Molecule Details
| InChIKey | VHBFFQKBGNRLFZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Flavone |
| Canonical SMILES | O=c1cc(-c2ccccc2)oc2ccccc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 21 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.88 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07776 |
|---|---|
| Drug Name | Flavone |
| CAS Number | 525-82-6 |
| Groups | approved investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Benzopyrans Chromones Flavones Flavonoids Heterocyclic Compounds, Fused-Ring Pyrans
Cross-references: BindingDB: 50028962 ChEBI: 42491 CHEMBL275638 ChemSpider: 10230 Guide to Pharmacology: 409 IUPHAR: 409 C15608 PDB: FLN PubChem:10680 PubChem:99444247 RxCUI: 1536070 Wikipedia: Flavones ZINC: ZINC000000057674
Target Activities (21)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11511 | CYP19A1 | Homo sapiens | Human | PF00067 | 8.1 | IC50 | ChEMBL;BindingDB |
| O00591 | GABRP | Homo sapiens | Human | PF02931 PF02932 | 6.9 | Ki | ChEMBL |
| O14764 | GABRD | Homo sapiens | Human | PF02931 PF02932 | 6.9 | Ki | ChEMBL |
| P14867 | GABRA1 | Homo sapiens | Human | PF02931 PF02932 | 6.9 | Ki | ChEMBL |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.9 | Ki | ChEMBL |
| P18507 | GABRG2 | Homo sapiens | Human | PF02931 PF02932 | 6.9 | Ki | ChEMBL |
| P28472 | GABRB3 | Homo sapiens | Human | PF02931 PF02932 | 6.9 | Ki | ChEMBL |
| P31644 | GABRA5 | Homo sapiens | Human | PF02931 PF02932 | 6.9 | Ki | ChEMBL |
| P34903 | GABRA3 | Homo sapiens | Human | PF02931 PF02932 | 6.9 | Ki | ChEMBL |
| P47869 | GABRA2 | Homo sapiens | Human | PF02931 PF02932 | 6.9 | Ki | ChEMBL |
| P47870 | GABRB2 | Homo sapiens | Human | PF02931 PF02932 | 6.9 | Ki | ChEMBL |
| P48169 | GABRA4 | Homo sapiens | Human | PF02931 PF02932 | 6.9 | Ki | ChEMBL |
| P78334 | GABRE | Homo sapiens | Human | PF02931 PF02932 | 6.9 | Ki | ChEMBL |
| Q16445 | GABRA6 | Homo sapiens | Human | PF02931 PF02932 | 6.9 | Ki | ChEMBL |
| Q8N1C3 | GABRG1 | Homo sapiens | Human | PF02931 PF02932 | 6.9 | Ki | ChEMBL |
| Q99928 | GABRG3 | Homo sapiens | Human | PF02931 PF02932 | 6.9 | Ki | ChEMBL |
| Q9UN88 | GABRQ | Homo sapiens | Human | PF02931 PF02932 | 6.9 | Ki | ChEMBL |
| Q9H2K2 | TNKS2 | Homo sapiens | Human | PF00023 PF12796 PF13637 PF00644 PF07647 | 6.8 | IC50 | ChEMBL;BindingDB |
| P27487 | DPP4 | Homo sapiens | Human | PF00930 PF00326 | 6.8 | IC50 | ChEMBL;BindingDB |
| O95271 | TNKS | Homo sapiens | Human | PF00023 PF12796 PF00644 PF07647 | 6.5 | IC50 | ChEMBL;BindingDB |
| Q16678 | CYP1B1 | Homo sapiens | Human | PF00067 | 6.2 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (10)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O95718 | ESRRB | Steroid hormone receptor ERR2 | agonist | targets |
| P11474 | ESRRA | Steroid hormone receptor ERR1 | agonist | targets |
| P0DMS8 | ADORA3 | Adenosine receptor A3 | antagonist | targets |
| P29275 | ADORA2B | Adenosine receptor A2b | antagonist | targets |
| P30542 | ADORA1 | Adenosine receptor A1 | antagonist | targets |
| P0A3R9 | P0A3R9 | Neocarzinostatin | binder | targets |
| Q16678 | CYP1B1 | Cytochrome P450 1B1 | binder | targets |
| P10275 | AR | Androgen receptor | inhibitor | targets |
| P11511 | CYP19A1 | Aromatase | inhibitor | targets |
| P14867 | GABRA1 | Gamma-aminobutyric acid receptor subunit alpha-1 | inhibitor | targets |