Molecule Details
| InChIKey | RUSJYWZWAOCFFO-UHFFFAOYSA-N |
|---|---|
| Compound Name | Triazole Ligand, 14b |
| Canonical SMILES | O=C(CCCCCCC(=O)Nc1cccc(-c2cnnn2Cc2ccc(F)cc2)c1)NO |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.75 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 8.4 | IC50 | ChEMBL;BindingDB |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 8.0 | pIC50 | TTD_MultiTarget |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 8.0 | pIC50 | TTD_MultiTarget |
| Q969S8 | HDAC10 | Homo sapiens | Human | PF00850 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 7.6 | pIC50 | TTD_MultiTarget |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 6.3 | IC50 | ChEMBL;BindingDB |