quercetin indications/contra

Stem definitionDrug idCAS RN
3514 117-39-5

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • quercetin
  • quercetine
  • quercetol
  • quertine
  • xanthaurine
A flavonol widely distributed in plants. It is an antioxidant, like many other phenolic heterocyclic compounds. Glycosylated forms include RUTIN and quercetrin.
  • Molecular weight: 302.24
  • Formula: C15H10O7
  • CLOGP: 1.50
  • LIPINSKI: 0
  • HAC: 7
  • HDO: 5
  • TPSA: 127.45
  • ALOGS: -3.06
  • ROTB: 1

Drug dosage:

None

Approvals:

None

FDA Adverse Event Reporting System

None

Pharmacologic Action:

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SourceCodeDescription
CHEBI has role CHEBI:35610 antineoplastic agent
MeSH PA D000975 Antioxidants
MeSH PA D020011 Protective Agents

Drug Use (View source of the data)

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DiseaseRelationSNOMED_IDDOID
Primary hyperoxaluria contraindication 17901006 DOID:2977
Kidney disease contraindication 90708001 DOID:2527
Anemia due to enzyme deficiency contraindication 111577008
Hb SS disease contraindication 127040003 DOID:10923
Hemochromatosis contraindication 399187006 DOID:2352

Acid dissociation constants calculated using MoKa v3.0.0

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Dissociation levelDissociation constantType (acidic/basic)
pKa1 6.4 acidic
pKa2 9.56 acidic
pKa3 11.29 acidic
pKa4 14.0 acidic
pKa5 14.0 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

