Molecule Details
| InChIKey | AVTYXXHFKLUIQU-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2,2,2-Trifluoro-1-(5-(3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl)thiophen-2-yl)ethanone |
| Canonical SMILES | O=C(c1ccc(-c2nc(Cc3cccs3)no2)s1)C(F)(F)F |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.63 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 6.4 | pIC50 | TTD_MultiTarget |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 6.2 | IC50 | ChEMBL;BindingDB |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 6.0 | pIC50 | TTD_MultiTarget |