Molecule Details
| InChIKey | VSPFURGQAYMVAN-UHFFFAOYSA-N |
|---|---|
| Compound Name | SB-220025 |
| Canonical SMILES | Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 17 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.75 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04338 |
|---|---|
| Drug Name | SB220025 |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Calcium-Calmodulin-Dependent Protein Kinases, antagonists & inhibitors
Cross-references: BindingDB: 15239 ChEBI: 82713 CHEMBL274064 ChemSpider: 4980 PDB: SB4 PubChem:5164 PubChem:46506944 ZINC: ZINC000000007258
Target Activities (17)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P48729 | CSNK1A1 | Homo sapiens | Human | PF00069 | 7.9 | Ki | ChEMBL |
| P48730 | CSNK1D | Homo sapiens | Human | PF00069 | 7.9 | Ki | ChEMBL |
| Q16539 | MAPK14 | Homo sapiens | Human | PF00069 | 7.7 | IC50 | ChEMBL;BindingDB |
| O15264 | MAPK13 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL |
| P53778 | MAPK12 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL |
| Q15759 | MAPK11 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.9 | Ki | ChEMBL |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.6 | Ki | ChEMBL |
| P07948 | LYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.5 | Ki | ChEMBL |
| Q9Y4K4 | MAP4K5 | Homo sapiens | Human | PF00780 PF00069 | 6.3 | Ki | ChEMBL |
| O43353 | RIPK2 | Homo sapiens | Human | PF00619 PF07714 | 6.2 | IC50 | ChEMBL |
| O95819 | MAP4K4 | Homo sapiens | Human | PF00780 PF00069 | 6.1 | Ki | ChEMBL |
| P53667 | LIMK1 | Homo sapiens | Human | PF00412 PF00595 PF07714 | 6.1 | Ki | ChEMBL |
| P68400 | CSNK2A1 | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| Q14680 | MELK | Homo sapiens | Human | PF02149 PF00069 PF21594 | 6.1 | Ki | ChEMBL |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |