Molecule Details
| InChIKey | VPRYXFZYUOZSQO-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-[[(1-Butylpiperidin-4-yl)-methylamino]methyl]-4-chlorobenzonitrile |
| Canonical SMILES | CCCCN1CCC(N(C)Cc2cc(Cl)ccc2C#N)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.34 |
| 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 | 6.5 | IC50 | ChEMBL;BindingDB |
| P29475 | NOS1 | Homo sapiens | Human | PF00667 PF00258 PF00175 PF02898 PF00595 | 6.4 | IC50 | ChEMBL;BindingDB |
| P29474 | NOS3 | Homo sapiens | Human | PF00667 PF00258 PF00175 PF02898 | 6.2 | IC50 | ChEMBL;BindingDB |