quercetin 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

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

ADMET properties:

PropertyValueReference
Vd (Volume of distribution) 0.12 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 11 mL/min/kg Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma) 0.01 % Lombardo F, Berellini G, Obach RS
t_half (Half-life) 0.60 hours Lombardo F, Berellini G, Obach RS
BA (Bioavailability) 0.50 %

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 2.466 Moderate 0.78
caco2-efflux Caco-2 efflux ratio (BA/AB) 10 Moderate 0.78
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 9.638 10^-6 cm/s Moderate 0.78
dh-clint Dog hepatocyte intrinsic clearance 92.897 uL/min/10^6 cells Moderate 0.78
dppb Dog plasma protein binding (% unbound) 2.130 % Moderate 0.78
fcs-ppb Fetal calf serum protein binding (% unbound) 0.690 % Moderate 0.78
herg hERG pIC50 4.273 pIC50 Moderate 0.78
hh-clint Human hepatocyte intrinsic clearance 322.107 uL/min/10^6 cells Moderate 0.78
hlm-clint Human liver microsomal intrinsic clearance 29.785 uL/min/mg protein Moderate 0.78
hppb Human plasma protein binding (% unbound) 0.650 % Moderate 0.78
kinase-safety-class AAK1,ACVR1B,ACVR2A,ACVR2B,ACVRL1,AKT3,ALK,AURKA,AURKB,AURKC,AXL,BLK,BMX,BRAF,BTK,CAMK2A,CAMK2B,CAMK2D,CAMK2G,CDK1,CDK14,CDK16,CDK19,CDK2,CDK3,CDK4,CDK5,CDK7,CDK9,CHUK,CLK4,CSF1R,CSNK1A1L,CSNK1D,CSNK1E,CSNK1G1,CSNK1G2,CSNK1G3,CSNK2A1,CSNK2A3,DDR1,DYRK1B,DYRK3,EGFR,EIF2AK3,EPHA2,EPHB3,EPHB4,ERBB2,FGFR1,FGFR4,FLT1,FLT3,FLT4,FYN,GRK2,GRK3,GSK3A,GSK3B,HASPIN,IGF1R,IKBKB,INSR,INSRR,IRAK1,IRAK3,ITK,JAK1,JAK2,JAK3,KDR,KIT,LCK,LYN,MAP2K4,MAP2K6,MAP3K1,MAP3K10,MAP3K11,MAP3K14,MAP3K2,MAP3K21,MAP3K3,MAP3K7,MAP3K8,MAP4K1,MAP4K2,MAP4K3,MAP4K5,MAPK1,MAPK10,MAPK12,MAPK14,MAPK7,MAPK8,MAPK9,MAPKAPK2,MARK2,MARK4,MELK,MET,MINK1,MTOR,NTRK1,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM1,PIM2,PIM3,PRKAA1,PRKCD,PRKDC,PTK2,PTK6,RET,SGK1,SIK2,SIK3,SRC,STK10,STK17A,STK33,SYK,TBK1,TEK,TGFBR1,TNIK,TTK,TYRO3,UHMK1,ULK1,ULK2,YES1,ZAP70 142
kinase-selectivity-class AAK1,ACVR1B,ACVR2A,ACVR2B,ACVRL1,ALK,AURKA,AURKB,AURKC,AXL,BLK,BMX,BRAF,CAMK2A,CAMK2B,CAMK2D,CDK1,CDK16,CDK2,CDK3,CDK4,CDK6,CDK7,CDK9,CHEK1,CLK2,CLK4,CSF1R,CSNK2A2,DDR1,DYRK1B,DYRK2,DYRK3,EIF2AK3,EPHB4,ERBB2,FGFR1,FGFR4,FLT1,FLT3,FLT4,FYN,GRK2,GSK3A,GSK3B,HASPIN,HIPK2,INSR,IRAK1,IRAK3,JAK1,JAK2,JAK3,KDR,KIT,MAP2K3,MAP2K4,MAP2K6,MAP3K10,MAP3K11,MAP3K14,MAP3K2,MAP3K21,MAP3K7,MAP3K9,MAP4K1,MAP4K3,MAP4K5,MAPK1,MAPK10,MAPK12,MAPK7,MAPK8,MARK1,MARK2,MARK3,MARK4,MELK,MINK1,MKNK2,MTOR,NTRK1,PDGFRB,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM3,PLK1,PLK2,PLK3,PLK4,PRKAA1,PRKAA2,PRKCD,PRKCZ,PRKDC,PTK2,RET,RIPK1,RIPK3,SGK1,SIK2,SIK3,SRC,STK10,STK16,STK17A,STK33,SYK,TEK,TGFBR1,TNIK,TTK,TYRO3,ULK1,ULK2,YES1,ZAP70 120
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 41.305 Moderate 0.78
mh-clint Mouse hepatocyte intrinsic clearance 343.558 Moderate 0.78
mppb Mouse plasma protein binding (% unbound) 2.490 Moderate 0.78
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 3.373 Moderate 0.78
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 6.060 % Moderate 0.78
rh-clint Rat hepatocyte intrinsic clearance 279.898 uL/min/10^6 cells Moderate 0.78
rh-fuinc Rat hepatocyte fraction unbound in incubation 58.940 % Moderate 0.78
rppb Rat plasma protein binding (% unbound) 0.920 % Moderate 0.78
solubility-dd Solubility at pH 7.4 in DMSO 0.776 uM Moderate 0.78

