Molecule Details
| InChIKey | SIIJWJNEODXHNY-QWHCGFSZSA-N |
|---|---|
| Compound Name | cis-4-(2,3-Dimethylphenoxy)-6-oxa-1-aza-bicyclo[3.2.1]octan-7-one |
| Canonical SMILES | Cc1cccc(O[C@H]2CCN3C[C@H]2OC3=O)c1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.52 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 9.0 | IC50 | ChEMBL;BindingDB |
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 7.8 | IC50 | ChEMBL;BindingDB |
| P53634 | CTSC | Homo sapiens | Human | PF08773 PF00112 | 7.7 | IC50 | ChEMBL;BindingDB |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 7.7 | IC50 | ChEMBL;BindingDB |
| P43235 | CTSK | Homo sapiens | Human | PF08246 PF00112 | 7.1 | IC50 | ChEMBL;BindingDB |
| O60911 | CTSV | Homo sapiens | Human | PF08246 PF00112 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q9UBX1 | CTSF | Homo sapiens | Human | PF08246 PF00112 | 6.5 | IC50 | ChEMBL;BindingDB |