Molecule Details
| InChIKey | AGMDTTZXAPEAGG-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-Chloro-2-[[piperidin-4-yl(propan-2-yl)amino]methyl]benzonitrile |
| Canonical SMILES | CC(C)N(Cc1cc(Cl)ccc1C#N)C1CCNCC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.64 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35228 | NOS2 | Homo sapiens | Human | PF00667 PF00258 PF00175 PF02898 | 7.0 | IC50 | ChEMBL;BindingDB |
| P29475 | NOS1 | Homo sapiens | Human | PF00667 PF00258 PF00175 PF02898 PF00595 | 6.7 | IC50 | ChEMBL;BindingDB |
| P29474 | NOS3 | Homo sapiens | Human | PF00667 PF00258 PF00175 PF02898 | 6.2 | IC50 | ChEMBL;BindingDB |