Bioactive Compound Details
| BioID | bio3126 |
|---|---|
| Name | TOREFORANT TARTRATE |
| ChEMBL ID | CHEMBL3301614 |
| Molecular Formula | C50H70N12O6 |
| Molecular Weight | 935.19 |
| Molecular Weight (Monoisotopic) | 392.2688 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | JNJ-38518168|JNJ-38518168 HEMITARTRATE|TOREFORANT TARTRATE |
| Smiles | Cc1cc(C)c2nc(-c3cnc(NCCCC4CCN(C)CC4)nc3C)[nH]c2c1.Cc1cc(C)c2nc(-c3cnc(NCCCC4CCN(C)CC4)nc3C)[nH]c2c1.O=C(O)C(O)C(O)C(=O)O |
| Inchi | InChI=1S/2C23H32N6.C4H6O6/c2*1-15-12-16(2)21-20(13-15)27-22(28-21)19-14-25-23(26-17(19)3)24-9-5-6-18-7-10-29(4)11-8-18;5-1(3(7)8)2(6)4(9)10/h2*12-14,18H,5-11H2,1-4H3,(H,27,28)(H,24,25,26);1-2,5-6H,(H,7,8)(H,9,10) |
| Inchi Key | FWIDBLDKHORZBP-UHFFFAOYSA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.08 |
| Records Key | ['TOREFORANT TARTRATE', 'TOREFORANT TARTRATE'] |
| Records Name | ['TOREFORANT TARTRATE', 'TOREFORANT TARTRATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
