General
Preferred name
QUERCETIN
Synonyms
ML061 Analog ()
2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4h-chromen-4-one ()
QUERCETIN DIHYDRATE ()
Sophoretin ()
Quercetine dihydrate ()
Quercetin (Sophoretin) ()
Flavonoid derivative 4 ()
Quercetin (dihydrate) ()
Quercetin (NSC 9221) ()
Sophoretin, C.I. 75720 ()
NSC-9219 ()
Meletin ()
C.I. Natural Red 1 ()
Quercetin (constituent of ginkgo) ()
NSC-57655 ()
LDN 0052529 ()
Korvitin ()
Ci-75670 ()
Lipoflavon ()
NSC 9219 ()
Quercetol ()
C.i. 75670 ()
Cyanidenolon 1522 ()
3'-hydroxykaempferol ()
LDN-0052529 ()
Xanthaurine ()
Corvitin ()
NSC 57655 ()
Quercetine ()
Quertine ()
Quertin ()
Quercetin (hydrate) ()
Quercetin-d3 (hydrate) ()
P&D ID
PD001643
CAS
117-39-5
6151-25-3
849061-97-8
Tags
obsolete probe
nuisance
natural product
drug
available
Drug indication
Obesity
Drug Status
experimental
investigational
approved
Max Phase
Phase 3
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Prototypical PI 3-kinase inhibitor; also inhibits other kinases (Tocris Bioactive Compound Library)
DESCRIPTION Mitochondrial ATPase and phosphodiesterase (PDE) inhibitor; inhibits PI3-K activity (LOPAC library)
DESCRIPTION Non-selective PI 3-kinase inhibitor (Tocriscreen Total)
Cell lines
52
Organisms
12
Compound Sets
30
AdooQ Bioactive Compound Library
A10766
A10765
Cayman Chemical Bioactives
10005169
26418
ChEMBL Drugs
CHEMBL50
Drug Repurposing Hub
DrugBank
DB04216
DrugCentral
3514
DrugCentral Approved Drugs
3514
DrugMAP
DM3NC4M
DMMOSVD
DrugMAP Approved Drugs
DM3NC4M
Enamine BioReference Compounds
Guide to Pharmacology
5346
IPPI - DB
1720
Ki Database
Quercetin
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL50
Mcule NIBR MoA Box Subset
MCULE-2433372790
MedChem Express Bioactive Compound Library
HY-18085
HY-N0146
MLSMR Probes +
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Nuisance compounds in cellular assays
Obsolete Compounds
quercetin
Other bioactive compounds
ReFrame library
Selleckchem Bioactive Compound Library
Quercetin(Sophoretin)
Quercetin-dihydrate(Sophoretin)
TargetMol Bioactive Compound Library
T2174
T6630
The Spectrum Collection
Tocris Bioactive Compound Library
1125
Tocriscreen Total
ZINC Tool Compounds
ZINC000003869685
External IDs
76
Properties
(calculated by RDKit )
Molecular Weight
302.04
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
5
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
3
cLogP
1.99
TPSA
131.36
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.43
Structural alerts
4
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Nonspecific/NOS
Nuisance compounds in cellular assays
historic compounds (Chemical Probes.org)
Obsolete
Related compounds
Custom attributes
(extracted from source data)
Classification
probe analog
Selectivity
PDE
Pathway
PI3K/Akt/mTOR signaling
Apoptosis
Autophagy
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
PI3K/Akt/mTOR
Target
PI3K??
ATP5A1, ATP5B, ATP5C1, HCK, HIBCH, PIK3CG, PIM1, STK17B, UGT3A1
Mitophagy
PI3K
Reactive Oxygen Species
Apoptosis related,Autophagy,Mitophagy,PI3K,PKC,Sirtuin,Src
PI3K,Sirtuin
Primary Target
PI 3-kinase
MOA
Inhibitor
polar auxin transport inhibitor
Member status
virtual
Indication
fatigue, allergic rhinitis, drowsiness
Disease Area
neurology/psychiatry, allergy
Therapeutic Class
Hypoglycemic Agents
Source data