| BioID | bio3107 |
|---|
| Name | TOREFORANT |
|---|
| ChEMBL ID | CHEMBL3301609 |
|---|
| Molecular Formula | C23H32N6 |
|---|
| Molecular Weight | 392.55 |
|---|
| Molecular Weight (Monoisotopic) | 392.2688 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | JNJ-38518168|TOREFORANT|Toreforant |
|---|
| Smiles | Cc1cc(C)c2nc(-c3cnc(NCCCC4CCN(C)CC4)nc3C)[nH]c2c1 |
|---|
| Inchi | InChI=1S/C23H32N6/c1-15-12-16(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/h12-14,18H,5-11H2,1-4H3,(H,27,28)(H,24,25,26) |
|---|
| Inchi Key | FCRFVPZAXGJLPW-UHFFFAOYSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 8.0 |
|---|
| Np Likeness Score | -1.08 |
|---|
| Records Key | ['TOREFORANT', 'TOREFORANT', 'Example 2', 'COVC-1746967931', '32'] |
|---|
| Records Name | ['TOREFORANT', 'TOREFORANT', '[5-(4,6-Dimethyl-1H-benzoimidazol-2-yl)-4-methyl-pyrimidin-2-yl]-[3-(1-methyl-piperidin-4-yl)-propyl]-amine', 'TOREFORANT', '5-(4,6-dimethyl-1H-benzo[d]imidazol-2-yl)-4-methyl-N-(3-(1-methylpiperidin-4-yl)propyl)pyrimidin-2-amine'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
