Molecule Details
| InChIKey | KJMURTHIPWRIMC-UHFFFAOYSA-N |
|---|---|
| Compound Name | NIK inhibitor 12f |
| Canonical SMILES | CC(O)(C#Cc1ccc(N2CCOCC2)c(Nc2ncnc3[nH]ccc23)c1)c1nccs1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.03 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q99558 | MAP3K14 | Homo sapiens | Human | PF00069 | 8.0 | IC50 | ChEMBL;BindingDB |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q16288 | NTRK3 | Homo sapiens | Human | PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 7.0 | IC50 | ChEMBL;BindingDB |
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.7 | IC50 | ChEMBL;BindingDB |
| Q07912 | TNK2 | Homo sapiens | Human | PF09027 PF11555 PF07714 PF22931 PF14604 | 6.7 | IC50 | ChEMBL;BindingDB |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.0 | IC50 | ChEMBL;BindingDB |