Molecule Details
| InChIKey | SUFQAOLKAMDVKJ-UHFFFAOYSA-N |
|---|---|
| Compound Name | US9938257, Example 7 |
| Canonical SMILES | N#CCC(=O)N1CC2CC(Nc3nc(Nc4cnn(-c5ccccn5)c4)ncc3Cl)CC2C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.34 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 9.2 | IC50 | ChEMBL;BindingDB |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 8.1 | IC50 | ChEMBL;BindingDB |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.7 | IC50 | ChEMBL;BindingDB |