Molecule Details
| InChIKey | DNDNLFXKQSTINI-IZLXSDGUSA-N |
|---|---|
| Compound Name | DNMT3A inhibitor 2 |
| Canonical SMILES | COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@@H]23)cc1OCCCCOc1ccc(-c2nn[nH]n2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.06 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P27815 | PDE4A | Homo sapiens | Human | PF18100 PF00233 | 9.2 | IC50 | ChEMBL |
| Q07343 | PDE4B | Homo sapiens | Human | PF18100 PF00233 | 9.2 | IC50 | ChEMBL |
| Q08493 | PDE4C | Homo sapiens | Human | PF18100 PF00233 | 9.2 | IC50 | ChEMBL |
| Q08499 | PDE4D | Homo sapiens | Human | PF18100 PF00233 | 9.2 | IC50 | ChEMBL |
| Q8WQX9 | PDEB1 | Trypanosoma brucei | Pathogen | PF01590 PF00233 | 8.4 | IC50 | ChEMBL;BindingDB |