Molecule Details
| InChIKey | TUQJHTWUEYMRMU-SNAWJCMRSA-N |
|---|---|
| Compound Name | (E)-3-[3-[(1-adamantylamino)methyl]phenyl]-N-hydroxyprop-2-enamide |
| Canonical SMILES | O=C(/C=C/c1cccc(CNC23CC4CC(CC(C4)C2)C3)c1)NO |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.38 |
| 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 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 7.6 | IC50 | ChEMBL;BindingDB |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q9UQL6 | HDAC5 | Homo sapiens | Human | PF12203 PF00850 | 6.6 | IC50 | ChEMBL;BindingDB |