Molecule Details
| InChIKey | JAZOCUNZCUBRJX-DEOSSOPVSA-N |
|---|---|
| Compound Name | (5s)-3-(5,6-Dihydro-2h-Pyran-3-Yl)-1-Fluoro-7-(2-Fluoropyridin-3-Yl)spiro[chromeno[2,3-C]pyridine-5,4'-[1,3]oxazol]-2'-Amine |
| Canonical SMILES | NC1=N[C@@]2(CO1)c1cc(-c3cccnc3F)ccc1Oc1c2cc(C2=CCCOC2)nc1F |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.71 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P56817 | BACE1 | Homo sapiens | Human | PF00026 | 8.5 | IC50 | ChEMBL;BindingDB |
| Q9Y5Z0 | BACE2 | Homo sapiens | Human | PF00026 | 8.2 | IC50 | ChEMBL;BindingDB |
| P14091 | CTSE | Homo sapiens | Human | PF07966 PF00026 | 7.1 | IC50 | ChEMBL;BindingDB |
| P07339 | CTSD | Homo sapiens | Human | PF07966 PF00026 | 7.0 | IC50 | ChEMBL;BindingDB |