GENISTEIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: DH2M523P0H

Structure
InChI Key TZBJGXHYKVUXJN-UHFFFAOYSA-N
Smile O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12
InChI
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H10O5
Molecular Weight 270.24
AlogP 2.58
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 90.9
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 19 Cytochrome P450 family 19A Cytochrome P450 19A1
- - - 100000 -
Enzyme Hydrolase
- 2610-10400 - 10400 11-41
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase DAPK family
- 98000 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family
- 93000 - - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE7 family
- 400 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- 10000 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 1000-25120 - - 63-80
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 58180 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Syk family
- 39000 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tec family
- 67990 - - -
Enzyme Lyase
- 26000 - - -
Enzyme Oxidoreductase
- 3900-9700 - - 31-97
Enzyme Phosphatase Protein Phosphatase Tyrosine protein phosphatase
- - - - 29
Enzyme Protease Cysteine protease Cysteine protease CA clan Cysteine protease C1A family
- 82700 - - -
Enzyme Protease Serine protease Serine protease SC clan Serine protease S9B subfamily
- 480 - - -
Enzyme Protease Threonine protease Threonine protease PBT clan Threonine protease T1A subfamily
- 9260-65000 - - -
Enzyme
- 1000-25120 - 100000 31-97
Epigenetic regulator Writer DNA methyltransferase
- 30000 - - -
Ion channel Other ion channel Chloride channel Cystic fibrosis transmembrane conductance regulator
- - 40000 - -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 11000-57500 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
- - - 36000-36000 -
Secreted protein
- 7800 39811 - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group H Nuclear hormone receptor subfamily 1 group H member 3
- 22000 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 1
20-3920 10-6100 - 370 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 2
2-956 1-45900 - 24 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group B Nuclear hormone receptor subfamily 3 group B member 1
- 10 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group B Nuclear hormone receptor subfamily 3 group B member 2
- 395 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
- 85114 - - -
Transcription factor
2-956 10-6100 - 24 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC02 family of hexose and sugar alcohol transporters
- 20000 - 7000-7000 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- 3891 - 2960 -5-39
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- - 26303 - -
Transporter Primary active transporter ATP-binding cassette ABCG subfamily
- 6900-8800 - - -
Unclassified protein
- - - - 0-51

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Metabolic Syndrome 2 D024821 ClinicalTrials
Urinary Bladder Neoplasms 2 D001749 ClinicalTrials
Osteoporosis 2 D010024 ClinicalTrials
Urinary Bladder Neoplasms 2 D001749 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Coronary Disease 2 D003327 ClinicalTrials
Pulmonary Fibrosis 2 D011658 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Rectal Neoplasms 1 D012004 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Colonic Neoplasms 1 D003110 ClinicalTrials
Cystic Fibrosis 1 D003550 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 446-72-0
ChEBI 28088
ChEMBL CHEMBL44
DrugBank DB01645
EPA CompTox DTXSID5022308
FDA SRS DH2M523P0H
Human Metabolome Database HMDB0003217
Guide to Pharmacology 2826
KEGG C06563
PDB GEN
PharmGKB PA165109660
PubChem 5280961
SureChEMBL SCHEMBL19166
ZINC ZINC000018825330
CONTENTS