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TargetClassPharosUniProtActionTypeActivity value
(-log[M]) 		Mechanism
action		Bioact sourceMoA source
Aromatase Enzyme IC50 7.92 CHEMBL
Focal adhesion kinase 1 Kinase IC50 5.92 CHEMBL
Casein kinase II subunit alpha Kinase Ki 5.93 CHEMBL
Lysine--tRNA ligase Enzyme IC50 4.70 CHEMBL
Receptor-type tyrosine-protein kinase FLT3 Kinase IC50 6.23 CHEMBL
Epidermal growth factor receptor Kinase IC50 6.05 CHEMBL
Prothrombin Enzyme Kd 7.41 CHEMBL
Adenosine receptor A3 GPCR Ki 4.52 CHEMBL
RAC-alpha serine/threonine-protein kinase Kinase IC50 5.27 CHEMBL
Carbonic anhydrase 2 Enzyme Ki 5.60 CHEMBL
Urokinase-type plasminogen activator Enzyme IC50 4.92 CHEMBL
Multidrug resistance protein 1 Transporter Kd 5.15 CHEMBL
Carbonic anhydrase 12 Enzyme Ki 5.03 CHEMBL
Phospholipase A2 Enzyme IC50 5.70 CHEMBL
Vascular endothelial growth factor receptor 2 Kinase IC50 6.55 CHEMBL
Proto-oncogene tyrosine-protein kinase Src Kinase IC50 6.92 CHEMBL
Alpha-amylase 1 Enzyme IC50 4.67 CHEMBL
Cyclin-dependent kinase 2 Kinase IC50 4.40 CHEMBL
Carbonic anhydrase 4 Enzyme Ki 5.10 CHEMBL
NADPH oxidase 4 Enzyme IC50 6.17 CHEMBL
Cyclin-dependent kinase 5/CDK5 activator 1 Kinase IC50 4.64 CHEMBL
Chymotrypsin C Enzyme IC50 4 CHEMBL
Cyclin-dependent kinase 4/cyclin D1 Kinase IC50 4.21 CHEMBL
Sorbitol dehydrogenase Enzyme IC50 4.45 CHEMBL
Cyclin-dependent kinase 1/cyclin B1 Kinase IC50 4.70 CHEMBL
Hypoxia-inducible factor 1-alpha inhibitor Unclassified IC50 4.99 CHEMBL
Hepatocyte growth factor receptor Kinase IC50 6.24 CHEMBL
Cyclin-dependent kinase 6 Kinase IC50 4.60 CHEMBL
Arachidonate 5-lipoxygenase Enzyme IC50 6.10 CHEMBL
Matrix metalloproteinase-9 Enzyme IC50 5.79 CHEMBL
Calcium/calmodulin-dependent protein kinase type II subunit beta Kinase IC50 5.52 CHEMBL
Bifunctional epoxide hydrolase 2 Enzyme IC50 4.47 CHEMBL
Multidrug resistance-associated protein 1 Transporter Ki 5.62 CHEMBL
Tyrosine-protein phosphatase non-receptor type 1 Enzyme IC50 4.63 CHEMBL
Amine oxidase [flavin-containing] A Enzyme IC50 5.55 CHEMBL
Acetylcholinesterase Enzyme Ki 4.42 CHEMBL
D(4) dopamine receptor GPCR Ki 5.11 CHEMBL
Phosphatidylinositol 3-kinase regulatory subunit alpha Kinase IC50 5.42 CHEMBL
Chymotrypsinogen B Enzyme IC50 4 CHEMBL
Serine/threonine-protein kinase PLK1 Kinase IC50 5.24 CHEMBL
NUAK family SNF1-like kinase 1 Kinase IC50 5.29 CHEMBL
Dipeptidyl peptidase 4 Enzyme IC50 4.49 CHEMBL
Amine oxidase [flavin-containing] B Enzyme IC50 4.05 CHEMBL
Prolyl endopeptidase Enzyme IC50 4.89 CHEMBL
Vasopressin V2 receptor GPCR IC50 5.20 CHEMBL
G-protein coupled receptor 35 GPCR IC50 4.81 CHEMBL
Prostaglandin G/H synthase 2 Enzyme IC50 4.54 CHEMBL
Beta-secretase 1 Enzyme Ki 4.85 CHEMBL
Calmodulin Cytosolic other IC50 4.89 CHEMBL
72 kDa type IV collagenase Enzyme IC50 5.18 CHEMBL
Myeloperoxidase Enzyme IC50 5.90 CHEMBL
Carbonic anhydrase 9 Enzyme Ki 5.15 CHEMBL
Stromelysin-1 Enzyme IC50 5.25 CHEMBL
Cyclin-dependent kinase 1 Kinase IC50 6.35 CHEMBL
Cytochrome P450 1B1 Enzyme IC50 7.11 CHEMBL
Lymphocyte differentiation antigen CD38 Enzyme IC50 4.42 CHEMBL
C-C chemokine receptor type 4 GPCR IC50 5 CHEMBL
Xanthine dehydrogenase/oxidase Enzyme IC50 5.58 CHEMBL
Arachidonate 12-lipoxygenase, 12S-type Enzyme IC50 6.36 CHEMBL
Serine/threonine-protein kinase pim-1 Kinase Kd 7.60 CHEMBL
Tyrosine-protein kinase Lck Kinase IC50 4.89 CHEMBL
Carbonic anhydrase 3 Enzyme Ki 5.09 CHEMBL
Tyrosine-protein kinase receptor UFO Kinase IC50 6.02 CHEMBL
Estradiol 17-beta-dehydrogenase 2 Enzyme IC50 5.81 CHEMBL
Arachidonate 15-lipoxygenase Enzyme IC50 5.66 CHEMBL
