Bioactive Compound Details
| BioID | bio3287 |
|---|---|
| Name | GURETOLIMOD |
| ChEMBL ID | CHEMBL5314554 |
| Molecular Formula | C24H34F3N5O4 |
| Molecular Weight | 513.56 |
| Molecular Weight (Monoisotopic) | 513.2563 |
| Type | Small molecule |
| Max Phase | Phase 1 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | DSP-0509|DSP0509|DSR-106509|GURETOLIMOD |
| Smiles | CCC[C@@H](CCO)Nc1nc(N)nc(C)c1Cc1ccc(CN(CC(=O)O)CC(F)(F)F)cc1OC |
| Inchi | InChI=1S/C24H34F3N5O4/c1-4-5-18(8-9-33)30-22-19(15(2)29-23(28)31-22)11-17-7-6-16(10-20(17)36-3)12-32(13-21(34)35)14-24(25,26)27/h6-7,10,18,33H,4-5,8-9,11-14H2,1-3H3,(H,34,35)(H3,28,29,30,31)/t18-/m0/s1 |
| Inchi Key | XWGKZKKNJOQUSG-SFHVURJKSA-N |
| Molecular Species | ZWITTERION |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.78 |
| Records Key | ['GURETOLIMOD', 'GURETOLIMOD'] |
| Records Name | ['GURETOLIMOD', 'GURETOLIMOD'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
