Molecule Details
| InChIKey | MLWXMQMZSDIRSR-GODFGCBWSA-N |
|---|---|
| Compound Name | (4S,7S,10S,13R)-4-[(2S)-butan-2-yl]-7-[(1-methoxyindol-3-yl)methyl]-10-[3-(3-propanoyloxiran-2-yl)propyl]-1,5,8,11-tetrazabicyclo[11.4.0]heptadecane-3,6,9,12-tetrone |
| Canonical SMILES | CCC(=O)C1OC1CCC[C@@H]1NC(=O)[C@H]2CCCCN2CC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 12 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.3 |
| 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 | 8.3 | IC50 | ChEMBL |
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 8.3 | pIC50 | TTD_MultiTarget |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 8.3 | pIC50 | TTD_MultiTarget |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 8.3 | pIC50 | TTD_MultiTarget |
| Q8WUI4 | HDAC7 | Homo sapiens | Human | PF00850 | 8.3 | IC50 | ChEMBL |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 8.3 | pIC50 | TTD_MultiTarget |
| Q969S8 | HDAC10 | Homo sapiens | Human | PF00850 | 8.3 | IC50 | ChEMBL |
| Q96DB2 | HDAC11 | Homo sapiens | Human | PF00850 | 8.3 | IC50 | ChEMBL |
| Q9BY41 | HDAC8 | Homo sapiens | Human | PF00850 | 8.3 | IC50 | ChEMBL |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 8.3 | IC50 | ChEMBL |
| Q9UKV0 | HDAC9 | Homo sapiens | Human | PF12203 PF00850 | 8.3 | IC50 | ChEMBL |
| Q9UQL6 | HDAC5 | Homo sapiens | Human | PF12203 PF00850 | 8.3 | IC50 | ChEMBL |