Molecule Details
| InChIKey | VBQDZZHUUPHQGQ-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-(Tert-butylamino)-1-(3,4-dichlorophenyl)pentan-1-one |
| Canonical SMILES | CCCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.14 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P32297 | CHRNA3 | Homo sapiens | Human | PF02931 PF02932 | 9.2 | IC50 | ChEMBL |
| P02708 | CHRNA1 | Homo sapiens | Human | PF02931 PF02932 | 8.8 | IC50 | ChEMBL |
| P07510 | CHRNG | Homo sapiens | Human | PF02931 PF02932 | 8.8 | IC50 | ChEMBL |
| P11230 | CHRNB1 | Homo sapiens | Human | PF02931 PF02932 | 8.8 | IC50 | ChEMBL |
| Q07001 | CHRND | Homo sapiens | Human | PF02931 PF02932 | 8.8 | IC50 | ChEMBL |
| P30926 | CHRNB4 | Homo sapiens | Human | PF02931 PF02932 | 8.8 | IC50 | ChEMBL |
| P17787 | CHRNB2 | Homo sapiens | Human | PF02931 PF02932 | 8.0 | IC50 | ChEMBL |
| P43681 | CHRNA4 | Homo sapiens | Human | PF02931 PF02932 | 8.0 | IC50 | ChEMBL;BindingDB |
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 7.4 | IC50 | ChEMBL;BindingDB |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 6.7 | IC50 | ChEMBL;BindingDB |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 6.1 | Ki | ChEMBL;BindingDB |