C-X-C chemokine receptor type 1 GPCR IC50 5.35 CHEMBL
Cyclin-dependent kinase 1/cyclin B Kinase IC50 4.12 CHEMBL
Carbonic anhydrase 5A, mitochondrial Enzyme Ki 5.17 CHEMBL
ATP-binding cassette sub-family G member 2 Transporter IC50 5.16 CHEMBL
ALK tyrosine kinase receptor Kinase IC50 5.48 CHEMBL
Carbonic anhydrase 14 Enzyme Ki 5.27 CHEMBL
Carbonic anhydrase 7 Enzyme Ki 5.32 CHEMBL
Carbonic anhydrase 1 Enzyme Ki 5.57 CHEMBL
Macrophage metalloelastase Enzyme IC50 4.99 CHEMBL
Insulin-like growth factor 1 receptor Kinase IC50 6.52 CHEMBL
Glycogen synthase kinase-3 beta Kinase IC50 5.70 CHEMBL
Cholinesterase Enzyme Ki 4.17 CHEMBL
Aurora kinase B Kinase IC50 6.04 CHEMBL
Carbonic anhydrase 5B, mitochondrial Enzyme Ki 4.92 CHEMBL
Serine/threonine-protein kinase Nek6 Kinase IC50 5.37 CHEMBL
Collagenase 3 Enzyme IC50 5.07 CHEMBL
Lactoylglutathione lyase Enzyme IC50 5.49 CHEMBL
Serine/threonine-protein kinase Nek2 Kinase IC50 5.24 CHEMBL
Serine/threonine-protein kinase N1 Kinase IC50 5.24 CHEMBL
Glycogen synthase kinase-3 Kinase IC50 5.68 CHEMBL
Carbonic anhydrase 6 Enzyme Ki 5.21 CHEMBL
Aldose reductase Enzyme IC50 7.83 CHEMBL
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform Kinase IC50 4.86 CHEMBL
Glycogen phosphorylase, liver form Enzyme IC50 5.32 CHEMBL
Tyrosine-protein kinase SYK Kinase IC50 4.70 CHEMBL
Death-associated protein kinase 1 Kinase IC50 5.05 CHEMBL
Aldose reductase Enzyme IC50 5.55 CHEMBL
Cell division protein kinase 5 Unclassified EC50 4.20 CHEMBL
Cationic trypsin Enzyme IC50 5.15 CHEMBL
Carbonic anhydrase 13 Enzyme Ki 5.04 CHEMBL
Arachidonate 15-lipoxygenase Enzyme IC50 6.37 CHEMBL
Beta-lactamase Enzyme IC50 5.40 CHEMBL
Aldose reductase Enzyme IC50 4.30 CHEMBL
Amine oxidase [flavin-containing] A Enzyme IC50 8 CHEMBL
Arachidonate 5-lipoxygenase Enzyme IC50 6.70 CHEMBL
Xanthine dehydrogenase/oxidase Enzyme Ki 5.92 CHEMBL
D-alanylalanine synthetase Unclassified IC50 4.70 CHEMBL
Sialidase Enzyme IC50 5.77 CHEMBL
Adenosine receptor A2a GPCR Ki 5.16 CHEMBL
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI Enzyme IC50 4.70 CHEMBL
Amine oxidase [flavin-containing] B Enzyme IC50 4.70 CHEMBL
Replicase polyprotein 1ab Enzyme IC50 5.09 CHEMBL
Aldo-keto reductase family 1 member C21 Enzyme Ki 4.96 CHEMBL
Adenosine receptor A1 GPCR Ki 5.61 CHEMBL
Aldose reductase Enzyme IC50 6 CHEMBL
Phosphodiesterase 2A Unclassified IC50 4.09 CHEMBL
Cytosol aminopeptidase Unclassified IC50 4.46 CHEMBL
Alcohol dehydrogenase [NADP(+)] Enzyme IC50 5.63 CHEMBL
Integrase Enzyme IC50 6.22 CHEMBL
Arginase Enzyme IC50 5.40 CHEMBL
D-alanine--D-alanine ligase Enzyme Ki 5.37 CHEMBL
5'-nucleotidase Enzyme Ki 7.34 CHEMBL
Polyphenol oxidase 2 Enzyme IC50 4.51 CHEMBL
Alcohol dehydrogenase [NADP(+)] Enzyme IC50 4.42 CHEMBL
Glutathione reductase Unclassified IC50 4.31 CHEMBL
Enoyl-acyl-carrier protein reductase Enzyme Ki 7.66 CHEMBL
3-oxoacyl-acyl-carrier protein reductase Enzyme IC50 5.27 CHEMBL
Beta-hydroxyacyl-ACP dehydratase; Fatty acid synthesis protein Enzyme IC50 5.82 CHEMBL
Malate dehydrogenase Enzyme IC50 5.22 CHEMBL
Nitric oxide synthase, inducible Enzyme IC50 4.79 CHEMBL
Neuraminidase Enzyme IC50 5.66 CHEMBL

External reference:

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IDSource
4030654 VUID
N0000182642 NUI
C0034392 UMLSCUI
5346 IUPHAR_LIGAND_ID
CHEMBL50 ChEMBL_ID
9060 RXNORM
52130006 SNOMEDCT_US
126144003 SNOMEDCT_US
N0000167022 NDFRT
4030654 VANDF
N0000182642 NDFRT
007403 NDDF
9IKM0I5T1E UNII
5280343 PUBCHEM_CID
CHEBI:16243 CHEBI
DB04216 DRUGBANK_ID
D011794 MESH_DESCRIPTOR_UI
QUE PDB_CHEM_ID

Pharmaceutical products:

None