Molecule Details
| InChIKey | CZQHHVNHHHRRDU-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |
| Canonical SMILES | O=c1cc(N2CCOCC2)oc2c(-c3ccccc3)cccc12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 12 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.17 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB02656 |
|---|---|
| Drug Name | LY-294002 |
| CAS Number | 154447-36-6 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Specific inhibitor of phosphatidylinositol 3-kinase. |
Categories: Benzopyrans Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Oxazines Phosphatidylinositol 3-Kinases, antagonists & inhibitors Pyrans
Cross-references: BindingDB: 12915 ChEBI: 65329 CHEMBL98350 ChemSpider: 3835 C15195 PDB: LY2 PubChem:3973 PubChem:46504762 ZINC: ZINC000000006014
Target Activities (12)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P78527 | PRKDC | Homo sapiens | Human | PF20500 PF20502 PF08163 PF19704 PF02259 PF02260 PF00454 | 6.5 | IC50 | ChEMBL;BindingDB |
| P42336 | PIK3CA | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 6.3 | IC50 | ChEMBL;BindingDB |
| P27986 | PIK3R1 | Homo sapiens | Human | PF16454 PF00620 PF00017 | 6.2 | IC50 | BindingDB |
| O00329 | PIK3CD | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 6.2 | IC50 | ChEMBL;BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.1 | IC50 | ChEMBL |
| O00459 | PIK3R2 | Homo sapiens | Human | PF16454 PF00620 PF00017 | 6.1 | IC50 | ChEMBL;BindingDB |
| P42338 | PIK3CB | Homo sapiens | Human | PF00454 PF00792 PF02192 PF00794 PF00613 | 6.1 | IC50 | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL;BindingDB |
| P48736 | PIK3CG | Homo sapiens | Human | PF00454 PF00792 PF00794 PF00613 PF19710 | 6.0 | IC50 | ChEMBL;BindingDB |
| P05177 | CYP1A2 | Homo sapiens | Human | PF00067 | 6.0 | IC50 | ChEMBL |
| P42345 | MTOR | Homo sapiens | Human | PF02259 PF02260 PF08771 PF23593 PF11865 PF00454 | Clinical | TTD_MultiTarget | TTD_MultiTarget |