| BioID | bio3297 |
|---|
| Name | PRELADENANT |
|---|
| ChEMBL ID | CHEMBL240624 |
|---|
| Molecular Formula | C25H29N9O3 |
|---|
| Molecular Weight | 503.57 |
|---|
| Molecular Weight (Monoisotopic) | 503.2393 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | MK-3814|PRELADENANT|Preladenant|SCH 420814|SCH-420814 |
|---|
| Smiles | COCCOc1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1 |
|---|
| Inchi | InChI=1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29) |
|---|
| Inchi Key | DTYWJKSSUANMHD-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 22.0 |
|---|
| Bioactivities | 103.0 |
|---|
| Np Likeness Score | -2.09 |
|---|
| Records Key | ['3, SCH-420814', '12a, SCH-420814', '1a', '2, SCH-420814', '2', 'Preladenant', 'SCH-420814', 'SCH-420814, Preladenant', 'Preladenant', 'PRELADENANT', 'Preladenant', '27, SCH412348', '28, SCH 420814', '2, SCH-420814', '4', 'Preladenant', 'PRELADENANT', '1', 'PRELADENANT', 'Preladenant', '26', 'Preladenant', 'Preladenant', 'Preladenant', 'SCH 4208'] |
|---|
| Records Name | ['Preladenant', '2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-yl}-ethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine', '7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine', '2-furan-2-yl-7-(2-{4-[4-(2-methoxy-ethoxy)-phenyl]-piperazin-1-yl}-ethyl)-2,7-dihydro-3H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine', 'preladenant', 'Preladenant', 'Preladenant', '2-(Furan-2-yl)-7-[2-[4-[4-(2-methoxyethoxy)phenyl]-piperazin-1-yl]ethyl]-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine', 'Preladenant', 'PRELADENANT', 'Preladenant', '7-(2-(4-(2,4-difluorophenyl)piperazin-1-yl)ethyl)-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine', 'preladenant', 'Preladenant', 'Preladenant', 'Preladenant', 'PRELADENANT', 'Preladenant', 'PRELADENANT', 'Preladenant', 'Preladenant', 'Preladenant', 'Preladenant', 'Preladenant', 'Preladenant'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
