Molecule Details
| InChIKey | VYJRBHHHDMICNS-NRFANRHFSA-N |
|---|---|
| Compound Name | N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-oxo-3-phenylpropan-2-yl]butanamide |
| Canonical SMILES | CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCNCCCCNCCCN |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.29 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P30926 | CHRNB4 | Homo sapiens | Human | PF02931 PF02932 | 9.0 | IC50 | ChEMBL |
| P32297 | CHRNA3 | Homo sapiens | Human | PF02931 PF02932 | 9.0 | IC50 | ChEMBL;BindingDB |
| P17787 | CHRNB2 | Homo sapiens | Human | PF02931 PF02932 | 7.6 | IC50 | ChEMBL |
| P43681 | CHRNA4 | Homo sapiens | Human | PF02931 PF02932 | 7.6 | IC50 | ChEMBL;BindingDB |