Molecule Details
InChIKeyTZBJGXHYKVUXJN-UHFFFAOYSA-N
Compound NameGenistein
Canonical SMILESO=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)12
Pfam Stratification Cross-Family
Avg pChEMBL6.89
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB01645
Drug NameGenistein
CAS Number446-72-0
Groups investigational
ATC Codes nan
DescriptionAn isoflavonoid derived from soy products. It inhibits protein-tyrosine kinase and topoisomerase-II (DNA topoisomerases, type II) activity and is used as an antineoplastic and antitumor agent. Experimentally, it has been shown to induce G2 phase arrest in human and murine cell lines. Additionally, g...

Categories: Anticarcinogenic Agents Antineoplastic Agents BCRP/ABCG2 Inhibitors Benzopyrans Chromones Compounds used in a research, industrial, or household setting Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (weak) Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (moderate) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (weak) Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Enzyme Inhibitors Estrogens, Non-Steroidal Flavonoids Heterocyclic Compounds, Fused-Ring Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Isoflavones OATP1B1/SLCO1B1 Inhibitors Organic Anion Transporting Polypeptide 2B1 Inhibitors P-glycoprotein inhibitors Phytoestrogens Protective Agents Protein Kinase Inhibitors Pyrans Tyrosine Kinase Inhibitors
Cross-references: BindingDB: 19459 ChEBI: 28088 CHEMBL44 ChemSpider: 4444448 Guide to Pharmacology: 2826 IUPHAR: 2826 C06563 PDB: GEN PharmGKB: PA165109660 PubChem:5280961 PubChem:46509060 RxCUI: 25696 Therapeutic Targets Database: DCL000330 Wikipedia: Genistein ZINC: ZINC000018825330
Target Activities (12)
Target Gene Organism Category Pfam pChEMBL Type Source
P11474 ESRRA Homo sapiens Human PF00104 PF00105 8.0 IC50 ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 7.6 pIC50 TTD_MultiTarget
Q92731 ESR2 Homo sapiens Human PF12497 PF00104 PF00105 7.6 IC50 ChEMBL;BindingDB
Q06278 AOX1 Homo sapiens Human PF01315 PF03450 PF00941 PF00111 PF01799 PF02738 PF20256 6.5 IC50 ChEMBL;BindingDB
O95718 ESRRB Homo sapiens Human PF00104 PF00105 6.4 IC50 ChEMBL;BindingDB
P03372 ESR1 Homo sapiens Human PF12743 PF00104 PF02159 PF00105 6.4 IC50 ChEMBL;BindingDB
P45985 MAP2K4 Homo sapiens Human PF00069 6.4 IC50 ChEMBL;BindingDB
P27487 DPP4 Homo sapiens Human PF00930 PF00326 6.3 IC50 ChEMBL;BindingDB
P27338 MAOB Homo sapiens Human PF01593 6.1 IC50 ChEMBL
P21397 MAOA Homo sapiens Human PF01593 6.0 IC50 ChEMBL
P00533 EGFR Homo sapiens Human PF00757 PF14843 PF07714 PF01030 PF21314 6.0 IC50 ChEMBL;BindingDB
Q96WX4 erg6 Pneumocystis carinii (strain B80) Pathogen PF08241 PF08498 9.2 pIC50 TTD_MultiTarget
DrugBank Target Actions (28)
Target Gene Target Name Action Type
P02766 TTR Transthyretin binder carriers
P08684 CYP3A4 Cytochrome P450 3A4 inducer enzymes
P00185 Cyp1a1 Cytochrome P450 1A1 inhibitor enzymes
P05177 CYP1A2 Cytochrome P450 1A2 inhibitor enzymes
P10632 CYP2C8 Cytochrome P450 2C8 inhibitor enzymes
P11712 CYP2C9 Cytochrome P450 2C9 inhibitor enzymes
P04800 P04800 Cytochrome P450 3A1 substrate enzymes
P05177 CYP1A2 Cytochrome P450 1A2 substrate enzymes
P05183 P05183 Cytochrome P450 3A2 substrate enzymes
P13569 CFTR Cystic fibrosis transmembrane conductance regulator activator targets
O95718 ESRRB Steroid hormone receptor ERR2 agonist targets
P11474 ESRRA Steroid hormone receptor ERR1 agonist targets
O75469 NR1I2 Nuclear receptor subfamily 1 group I member 2 binder targets
P03372 ESR1 Estrogen receptor binder targets
P04278 SHBG Sex hormone-binding globulin binder targets
P11388 TOP2A DNA topoisomerase 2-alpha binder targets
P31749 AKT1 RAC-alpha serine/threonine-protein kinase binder targets
Q14289 PTK2B Protein-tyrosine kinase 2-beta binder targets
Q15596 NCOA2 Nuclear receptor coactivator 2 binder targets
Q15788 NCOA1 Nuclear receptor coactivator 1 binder targets
Q16678 CYP1B1 Cytochrome P450 1B1 binder targets
Q99527 GPER1 G-protein coupled estrogen receptor 1 binder targets
Q92731 ESR2 Estrogen receptor beta modulator targets
O94956 SLCO2B1 Solute carrier organic anion transporter family member 2B1 inhibitor transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 inhibitor transporters
P33527 ABCC1 Multidrug resistance-associated protein 1 inhibitor transporters
Q9UNQ0 ABCG2 Broad substrate specificity ATP-binding cassette transporter ABCG2 inhibitor transporters
Q9Y6L6 SLCO1B1 Solute carrier organic anion transporter family member 1B1 inhibitor transporters