Molecule Details
| InChIKey | DJJICDKYOCVBNI-HNNXBMFYSA-N |
|---|---|
| Compound Name | (7S)-7-amino-7-[5-(2-fluorophenyl)isoxazol-3-yl]-1-isoxazol-3-yl-heptan-1-one |
| Canonical SMILES | N[C@@H](CCCCCC(=O)c1ccon1)c1cc(-c2ccccc2F)on1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.88 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 8.5 | IC50 | ChEMBL;BindingDB |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 8.5 | IC50 | ChEMBL;BindingDB |
| O75376 | NCOR1 | Homo sapiens | Human | PF15784 PF00249 | 8.5 | IC50 | ChEMBL;BindingDB |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 6.2 | IC50 | ChEMBL;BindingDB |