Molecule Details
| InChIKey | GDMLXKZMNHJKNI-IAPPQJPRSA-N |
|---|---|
| Compound Name | US10040781, Example 489 |
| Canonical SMILES | COCC(=O)N1CC[C@H](Oc2ccc(-c3ncnc(Nc4ccc(C5CCN(C)CC5)c(C)c4)n3)cc2C#N)[C@H](F)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.55 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UHD2 | TBK1 | Homo sapiens | Human | PF00069 PF18394 PF18396 | 8.4 | IC50 | BindingDB |
| Q14164 | IKBKE | Homo sapiens | Human | PF00069 PF18394 PF18396 | 7.5 | IC50 | BindingDB |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.7 | IC50 | ChEMBL;BindingDB |