Bioactive Compound Details
| BioID | bio3046 |
|---|---|
| Name | SUNOBINOP TOSYLATE |
| ChEMBL ID | CHEMBL5095409 |
| Molecular Formula | C33H41N3O6S |
| Molecular Weight | 607.77 |
| Molecular Weight (Monoisotopic) | 435.2522 |
| Type | Small molecule |
| Max Phase | Phase 1 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | IMB-115 tosylate|SUNOBINOP TOSYLATE |
| Smiles | Cc1ccc(S(=O)(=O)O)cc1.O=C(O)c1nc2ccccc2n([C@@H]2C[C@H]3CCC[C@@H](C2)N3C2C[C@H]3CCC[C@@H](C2)C3)c1=O |
| Inchi | InChI=1S/C26H33N3O3.C7H8O3S/c30-25-24(26(31)32)27-22-9-1-2-10-23(22)29(25)21-14-18-7-4-8-19(15-21)28(18)20-12-16-5-3-6-17(11-16)13-20;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,9-10,16-21H,3-8,11-15H2,(H,31,32);2-5H,1H3,(H,8,9,10)/t16-,17+,18-,19+,20?,21-; |
| Inchi Key | QTWQOPPJJJSONG-JJGQJDBJSA-N |
| Molecular Species | ZWITTERION |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.23 |
| Records Key | ['SUNOBINOP TOSYLATE'] |
| Records Name | ['SUNOBINOP TOSYLATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
