Molecule Details
| InChIKey | DSSNAGYVGTYAGH-AREMUKBSSA-N |
|---|---|
| Compound Name | Hpk1-IN-31 |
| Canonical SMILES | CC(C)(O)Cn1cc(-c2cnc3nc2N[C@H](CO)c2ccccc2OCCCCc2cc(ccc2C#N)N3)cn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.47 |
| Source | ChEMBL |
2D Structure
Activity Profile
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q12866 | MERTK | Homo sapiens | Human | PF00041 PF00047 PF13927 PF07714 | 8.0 | IC50 | ChEMBL |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 7.7 | IC50 | ChEMBL |
| Q7L7X3 | TAOK1 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL |
| Q92918 | MAP4K1 | Homo sapiens | Human | PF00780 PF00069 | 7.7 | IC50 | ChEMBL |
| Q9Y4K4 | MAP4K5 | Homo sapiens | Human | PF00780 PF00069 | 7.7 | IC50 | ChEMBL |
| Q06418 | TYRO3 | Homo sapiens | Human | PF00041 PF07679 PF07714 | 7.4 | IC50 | ChEMBL |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL |
| Q9NWZ3 | IRAK4 | Homo sapiens | Human | PF07714 | 7.2 | IC50 | ChEMBL |
| Q8IVH8 | MAP4K3 | Homo sapiens | Human | PF00780 PF00069 | 7.1 | IC50 | ChEMBL |
| Q12851 | MAP4K2 | Homo sapiens | Human | PF00780 PF00069 | 6.9 | IC50 | ChEMBL |