| BioID | bio2373 |
|---|
| Name | MOXILUBANT MALEATE |
|---|
| ChEMBL ID | CHEMBL2104429 |
|---|
| Molecular Formula | C30H41N3O8 |
|---|
| Molecular Weight | 571.67 |
|---|
| Molecular Weight (Monoisotopic) | 455.2784 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Unknown |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | CGS 25019C|CGS-25019C|MOXILUBANT MALEATE |
|---|
| Smiles | COc1cc(C(=O)N(C(C)C)C(C)C)ccc1OCCCCCOc1ccc(C(=N)N)cc1.O=C(O)/C=C\C(=O)O |
|---|
| Inchi | InChI=1S/C26H37N3O4.C4H4O4/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;5-3(6)1-2-4(7)8/h9-14,17-19H,6-8,15-16H2,1-5H3,(H3,27,28);1-2H,(H,5,6)(H,7,8)/b;2-1- |
|---|
| Inchi Key | BUMMZWFWCNQFPS-BTJKTKAUSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | -0.54 |
|---|
| Records Key | ['CGS-25019C', 'MOXILUBANT MALEATE'] |
|---|
| Records Name | ['4-[5-(4-Hydrazonomethyl-phenoxy)-pentyloxy]-N,N-diisopropyl-3-methoxy-benzamide; compound with (Z)-but-2-enedioic acid', 'MOXILUBANT MALEATE'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
