Molecule Details
| InChIKey | ILQPFWGPYWQTHJ-VSFZPWCASA-N |
|---|---|
| Compound Name | (E)-3-{4-[(S)-3-(2-tert-Butyl-1H-indol-3-yl)piperidin-1-ylmethyl]-3-fluorophenyl}-N-hydroxyacrylamide |
| Canonical SMILES | CC(C)(C)c1[nH]c2ccccc2c1[C@@H]1CCCN(Cc2ccc(/C=C/C(=O)NO)cc2F)C1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.23 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 7.8 | pIC50 | TTD_MultiTarget |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 7.7 | IC50 | ChEMBL;BindingDB |
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 7.3 | pIC50 | TTD_MultiTarget |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 7.0 | pIC50 | TTD_MultiTarget |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 6.4 | IC50 | ChEMBL;BindingDB |