Molecule Details
| InChIKey | VTVJPXWTXILBGK-UHFFFAOYSA-N |
|---|---|
| Compound Name | 8-Mercapto-octanoic acid phenylamide |
| Canonical SMILES | O=C(CCCCCCCS)Nc1ccccc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.71 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 7.2 | IC50 | ChEMBL;BindingDB |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q96DB2 | HDAC11 | Homo sapiens | Human | PF00850 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q969S8 | HDAC10 | Homo sapiens | Human | PF00850 | 6.6 | IC50 | ChEMBL;BindingDB |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 6.1 | IC50 | ChEMBL;BindingDB |
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | Clinical | TTD_MultiTarget | TTD_MultiTarget |