Molecule Details
| InChIKey | DJIOCMRPQBSLOC-HDJSIYSDSA-N |
|---|---|
| Canonical SMILES | O[C@H]1CC[C@H](Nc2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3n2)CC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.64 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.6 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | Clinical | TTD_MultiTarget | TTD_MultiTarget |