Molecule Details
| InChIKey | UNYFXQCNOFHMAF-NVAUYEMTSA-N |
|---|---|
| Compound Name | DMeCF3 (13) |
| Canonical SMILES | CC1CN(CC(F)(F)F)CCC(O[C@@H]2[C@H](C)O[C@@H](O[C@@H]3[C@H](C)O[C@@H](O[C@H]4CC[C@@]5(C)C(CCC6C5C[C@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)C[C@@H]3O)C[C@@H]2O)O1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.47 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P54709 | ATP1B3 | Homo sapiens | Human | PF00287 | 7.9 | Ki | ChEMBL;BindingDB |
| P14415 | ATP1B2 | Homo sapiens | Human | PF00287 | 7.7 | Ki | ChEMBL;BindingDB |
| P50993 | ATP1A2 | Homo sapiens | Human | PF13246 PF00689 PF00690 PF00122 | 7.5 | Ki | ChEMBL;BindingDB |
| P05026 | ATP1B1 | Homo sapiens | Human | PF00287 | 7.2 | Ki | ChEMBL |
| P05023 | ATP1A1 | Homo sapiens | Human | PF13246 PF00689 PF00690 PF00122 | 6.9 | Ki | ChEMBL;BindingDB |