Molecule Details
| InChIKey | IZVROLMEXNRNHZ-HKBQPEDESA-N |
|---|---|
| Compound Name | (S)-4-((5-(((1-benzyl-2-oxopyrrolidin-3-yl)(3-phenylpropyl)amino)methyl)-1H-imidazol-1-yl)methyl)benzonitrile |
| Canonical SMILES | N#Cc1ccc(Cn2cncc2CN(CCCc2ccccc2)[C@H]2CCN(Cc3ccccc3)C2=O)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.64 |
| 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 | 7.8 | pIC50 | TTD_MultiTarget |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 7.6 | IC50 | ChEMBL;BindingDB |
| P49356 | FNTB | Homo sapiens | Human | PF00432 | 7.5 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | Clinical | TTD_MultiTarget | TTD_MultiTarget |