Molecule Details
| InChIKey | FPWSKINOJYCEJK-BHIFYINESA-N |
|---|---|
| Compound Name | 2-[7-[(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-yl]oxy-9H-thioxanthen-4-yl]-6-morpholin-4-ylpyran-4-one |
| Canonical SMILES | C[C@H](CN1C[C@@H](C)O[C@@H](C)C1)Oc1ccc2c(c1)Cc1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.6 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q8NEB9 | PIK3C3 | Homo sapiens | Human | PF00454 PF00792 PF00613 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q13315 | ATM | Homo sapiens | Human | PF02259 PF02260 PF00454 PF11640 | 7.9 | IC50 | ChEMBL;BindingDB |
| P78527 | PRKDC | Homo sapiens | Human | PF20500 PF20502 PF08163 PF19704 PF02259 PF02260 PF00454 | 6.7 | IC50 | ChEMBL;BindingDB |