Molecule Details
| InChIKey | JFSIFNLPOZYJPS-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-(2-aminophenyl)-6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide |
| Canonical SMILES | Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3cccc(c23)C1=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.51 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q9Y618 | NCOR2 | Homo sapiens | Human | PF15784 PF00249 | 6.7 | IC50 | ChEMBL |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 6.1 | IC50 | ChEMBL;BindingDB |
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | Clinical | TTD_MultiTarget | TTD_MultiTarget |