Molecule Details
| InChIKey | DJVYXMINSBMUHH-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-(trans-4-Morpholinocyclohexyl)-5-(tetrahydro-2H-pyran-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| Canonical SMILES | c1nc(NC2CCC(N3CCOCC3)CC2)c2c(C3CCOCC3)c[nH]c2n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.76 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q8TF76 | HASPIN | Homo sapiens | Human | PF12330 | 8.4 | IC50 | BindingDB |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 8.3 | IC50 | BindingDB |
| Q9NWZ3 | IRAK4 | Homo sapiens | Human | PF07714 | 8.3 | IC50 | BindingDB |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 8.1 | IC50 | BindingDB |
| P51617 | IRAK1 | Homo sapiens | Human | PF00531 PF00069 | 7.6 | IC50 | BindingDB |
| P49759 | CLK1 | Homo sapiens | Human | PF00069 | 7.3 | IC50 | BindingDB |
| Q9Y616 | IRAK3 | Homo sapiens | Human | PF00531 PF00069 | 7.3 | IC50 | BindingDB |
| O43187 | IRAK2 | Homo sapiens | Human | PF00531 PF00069 | 6.8 | Kd | BindingDB |