Molecule Details
| InChIKey | HRJWTAWVFDCTGO-UHFFFAOYSA-N |
|---|---|
| Compound Name | Ly-2090314 |
| Canonical SMILES | O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 13 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.69 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11913 |
|---|---|
| Drug Name | LY-2090314 |
| CAS Number | 603288-22-8 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Ly2090314 has been used in trials studying the treatment of Leukemia, Advanced Cancer, and Pancreatic Cancer. |
Categories: Acids, Acyclic Dicarboxylic Acids Glycogen Synthase Kinase 3, antagonists & inhibitors Heterocyclic Compounds, Fused-Ring Imides Maleates
Cross-references: BindingDB: 50150699 CHEMBL362558 ChemSpider: 8204956 PubChem:10029385 PubChem:347828245 ZINC: ZINC000003817327
Target Activities (13)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 9.0 | IC50 | ChEMBL;BindingDB |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 8.8 | IC50 | ChEMBL;BindingDB |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.6 | Ki | ChEMBL |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.5 | Ki | ChEMBL |
| P05771 | PRKCB | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.4 | IC50 | ChEMBL;BindingDB |
| Q9UEE5 | STK17A | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 6.2 | Ki | ChEMBL |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 6.2 | Ki | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 6.1 | Ki | ChEMBL |
| Q16513 | PKN2 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 6.1 | Ki | ChEMBL |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 6.0 | Ki | ChEMBL |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | Clinical | TTD_MultiTarget | TTD_MultiTarget |