Molecule Details
| InChIKey | DPRGHBSJLMJJBS-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-[3-[3-[5-[(3,5-dichloro-4-pyridinyl)carbamoylamino]-1-ethyl-6-oxopyridazin-3-yl]phenyl]phenyl]-N-[7-[2-hydroxyethyl(methyl)amino]heptyl]acetamide |
| Canonical SMILES | CCn1nc(-c2cccc(-c3cccc(CC(=O)NCCCCCCCN(C)CCO)c3)c2)cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.86 |
| 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 | 10.3 | IC50 | ChEMBL;BindingDB |
| P30542 | ADORA1 | Homo sapiens | Human | PF00001 | 7.5 | IC50 | ChEMBL;BindingDB |
| P29274 | ADORA2A | Homo sapiens | Human | PF00001 | 7.2 | IC50 | ChEMBL;BindingDB |
| P29275 | ADORA2B | Homo sapiens | Human | PF00001 | 6.3 | IC50 | ChEMBL;BindingDB |