Molecule Details
| InChIKey | NSXUBFCOCMDGJL-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-Ethyl-6-(4-methoxy-butyl)-4-(4-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-amide 5-{[3-(4,4-diphenyl-piperidin-1-yl)-propyl]-amide} |
| Canonical SMILES | CCC1=NC(CCCCOC)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C1C(N)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.86 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 8.3 | Ki | BindingDB |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 7.0 | Ki | BindingDB |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 6.6 | Ki | BindingDB |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 6.5 | Ki | BindingDB |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 6.5 | Ki | BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 6.3 | Ki | BindingDB |