Molecule Details
| InChIKey | AXXQTTPUMYEBOV-UHFFFAOYSA-N |
|---|---|
| Compound Name | 6-[(3-fluoro-6H-benzo[c][1,5]benzoxazepin-11-yl)sulfonyl]-4,4-dimethyl-1H-3,1-benzoxazine-2-thione |
| Canonical SMILES | CC1(C)OC(=S)Nc2ccc(S(=O)(=O)N3c4ccccc4COc4cc(F)ccc43)cc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.75 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08235 | NR3C2 | Homo sapiens | Human | PF00104 PF00105 | 8.0 | IC50 | ChEMBL |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.4 | IC50 | ChEMBL;BindingDB |
| P11712 | CYP2C9 | Homo sapiens | Human | PF00067 | 6.4 | IC50 | ChEMBL;BindingDB |
| P04150 | NR3C1 | Homo sapiens | Human | PF02155 PF00104 PF00105 | 6.2 | IC50 | ChEMBL;BindingDB |