Approvals:

None

FDA Adverse Event Reporting System (Female)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Drug ineffective for unapproved indication 58.24 33.15 20 545 66624 90561258

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
MeSH PA D000975 Antioxidants
MeSH PA D020011 Protective Agents
CHEBI has role CHEBI:22586 antioxidant
CHEBI has role CHEBI:22587 antiviral agent
CHEBI has role CHEBI:33282 antibacterial agent
CHEBI has role CHEBI:35526 hypoglycemic agent
CHEBI has role CHEBI:35554 cardiovascular drug
CHEBI has role CHEBI:35610 antineoplastic agent
CHEBI has role CHEBI:37699 protein kinase inhibitor
CHEBI has role CHEBI:38161 chelator
CHEBI has role CHEBI:48578 radical scavenger
CHEBI has role CHEBI:66981 ophthalmology drug
CHEBI has role CHEBI:67079 anti-inflammatory agent
CHEBI has role CHEBI:70770 Aurora kinase inhibitor
CHEBI has role CHEBI:74518 anti-obesity agent
CHEBI has role CHEBI:75835 anti-anaemic agent
CHEBI has role CHEBI:76924 plant metabolite
CHEBI has role CHEBI:76989 phytoestrogen
CHEBI has role CHEBI:77020 EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor
CHEBI has role CHEBI:176497 geroprotector
CHEBI has role CHEBI:233423 antifibrotic agent

Drug Use | Suggest Off label Use Form| |View source of the data|

DiseaseRelationSNOMED_IDDOID
Primary hyperoxaluria contraindication 17901006 DOID:2977
Kidney disease contraindication 90708001 DOID:557
Anemia due to enzyme deficiency contraindication 111577008
Hb SS disease contraindication 127040003 DOID:10923
Hemochromatosis contraindication 399187006 DOID:2352




