Molecule Details
| InChIKey | JNAZGEGXKHNDBG-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-(1,3-benzodioxol-5-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-oxo-1H-pyridine-3-carboxamide |
| Canonical SMILES | CN1CCN(CCc2ccc(NC(=O)c3cc(-c4ccc5c(c4)OCO5)cnc3O)cc2)CC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.4 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 6.4 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | Clinical | TTD_MultiTarget | TTD_MultiTarget |