Molecule Details
| InChIKey | YXJPLEKIYDOIFE-YCNYHXFESA-N |
|---|---|
| Compound Name | 5-[4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(4-hydroxyphenyl)but-1-en-2-yl]phenyl]-N-hydroxypentanamide |
| Canonical SMILES | CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccc(CCCCC(=O)NO)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.22 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 6.5 | IC50 | ChEMBL;BindingDB |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 6.1 | IC50 | ChEMBL;BindingDB |
| Q9Y618 | NCOR2 | Homo sapiens | Human | PF15784 PF00249 | 6.1 | IC50 | ChEMBL |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 6.1 | IC50 | ChEMBL;BindingDB |