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

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:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])		Mechanism
action		Bioact sourceMoA source
Myeloperoxidase Enzyme IC50 5.90 CHEMBL
Prostaglandin G/H synthase 2 Enzyme IC50 4.54 CHEMBL
Urokinase-type plasminogen activator Enzyme IC50 4.92 CHEMBL
Multidrug resistance protein 1 Transporter Kd 5.15 CHEMBL
Adenosine receptor A3 GPCR Ki 4.52 CHEMBL
D(4) dopamine receptor GPCR Ki 5.11 CHEMBL
Carbonic anhydrase 2 Enzyme Ki 5.60 CHEMBL
Multidrug resistance-associated protein 1 Transporter Ki 5.62 CHEMBL
ATP-binding cassette sub-family G member 2 Transporter IC50 5.16 CHEMBL
Carbonic anhydrase 1 Enzyme Ki 5.57 CHEMBL
Proto-oncogene tyrosine-protein kinase receptor Ret Kinase IC50 4.11 CHEMBL
Vascular endothelial growth factor receptor 2 Kinase IC50 6.55 CHEMBL
Dipeptidyl peptidase 4 Enzyme IC50 4.49 CHEMBL
Cytochrome P450 2C8 Enzyme IC50 5.46 CHEMBL
Calmodulin Cytosolic other IC50 4.89 CHEMBL
Carbonic anhydrase 4 Enzyme Ki 5.10 CHEMBL
Acetylcholinesterase Enzyme Ki 4.42 CHEMBL
Amine oxidase [flavin-containing] B Enzyme IC50 4.05 CHEMBL
Cholinesterase Enzyme Ki 4.17 CHEMBL
Xanthine dehydrogenase/oxidase Enzyme IC50 5.58 CHEMBL
Amine oxidase [flavin-containing] A Enzyme IC50 5.55 CHEMBL
Aldose reductase Enzyme IC50 7.83 CHEMBL
Carbonic anhydrase 9 Enzyme Ki 5.15 CHEMBL
Aromatase Enzyme IC50 7.92 CHEMBL
Carbonic anhydrase 12 Enzyme Ki 5.03 CHEMBL
Arachidonate 5-lipoxygenase Enzyme IC50 6.10 CHEMBL
Prothrombin Enzyme Kd 7.41 CHEMBL
Epidermal growth factor receptor Kinase IC50 6.05 CHEMBL
Vasopressin V2 receptor GPCR IC50 5.20 CHEMBL
Peroxisome proliferator-activated receptor gamma Nuclear hormone receptor IC50 4.58 CHEMBL
Carbonic anhydrase 5A, mitochondrial Enzyme Ki 5.17 CHEMBL
Carbonic anhydrase 5B, mitochondrial Enzyme Ki 4.92 CHEMBL
Carbonic anhydrase 7 Enzyme Ki 5.32 CHEMBL
Tyrosine-protein phosphatase non-receptor type 1 Enzyme IC50 4.63 CHEMBL
Tyrosinase Enzyme IC50 4.35 CHEMBL
Pancreatic triacylglycerol lipase Enzyme IC50 5.82 CHEMBL
Maltase-glucoamylase, intestinal Enzyme IC50 4.97 CHEMBL
Proto-oncogene tyrosine-protein kinase Src Kinase IC50 6.92 CHEMBL
Tyrosine-protein kinase Lck Kinase IC50 4.89 CHEMBL
Tyrosine-protein kinase Yes Kinase Ki 6.33 CHEMBL
Serine/threonine-protein kinase B-raf Kinase IC50 5.12 CHEMBL
Receptor-type tyrosine-protein kinase FLT3 Kinase IC50 6.23 CHEMBL
Aurora kinase B Kinase IC50 6.04 CHEMBL
72 kDa type IV collagenase Enzyme IC50 5.18 CHEMBL
Cyclin-dependent kinase 1 Kinase IC50 6.35 CHEMBL
Cyclin-dependent kinase 2 Kinase IC50 4.40 CHEMBL
Serine/threonine-protein kinase pim-1 Kinase Kd 7.60 CHEMBL
Insulin-like growth factor 1 receptor Kinase IC50 6.52 CHEMBL
Lactoylglutathione lyase Enzyme IC50 5.49 CHEMBL
Alpha-amylase 1 Enzyme IC50 4.67 CHEMBL
Histone deacetylase 6 Enzyme IC50 6.09 CHEMBL
Neutrophil elastase Enzyme Ki 4.92 CHEMBL
Focal adhesion kinase 1 Kinase IC50 5.92 CHEMBL
Arachidonate 15-lipoxygenase Enzyme IC50 5.66 CHEMBL
