Molecule Details
| InChIKey | DTWANULJDRVTFI-NRFANRHFSA-N |
|---|---|
| Compound Name | (alphaS)-N-(3-((4-((3-Aminopropyl)amino)butyl)amino)propyl)-4-hydroxy-alpha-((1-oxobutyl)amino)benzenepropanamide |
| Canonical SMILES | CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCN |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.61 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P30926 | CHRNB4 | Homo sapiens | Human | PF02931 PF02932 | 8.1 | IC50 | ChEMBL |
| P32297 | CHRNA3 | Homo sapiens | Human | PF02931 PF02932 | 8.1 | IC50 | ChEMBL;BindingDB |
| Q13255 | GRM1 | Homo sapiens | Human | PF00003 PF01094 PF10606 PF07562 | 7.6 | IC50 | ChEMBL;BindingDB |
| P17787 | CHRNB2 | Homo sapiens | Human | PF02931 PF02932 | 7.1 | IC50 | ChEMBL |
| P43681 | CHRNA4 | Homo sapiens | Human | PF02931 PF02932 | 7.1 | IC50 | ChEMBL;BindingDB |