAS-UHFFFAOYSA-N |
| Molecular Species | BASE |
| Targets | 4.0 |
| Bioactivities | 10.0 |
| Np Likeness Score | -0.54 |
| Records Key | ['56 CGS-250190'] |
| Records Name | ['4-[5-(4-Carbamimidoyl-phenoxy)-pentyloxy]-N,N-diisopropyl-3-methoxy-benzamide'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
