Molecule Details
| InChIKey | NULJNWINBNQZPW-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide |
| Canonical SMILES | COc1ccc(CCNC(=O)c2cnc(SC)nc2N2CCOCC2)cc1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.66 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q07343 | PDE4B | Homo sapiens | Human | PF18100 PF00233 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q08499 | PDE4D | Homo sapiens | Human | PF18100 PF00233 | 6.9 | IC50 | ChEMBL;BindingDB |
| P27815 | PDE4A | Homo sapiens | Human | PF18100 PF00233 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q08493 | PDE4C | Homo sapiens | Human | PF18100 PF00233 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q9HCR9 | PDE11A | Homo sapiens | Human | PF01590 PF00233 | 6.2 | IC50 | ChEMBL;BindingDB |