Molecule Details
| InChIKey | CHZHWZAKWGFQNL-DEOSSOPVSA-N |
|---|---|
| Compound Name | (4s)-2'-(2,2-Dimethylpropoxy)-7'-(Pyrimidin-5-Yl)spiro[1,3-Oxazole-4,9'-Xanthen]-2-Amine |
| Canonical SMILES | CC(C)(C)COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3cncnc3)ccc1O2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.29 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P56817 | BACE1 | Homo sapiens | Human | PF00026 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q9Y5Z0 | BACE2 | Homo sapiens | Human | PF00026 | 7.8 | IC50 | ChEMBL;BindingDB |
| P14091 | CTSE | Homo sapiens | Human | PF07966 PF00026 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.2 | Ki | ChEMBL;BindingDB |