Molecule Details
| InChIKey | NFZNWSQRGYZNCQ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-Ethyl-4-(4-nitro-phenyl)-6-(2,2,2-trifluoro-ethoxymethyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-amide 5-{[3-(4,4-diphenyl-piperidin-1-yl)-propyl]-amide} |
| Canonical SMILES | CCC1=NC(COCC(F)(F)F)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C(c2ccc([N+](=O)[O-])cc2)C1C(N)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.64 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 7.9 | Ki | BindingDB |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 6.8 | Ki | BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 6.4 | Ki | BindingDB |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 6.1 | Ki | BindingDB |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 6.0 | Ki | BindingDB |