Molecule Details
| InChIKey | SZDMMLKTDJTENB-SFTDATJTSA-N |
|---|---|
| Compound Name | US12331044, Example 157 |
| Canonical SMILES | COc1nc2ccccc2cc1-c1cnc([C@H](CCCCCC(=O)c2ncco2)NC(=O)[C@@H]2CCC(=O)N2)[nH]1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.11 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 9.2 | IC50 | BindingDB |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 9.0 | IC50 | BindingDB |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 8.4 | IC50 | BindingDB |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 7.5 | IC50 | BindingDB |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 6.4 | IC50 | BindingDB |