Molecule Details
| InChIKey | ZQSIJRDFPHDXIC-UHFFFAOYSA-N |
|---|---|
| Compound Name | Daidzein |
| Canonical SMILES | O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.71 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB13182 |
|---|---|
| Drug Name | Daidzein |
| CAS Number | 486-66-8 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Antineoplastic Agents Benzopyrans Chromones Enzyme Inhibitors Estrogens, Non-Steroidal Flavonoids Growth Inhibitors Heterocyclic Compounds, Fused-Ring Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Phytoestrogens Pyrans Topoisomerase II Inhibitors Topoisomerase Inhibitors
Cross-references: BindingDB: 23420 ChEBI: 28197 CHEMBL8145 ChemSpider: 4445025 C10208 PDB: ZF1 Wikipedia: Daidzein ZINC: ZINC000018847034
Target Activities (8)
| 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 | 7.2 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.5 | pIC50 | TTD_MultiTarget |
| Q92731 | ESR2 | Homo sapiens | Human | PF12497 PF00104 PF00105 | 6.5 | IC50 | ChEMBL;BindingDB |
| P03372 | ESR1 | Homo sapiens | Human | PF12743 PF00104 PF02159 PF00105 | 6.3 | IC50 | ChEMBL;BindingDB |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 6.1 | Ki | ChEMBL;BindingDB |
| Q9UBN7 | HDAC6 | Homo sapiens | Human | PF00850 PF02148 | 6.0 | IC50 | ChEMBL |
| Q96WX4 | erg6 | Pneumocystis carinii (strain B80) | Pathogen | PF08241 PF08498 | 6.5 | pIC50 | TTD_MultiTarget |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q9UL62 | TRPC5 | Short transient receptor potential channel 5 | activator | targets |
| P11474 | ESRRA | Steroid hormone receptor ERR1 | agonist | targets |
| P03372 | ESR1 | Estrogen receptor | inhibitor | targets |
| P15121 | AKR1B1 | Aldo-keto reductase family 1 member B1 | inhibitor | targets |
| Q92731 | ESR2 | Estrogen receptor beta | inhibitor | targets |