Molecule Details
| InChIKey | FBOIQKKEKYJGGI-UJYFFLPMSA-N |
|---|---|
| Compound Name | (4S,7S,10S,13R)-4-[(2S)-butan-2-yl]-7-[(1-methoxyindol-3-yl)methyl]-10-[6-(oxiran-2-yl)-6-oxohexyl]-1,5,8,11-tetrazabicyclo[11.4.0]heptadecane-3,6,9,12-tetrone |
| Canonical SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)C2CO2)NC(=O)[C@H]2CCCCN2CC1=O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 9.67 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P56524 | HDAC4 | Homo sapiens | Human | PF12203 PF00850 | 10.0 | pIC50 | TTD_MultiTarget |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 10.0 | pIC50 | TTD_MultiTarget |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 10.0 | pIC50 | TTD_MultiTarget |
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 10.0 | pIC50 | TTD_MultiTarget |
| A0A7G2HKP9 | Cryptosporidium parvum | Pathogen | PF00850 | 9.0 | IC50 | BindingDB | |
| Q9GU59 | HD2 | Cryptosporidium parvum | Pathogen | PF00850 | 9.0 | IC50 | ChEMBL |