Carbonic anhydrase 3 Enzyme Ki 5.09 CHEMBL
Stromelysin-1 Enzyme IC50 5.25 CHEMBL
Serine/threonine-protein kinase PLK1 Kinase IC50 5.24 CHEMBL
Carbonic anhydrase 6 Enzyme Ki 5.21 CHEMBL
Estradiol 17-beta-dehydrogenase 2 Enzyme IC50 5.81 CHEMBL
Tyrosine-protein kinase SYK Kinase IC50 4.70 CHEMBL
Prolyl endopeptidase Enzyme IC50 4.89 CHEMBL
Arachidonate 12-lipoxygenase, 12S-type Enzyme IC50 6.36 CHEMBL
Hepatocyte growth factor receptor Kinase IC50 6.24 CHEMBL
Serine/threonine-protein kinase Nek2 Kinase IC50 5.24 CHEMBL
Carbonic anhydrase 14 Enzyme Ki 5.27 CHEMBL
Calcium/calmodulin-dependent protein kinase type II subunit beta Kinase IC50 5.52 CHEMBL
Matrix metalloproteinase-9 Enzyme IC50 5.79 CHEMBL
Serine/threonine-protein kinase N1 Kinase IC50 5.24 CHEMBL
Interstitial collagenase Enzyme Kd 4.29 CHEMBL
Phospholipase A2 Enzyme IC50 5.70 CHEMBL
ALK tyrosine kinase receptor Kinase IC50 5.48 CHEMBL
RAC-alpha serine/threonine-protein kinase Kinase IC50 5.27 CHEMBL
Macrophage metalloelastase Enzyme IC50 4.99 CHEMBL
Collagenase 3 Enzyme IC50 5.07 CHEMBL
Chymotrypsinogen B Enzyme IC50 4 CHEMBL
Death-associated protein kinase 1 Kinase IC50 5.05 CHEMBL
Beta-secretase 1 Enzyme Ki 4.85 CHEMBL
Glycogen synthase kinase-3 beta Kinase IC50 5.70 CHEMBL
Cystic fibrosis transmembrane conductance regulator Ion channel Kd 4.59 CHEMBL
Bifunctional epoxide hydrolase 2 Enzyme IC50 4.47 CHEMBL
Glycogen phosphorylase, liver form Enzyme IC50 5.32 CHEMBL
Lysine--tRNA ligase Enzyme IC50 4.70 CHEMBL
C-C chemokine receptor type 4 GPCR IC50 5 CHEMBL
Cyclin-dependent kinase 6 Kinase IC50 4.60 CHEMBL
Aldo-keto reductase family 1 member B10 Enzyme IC50 5.72 CHEMBL
Tyrosine-protein kinase receptor UFO Kinase IC50 6.02 CHEMBL
C-X-C chemokine receptor type 1 GPCR IC50 5.35 CHEMBL
Casein kinase II subunit alpha Kinase Ki 5.93 CHEMBL
NUAK family SNF1-like kinase 1 Kinase IC50 5.29 CHEMBL
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform Kinase IC50 4.86 CHEMBL
G-protein coupled receptor 35 GPCR IC50 4.81 CHEMBL
Proteasome subunit beta type-5 Enzyme IC50 5.70 CHEMBL
Cytochrome P450 1B1 Enzyme IC50 7.11 CHEMBL
Phosphatidylinositol 3-kinase regulatory subunit alpha Kinase IC50 5.42 CHEMBL
NADPH oxidase 4 Enzyme IC50 6.17 CHEMBL
Lysine-specific histone demethylase 1A Enzyme IC50 5.90 CHEMBL
Serine/threonine-protein kinase Nek6 Kinase IC50 5.37 CHEMBL
Cyclin-dependent kinase 1/cyclin B1 Kinase IC50 4.70 CHEMBL
Cyclin-dependent kinase 5/CDK5 activator 1 Kinase IC50 4.64 CHEMBL
Cyclin-dependent kinase 1/cyclin B Kinase IC50 4.12 CHEMBL
Cyclin-dependent kinase 4/cyclin D1 Kinase IC50 4.21 CHEMBL
Glycogen synthase kinase-3 Kinase IC50 5.68 CHEMBL
Short transient receptor potential channel 5 Ion channel IC50 5.19 CHEMBL
Sorbitol dehydrogenase Enzyme IC50 4.45 CHEMBL
Chymotrypsin C Enzyme IC50 4 CHEMBL
Hypoxia-inducible factor 1-alpha inhibitor Enzyme IC50 4.99 CHEMBL
Lymphocyte differentiation antigen CD38 Tumour-associated antigen IC50 4.42 CHEMBL
Amyloid beta A4 protein Membrane other IC50 5.10 CHEMBL
