Molecule Details
| InChIKey | NXJJIJDRIRMSCO-AWEZNQCLSA-N |
|---|---|
| Compound Name | US11066396, Example 35 |
| Canonical SMILES | O=C1COC[C@@H](c2nc3ccccc3o2)N1c1ccc(-c2noc(C(F)(F)F)n2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.64 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UQL6 | HDAC5 | Homo sapiens | Human | PF12203 PF00850 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 6.4 | IC50 | ChEMBL;BindingDB |