Molecule Details
| InChIKey | VNDWQCSOSCCWIP-UHFFFAOYSA-N |
|---|---|
| Compound Name | Pyridone 6 |
| Canonical SMILES | CC(C)(C)c1nc2c3ccc(F)cc3c3c(=O)[nH]ccc3c2[nH]1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 39 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.02 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04716 |
|---|---|
| Drug Name | 2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one |
| CAS Number | 457081-03-7 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Heterocyclic Compounds, Fused-Ring Pyridines
Cross-references: BindingDB: 26198 ChEBI: 87103 CHEMBL21156 ChemSpider: 4591874 PDB: IZA PubChem:5494425 PubChem:46505719 ZINC: ZINC000012504479
Target Activities (39)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43293 | DAPK3 | Homo sapiens | Human | PF00069 | 9.0 | Ki | ChEMBL |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 9.0 | IC50 | ChEMBL;BindingDB |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 9.0 | IC50 | ChEMBL;BindingDB |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 8.3 | IC50 | ChEMBL;BindingDB |
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.8 | IC50 | ChEMBL;BindingDB |
| P45983 | MAPK8 | Homo sapiens | Human | PF00069 | 7.8 | Ki | ChEMBL |
| O15530 | PDPK1 | Homo sapiens | Human | PF14593 PF00069 | 7.7 | IC50 | BindingDB |
| P29376 | LTK | Homo sapiens | Human | PF12810 PF07714 | 7.6 | Ki | ChEMBL |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 7.6 | Ki | ChEMBL |
| P31749 | AKT1 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 7.5 | IC50 | BindingDB |
| Q04912 | MST1R | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 7.5 | Ki | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 7.3 | Ki | ChEMBL |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 7.1 | Ki | ChEMBL |
| P45984 | MAPK9 | Homo sapiens | Human | PF00069 | 7.1 | Ki | ChEMBL |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 7.1 | Ki | ChEMBL |
| Q14164 | IKBKE | Homo sapiens | Human | PF00069 PF18394 PF18396 | 7.0 | Ki | ChEMBL |
| Q07912 | TNK2 | Homo sapiens | Human | PF09027 PF11555 PF07714 PF22931 PF14604 | 6.9 | Ki | ChEMBL |
| Q02750 | MAP2K1 | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 6.8 | Ki | ChEMBL |
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 6.8 | Ki | ChEMBL |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 6.7 | Ki | ChEMBL |
| Q9UHD2 | TBK1 | Homo sapiens | Human | PF00069 PF18394 PF18396 | 6.7 | Ki | ChEMBL |
| P36507 | MAP2K2 | Homo sapiens | Human | PF00069 | 6.6 | IC50 | ChEMBL |
| O14920 | IKBKB | Homo sapiens | Human | PF18397 PF12179 PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.5 | pIC50 | TTD_MultiTarget |
| Q14680 | MELK | Homo sapiens | Human | PF02149 PF00069 PF21594 | 6.5 | IC50 | ChEMBL;BindingDB |
| P34947 | GRK5 | Homo sapiens | Human | PF00069 PF00615 | 6.4 | Ki | ChEMBL |
| P51812 | RPS6KA3 | Homo sapiens | Human | PF00069 PF00433 | 6.4 | Ki | ChEMBL |
| P06241 | FYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.3 | IC50 | ChEMBL;BindingDB |
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 6.3 | Ki | ChEMBL |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| P35916 | FLT4 | Homo sapiens | Human | PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.2 | IC50 | ChEMBL;BindingDB |
| Q04759 | PRKCQ | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 6.1 | Ki | ChEMBL |
| Q05397 | PTK2 | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 6.1 | Ki | ChEMBL |
| P21802 | FGFR2 | Homo sapiens | Human | PF07679 PF13927 PF07714 | 6.0 | IC50 | ChEMBL;BindingDB |
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 6.0 | Ki | ChEMBL |
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O43293 | DAPK3 | Death-associated protein kinase 3 | binder | targets |
| P23458 | JAK1 | Tyrosine-protein kinase JAK1 | binder | targets |
| O60674 | JAK2 | Tyrosine-protein kinase JAK2 | inhibitor | targets |
| P29597 | TYK2 | Non-receptor tyrosine-protein kinase TYK2 | inhibitor | targets |
| P52333 | JAK3 | Tyrosine-protein kinase JAK3 | inhibitor | targets |