Molecule Details
| InChIKey | YSSBTWFASLVAGY-NRFANRHFSA-N |
|---|---|
| Compound Name | (S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)propylamino)-3-cyclohexyl-1-oxopropan-2-yl)cyclopropanecarboxamide |
| Canonical SMILES | NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)C1CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.81 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P32297 | CHRNA3 | Homo sapiens | Human | PF02931 PF02932 | 8.6 | IC50 | ChEMBL;BindingDB |
| P30926 | CHRNB4 | Homo sapiens | Human | PF02931 PF02932 | 8.6 | IC50 | ChEMBL |
| Q13255 | GRM1 | Homo sapiens | Human | PF00003 PF01094 PF10606 PF07562 | 8.0 | IC50 | ChEMBL;BindingDB |
| P17787 | CHRNB2 | Homo sapiens | Human | PF02931 PF02932 | 7.0 | IC50 | ChEMBL |
| P43681 | CHRNA4 | Homo sapiens | Human | PF02931 PF02932 | 7.0 | IC50 | ChEMBL;BindingDB |