Solute carrier organic anion transporter family member 2B1 Transporter IC50 5.14 CHEMBL
Cytochrome P450 1A1 Enzyme EC50 5.06 CHEMBL
Solute carrier family 2, facilitated glucose transporter member 2 Transporter IC50 4.92 CHEMBL
ELAV-like protein 3 Cytosolic other IC50 5.75 CHEMBL
ELAV-like protein 1 Cytosolic other IC50 5.85 CHEMBL
Alpha-ketoglutarate-dependent dioxygenase FTO Enzyme IC50 5.02 CHEMBL
DNA polymerase eta Enzyme IC50 4.80 CHEMBL
Alpha-synuclein Transporter IC50 4.70 CHEMBL
Inositol polyphosphate multikinase Kinase IC50 5.64 CHEMBL
Inositol hexakisphosphate kinase 2 Kinase IC50 6.16 CHEMBL
Alpha-amylase 1A Enzyme IC50 4.67 CHEMBL
NAD-dependent protein deacetylase sirtuin-6 Enzyme IC50 5.72 CHEMBL
Beta-lactamase Enzyme IC50 5.40 CHEMBL
Alcohol dehydrogenase [NADP(+)] Enzyme IC50 4.42 CHEMBL
Aldose reductase Enzyme IC50 4.30 CHEMBL
Cationic trypsin Enzyme IC50 5.15 CHEMBL
Xanthine dehydrogenase/oxidase Enzyme Ki 5.92 CHEMBL
Aldose reductase Enzyme IC50 6 CHEMBL
Arachidonate 15-lipoxygenase Enzyme IC50 6.37 CHEMBL
Integrase Enzyme IC50 6.22 CHEMBL
Carbonic anhydrase 13 Enzyme Ki 5.04 CHEMBL
Aldose reductase Enzyme IC50 5.55 CHEMBL
Adenosine receptor A1 GPCR Ki 5.61 CHEMBL
Alcohol dehydrogenase [NADP(+)] Enzyme IC50 5.63 CHEMBL
Neuraminidase Enzyme IC50 5.11 CHEMBL
Arachidonate 5-lipoxygenase Enzyme IC50 6.70 CHEMBL
Adenosine receptor A2a GPCR Ki 5.16 CHEMBL
Beta-lactamase Enzyme IC50 4.07 CHEMBL
Amine oxidase [flavin-containing] A Enzyme IC50 8 CHEMBL
Amine oxidase [flavin-containing] B Enzyme IC50 4.70 CHEMBL
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI Enzyme IC50 4.70 CHEMBL
Enoyl-acyl-carrier protein reductase Enzyme Ki 7.66 CHEMBL
Polyphenol oxidase 2 Enzyme IC50 4.51 CHEMBL
Aldo-keto reductase family 1 member C21 Enzyme Ki 4.96 CHEMBL
Neuraminidase Enzyme IC50 5.66 CHEMBL
Sialidase Enzyme IC50 5.77 CHEMBL
Malate dehydrogenase Enzyme IC50 5.22 CHEMBL
5'-nucleotidase Enzyme Ki 7.34 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
Replicase polyprotein 1ab Enzyme IC50 5.09 CHEMBL
Lactoperoxidase Enzyme IC50 5.21 CHEMBL
D-alanine--D-alanine ligase Enzyme Ki 5.37 CHEMBL
Arginase Enzyme IC50 5.40 CHEMBL
Nitric oxide synthase, inducible Enzyme IC50 4.79 CHEMBL
Cell division protein kinase 5 Kinase EC50 4.20 CHEMBL
D-alanylalanine synthetase Enzyme IC50 4.70 CHEMBL
Phosphodiesterase 2A Enzyme IC50 4.09 CHEMBL
Cytosol aminopeptidase Enzyme IC50 4.46 CHEMBL
Glutathione reductase Enzyme IC50 4.31 CHEMBL
Replicase polyprotein 1ab Enzyme IC50 5.16 CHEMBL
Spike glycoprotein Glycoprotein IC50 4.08 CHEMBL
Solute carrier family 2, facilitated glucose transporter member 4 Transporter Ki 4.80 CHEMBL
Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 Enzyme IC50 5.05 CHEMBL
NACHT, LRR and PYD domains-containing protein 3 Cytosolic other IC50 4.43 CHEMBL

External reference:

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

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
JinXianLian Hepato-Enzyme Regulating Agent HUMAN OTC DRUG LABEL 4 87650-002 EXTRACT 515 mg ORAL unapproved drug other 11 sections