Molecule Details
| InChIKey | JOXNGQVGMOLDNJ-RBQQCVMASA-N |
|---|---|
| Compound Name | US12331044, Example 100 |
| Canonical SMILES | COc1cc2nc(C)ccc2cc1-c1cnc([C@H](CCCCCC(=O)C2NC=CO2)NC(=O)C2CN(C)C2)o1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.18 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 9.6 | IC50 | BindingDB |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 9.3 | IC50 | BindingDB |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 8.9 | IC50 | BindingDB |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 6.9 | IC50 | BindingDB |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 6.2 | IC50 | BindingDB |