Molecule Details
| InChIKey | FGJCGXHQLHHNFO-MDZDMXLPSA-N |
|---|---|
| Compound Name | 2-Propenamide, N-hydroxy-3-(4-(((2-hydroxyethyl)(2-(1H-indol-2-yl)ethyl)amino)methyl)phenyl)- |
| Canonical SMILES | O=C(/C=C/c1ccc(CN(CCO)CCc2cc3ccccc3[nH]2)cc1)NO |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.12 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 8.7 | pIC50 | TTD_MultiTarget |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 8.7 | pIC50 | TTD_MultiTarget |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 8.4 | IC50 | ChEMBL;BindingDB |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 6.8 | IC50 | ChEMBL;BindingDB |