Molecule Details
| InChIKey | SLYBJCUKCICSBD-NDEPHWFRSA-N |
|---|---|
| Compound Name | (S)-tert-butyl 3-((1-benzyl-2-oxopyrrolidin-3-yl)((1-(4-cyanobenzyl)-1H-imidazol-5-yl)methyl)amino)propylcarbamate |
| Canonical SMILES | CC(C)(C)OC(=O)NCCCN(Cc1cncn1Cc1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.39 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49354 | FNTA | Homo sapiens | Human | PF01239 | 7.7 | pIC50 | TTD_MultiTarget |
| P49356 | FNTB | Homo sapiens | Human | PF00432 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 7.0 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | Clinical | TTD_MultiTarget | TTD_MultiTarget |