Molecule Details
| InChIKey | KULAYTGUTXCHSV-QFIPXVFZSA-N |
|---|---|
| Compound Name | (2S)-2-[(4-{[(1H-imidazol-4-ylmethyl)amino]methyl}-2-(2-methylphenyl)phenyl)formamido]-4-(methylsulfanyl)butanoic acid |
| Canonical SMILES | CSCC[C@H](NC(=O)c1ccc(CNCc2c[nH]cn2)cc1-c1ccccc1C)C(=O)O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.41 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49354 | FNTA | Homo sapiens | Human | PF01239 | 9.1 | pIC50 | TTD_MultiTarget |
| P49356 | FNTB | Homo sapiens | Human | PF00432 | 8.9 | IC50 | ChEMBL;BindingDB |
| Q5E175 | rhlE | Aliivibrio fischeri (strain ATCC 700601 / ES114) | Pathogen | PF00270 PF00271 | 7.8 | IC50 | BindingDB |
| Q5EI73 | Plasmodium falciparum | Pathogen | PF01239 | 7.8 | IC50 | ChEMBL |