Molecule Details
| InChIKey | FTVWIRXFELQLPI-ZDUSSCGKSA-N |
|---|---|
| Compound Name | Naringenin |
| Canonical SMILES | O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.02 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB03467 |
|---|---|
| Drug Name | Naringenin |
| CAS Number | 480-41-1 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Anti-Ulcer Agents BCRP/ABCG2 Inhibitors Benzopyrans Chromones Estrogen Antagonists Flavonoids Gastrointestinal Agents Heterocyclic Compounds, Fused-Ring Hormone Antagonists Hormones, Hormone Substitutes, and Hormone Antagonists Organic Anion Transporting Polypeptide 2B1 Inhibitors Pyrans
Cross-references: BindingDB: 23419 ChEBI: 17846 CHEMBL9352 ChemSpider: 388383 C00509 PDB: NAR PharmGKB: PA151958361 PubChem:439246 PubChem:46508043 RxCUI: 1368173 Wikipedia: Naringenin ZINC: ZINC000000156701
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 8.4 | Ki | ChEMBL;BindingDB |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 7.4 | Ki | ChEMBL;BindingDB |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 7.1 | Ki | ChEMBL;BindingDB |
| P11511 | CYP19A1 | Homo sapiens | Human | PF00067 | 6.6 | IC50 | ChEMBL;BindingDB |
| P27487 | DPP4 | Homo sapiens | Human | PF00930 PF00326 | 6.6 | IC50 | ChEMBL;BindingDB |
| P04278 | SHBG | Homo sapiens | Human | PF00054 | 6.0 | Kd | ChEMBL;BindingDB |
DrugBank Target Actions (14)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q04828 | AKR1C1 | Aldo-keto reductase family 1 member C1 | antagonist | targets |
| P03372 | ESR1 | Estrogen receptor | binder | targets |
| P04278 | SHBG | Sex hormone-binding globulin | binder | targets |
| Q16678 | CYP1B1 | Cytochrome P450 1B1 | binder | targets |
| Q9AIU0 | Q9AIU0 | HTH-type transcriptional regulator TtgR | binder | targets |
| Q9P2N6 | Q9P2N6 | KAT8 regulatory NSL complex subunit 3 | binder | targets |
| P11511 | CYP19A1 | Aromatase | inhibitor | targets |
| P14061 | HSD17B1 | 17-beta-hydroxysteroid dehydrogenase type 1 | inhibitor | targets |
| Q04760 | GLO1 | Lactoylglutathione lyase | inhibitor | targets |
| Q92731 | ESR2 | Estrogen receptor beta | partial agonist | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | downregulator | transporters |
| O94956 | SLCO2B1 | Solute carrier organic anion transporter family member 2B1 | inhibitor | transporters |
| P33527 | ABCC1 | Multidrug resistance-associated protein 1 | inhibitor | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | inhibitor | transporters |