Molecule Details
| InChIKey | DNDNLFXKQSTINI-WUFINQPMSA-N |
|---|---|
| Compound Name | Dnmt3A-IN-2 |
| Canonical SMILES | COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OCCCCOc1ccc(-c2nnn[nH]2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.28 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q07343 | PDE4B | Homo sapiens | Human | PF18100 PF00233 | 9.2 | IC50 | ChEMBL;BindingDB |
| Q08499 | PDE4D | Homo sapiens | Human | PF18100 PF00233 | 9.2 | IC50 | ChEMBL;BindingDB |
| Q9Y233 | PDE10A | Homo sapiens | Human | PF01590 PF00233 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q8WQX9 | PDEB1 | Trypanosoma brucei | Pathogen | PF01590 PF00233 | 8.4 | IC50 | ChEMBL;BindingDB |