Molecule Details
| InChIKey | VYLMFRUDZGQCNT-QFIPXVFZSA-N |
|---|---|
| Compound Name | 4-{[5-({[(3S)-1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino}methyl)-1H-imidazol-1-yl]methyl}benzonitrile |
| Canonical SMILES | N#Cc1ccc(Cn2cncc2CN[C@H]2CCN(Cc3cccc(Cl)c3)C2=O)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.46 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49354 | FNTA | Homo sapiens | Human | PF01239 | 9.3 | pIC50 | TTD_MultiTarget |
| P49356 | FNTB | Homo sapiens | Human | PF00432 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.4 | IC50 | ChEMBL;BindingDB |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.0 | IC50 | ChEMBL |
| Q5E175 | rhlE | Aliivibrio fischeri (strain ATCC 700601 / ES114) | Pathogen | PF00270 PF00271 | 7.2 | IC50 | BindingDB |
| Q5EI73 | Plasmodium falciparum | Pathogen | PF01239 | 7.2 | IC50 | ChEMBL |