Molecule Details
| InChIKey | OEZSNGIQMOKVLE-OHCFRWENSA-N |
|---|---|
| Compound Name | (3S,6S,9S,13S)-3-[[1-[(dimethylamino)methyl]indol-3-yl]methyl]-9-methyl-13-(2-methylpropyl)-6-propyl-1,4,7,10-tetrazacyclotridecane-2,5,8,11-tetrone |
| Canonical SMILES | CCC[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2cn(CN(C)C)c3ccccc23)NC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.63 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q92769 | HDAC2 | Homo sapiens | Human | PF00850 | 7.5 | Ki | ChEMBL;BindingDB |
| Q9Y618 | NCOR2 | Homo sapiens | Human | PF15784 PF00249 | 6.8 | IC50 | ChEMBL |
| Q13547 | HDAC1 | Homo sapiens | Human | PF00850 | 6.2 | IC50 | ChEMBL;BindingDB |
| O15379 | HDAC3 | Homo sapiens | Human | PF00850 | 6.1 | IC50 | ChEMBL;BindingDB |