Molecule Details
| InChIKey | WYIZVDUQZZZLAR-CAOCKLPOSA-N |
|---|---|
| Compound Name | (3S,6R,7R)-N-[6-(hydroxyamino)-6-oxohexyl]-6-(2-methylpropyl)-5-oxo-13-oxa-4-azatricyclo[12.2.2.14,7]nonadeca-1(17),14(18),15-triene-3-carboxamide |
| Canonical SMILES | CC(C)C[C@H]1C(=O)N2C[C@@H]1CCCCCOc1ccc(cc1)C[C@H]2C(=O)NCCCCCC(=O)NO |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 12 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.42 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (12)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 7.4 | IC50 | ChEMBL |
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 7.4 | pIC50 | TTD_MultiTarget |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 7.4 | pIC50 | TTD_MultiTarget |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 7.4 | pIC50 | TTD_MultiTarget |
| Q8WUI4 | HDAC7 | Homo sapiens | Human | PF00850 | 7.4 | IC50 | ChEMBL |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 7.4 | pIC50 | TTD_MultiTarget |
| Q969S8 | HDAC10 | Homo sapiens | Human | PF00850 | 7.4 | IC50 | ChEMBL |
| Q96DB2 | HDAC11 | Homo sapiens | Human | PF00850 | 7.4 | IC50 | ChEMBL |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 7.4 | IC50 | ChEMBL |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 7.4 | IC50 | ChEMBL |
| Q9UKV0 | HDAC9 | Homo sapiens | Human | PF12203 PF00850 | 7.4 | IC50 | ChEMBL |
| Q9UQL6 | HDAC5 | Homo sapiens | Human | PF12203 PF00850 | 7.4 | IC50 | ChEMBL |