| BioID | bio3112 |
|---|
| Name | RELACORILANT |
|---|
| ChEMBL ID | CHEMBL4068611 |
|---|
| Molecular Formula | C27H22F4N6O3S |
|---|
| Molecular Weight | 586.57 |
|---|
| Molecular Weight (Monoisotopic) | 586.141 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 3 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | CORT 125134|CORT-125134|CORT125134|RELACORILANT |
|---|
| Smiles | Cn1cc(S(=O)(=O)N2CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@]3(C(=O)c3cc(C(F)(F)F)ccn3)C2)cn1 |
|---|
| Inchi | InChI=1S/C27H22F4N6O3S/c1-35-15-22(14-33-35)41(39,40)36-9-7-18-11-24-17(13-34-37(24)21-4-2-20(28)3-5-21)12-26(18,16-36)25(38)23-10-19(6-8-32-23)27(29,30)31/h2-6,8,10-11,13-15H,7,9,12,16H2,1H3/t26-/m0/s1 |
|---|
| Inchi Key | WANIDIGFXJFFEL-SANMLTNESA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 20.0 |
|---|
| Bioactivities | 55.0 |
|---|
| Np Likeness Score | -1.43 |
|---|
| Records Key | ['7', 'RELACORILANT', 'RELACORILANT'] |
|---|
| Records Name | ['(R)-(1-(4-fluorophenyl)-6-(1-methyl-1H-pyrazol-4-ylsulfonyl)-4,4a,5,6,7,8-hexahydro-1H-pyrazolo[3,4-g]isoquinolin-4a-yl)(4-(trifluoromethyl)pyridin-2-yl)methanone', 'RELACORILANT', 'RELACORILANT'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
