Molecule Details
| InChIKey | VFMMPHCGEFXGIP-UHFFFAOYSA-N |
|---|---|
| Compound Name | Alpha-Naphthoflavone |
| Canonical SMILES | O=c1cc(-c2ccccc2)oc2c1ccc1ccccc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.28 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07453 |
|---|---|
| Drug Name | alpha-Naphthoflavone |
| CAS Number | 604-59-1 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Benzopyrans Chromones Flavonoids Heterocyclic Compounds, Fused-Ring Pyrans
Cross-references: BindingDB: 50014323 ChEBI: 76995 CHEMBL283196 ChemSpider: 11297 PDB: BHF PubChem:11790 PubChem:99443924 Wikipedia: Alpha-Naphthoflavone ZINC: ZINC000000038933
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q16678 | CYP1B1 | Homo sapiens | Human | PF00067 | 8.0 | IC50 | ChEMBL;BindingDB |
| P05177 | CYP1A2 | Homo sapiens | Human | PF00067 | 7.5 | IC50 | ChEMBL;BindingDB |
| P11511 | CYP19A1 | Homo sapiens | Human | PF00067 | 7.4 | IC50 | ChEMBL;BindingDB |
| P04798 | CYP1A1 | Homo sapiens | Human | PF00067 | 7.3 | IC50 | ChEMBL;BindingDB |
| P30542 | ADORA1 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL |