| BioID | bio3169 |
|---|
| Name | DAZUCORILANT |
|---|
| ChEMBL ID | CHEMBL3734774 |
|---|
| Molecular Formula | C29H22F4N4O3S |
|---|
| Molecular Weight | 582.58 |
|---|
| Molecular Weight (Monoisotopic) | 582.1349 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 1 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | CORT-113176|CORT113176|DAZUCORILANT |
|---|
| Smiles | O=C(c1ccccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2 |
|---|
| Inchi | InChI=1S/C29H22F4N4O3S/c30-22-6-8-23(9-7-22)37-26-15-21-12-14-36(41(39,40)24-10-4-20(5-11-24)29(31,32)33)18-28(21,16-19(26)17-35-37)27(38)25-3-1-2-13-34-25/h1-11,13,15,17H,12,14,16,18H2/t28-/m0/s1 |
|---|
| Inchi Key | VXOBXKQLNWYQPQ-NDEPHWFRSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 23.0 |
|---|
| Np Likeness Score | -1.32 |
|---|
| Records Key | ['1; CORT125134', '10', 'DAZUCORILANT', 'DAZUCORILANT'] |
|---|
| Records Name | ['(R)-(1-(4-fluorophenyl)-6-(4-(trifluoromethyl)phenylsulfonyl)-4,4a,5,6,7,8-hexahydro-1H-pyrazolo[3,4-g]isoquinolin-4a-yl)(pyridin-2-yl)methanone', '(R)-(1-(4-fluorophenyl)-6-(4-(trifluoromethyl)phenylsulfonyl)-4,4a,5,6,7,8-hexahydro-1H-pyrazolo[3,4-g]isoquinolin-4a-yl)(pyridin-2-yl)methanone', 'DAZUCORILANT', 'DAZUCORILANT'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
