Molecule Details
| InChIKey | BKXZRLFPGYWHTM-LJAQVGFWSA-N |
|---|---|
| Compound Name | (S)-N-(3-(4-(3-aminopropylamino)butylamino)propyl)-3-cyclohexyl-2-(2-(naphthalen-1-yl)acetamido)propanamide |
| Canonical SMILES | NCCCNCCCCNCCCNC(=O)[C@H](CC1CCCCC1)NC(=O)Cc1cccc2ccccc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.19 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P30926 | CHRNB4 | Homo sapiens | Human | PF02931 PF02932 | 9.8 | IC50 | ChEMBL |
| P32297 | CHRNA3 | Homo sapiens | Human | PF02931 PF02932 | 9.8 | IC50 | ChEMBL;BindingDB |
| P17787 | CHRNB2 | Homo sapiens | Human | PF02931 PF02932 | 7.8 | IC50 | ChEMBL |
| P43681 | CHRNA4 | Homo sapiens | Human | PF02931 PF02932 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q13255 | GRM1 | Homo sapiens | Human | PF00003 PF01094 PF10606 PF07562 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q05586 | GRIN1 | Homo sapiens | Human | PF01094 PF00060 PF10613 | 7.3 | IC50 | ChEMBL |
| Q12879 | GRIN2A | Homo sapiens | Human | PF01094 PF00060 PF10613 PF10565 | 7.3 | IC50 | ChEMBL;BindingDB |