General
Preferred name
Epigallocatechin gallate
Synonyms
epigallocatechin-3-monogallate ()
Epigallocatechol Gallate ()
EGCG ()
(-)-Epigallocatechin Gallate ()
PMID26394986-Compound-44 ()
PMID26560530-Compound-26 ()
epigallocatechin-3-gallate ()
Epigallocatechin gallate989-51-5 ()
Epigallocatechin-3-gallate (ECGC) ()
(?)-Epigallocatechin Gallate-d3/d4 ()
EPIGALOCATECHIN GALLATE ()
P&D ID
PD002148
CAS
989-51-5
863-65-0
Tags
natural product
drug candidate
nuisance
obsolete probe
available
Drug indication
Hepatic fibrosis
Drug Status
investigational
Max Phase
3.0
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Epigallocatechin-3-gallate (EGCG) is one of the catechins that are found in green tea. It had been ascribed activity as a histone acetyltransferase (HAT) inhibitor. However, a 2017 article by Dahlin et al. suggests that the thiol-reactivity of EGCG brings in to question its activity as a HAT inhibitor . Amongst the plethora of health benefits attributed to the catechins, EGCG has demonstrated broad-spectrum antiviral activity .
SARS-CoV-2 and COVID-19: In relation to SARS-CoV-2, molecular docking analysis suggests that EGCG interacts with the virus' S protein and main protease (Mpro; 3CLpro) . Evidence also suggests that catechins bind to the S1 ubiquitin-binding site of the virus' second protease PLPro. It is hypothesised that inhibiting PLPro will reduce the enzyme's inhibitory function on the host ubiquitin proteasome and interferon stimulated gene systems, thus targeting some of the inflammatory aspects of SARS-CoV-2 infection. (GtoPdb)
SARS-CoV-2 and COVID-19: In relation to SARS-CoV-2, molecular docking analysis suggests that EGCG interacts with the virus' S protein and main protease (Mpro; 3CLpro) . Evidence also suggests that catechins bind to the S1 ubiquitin-binding site of the virus' second protease PLPro. It is hypothesised that inhibiting PLPro will reduce the enzyme's inhibitory function on the host ubiquitin proteasome and interferon stimulated gene systems, thus targeting some of the inflammatory aspects of SARS-CoV-2 infection. (GtoPdb)
DESCRIPTION
natural product
(Informer Set)
DESCRIPTION
Potent and selective PDE4 inhibitor
(Tocris Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
27
Organisms
10
Compound Sets
20
AdooQ Bioactive Compound Library
ChEMBL Drugs
Concise Guide to Pharmacology 2023/24
Drug Repurposing Hub
DrugBank
Guide to Pharmacology
Informer Set
LINCS compound set
MedChem Express Bioactive Compound Library
NIH Clinical Collections (NCC)
Nuisance compounds in cellular assays
Obsolete Compounds
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
Tocris Bioactive Compound Library
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
59
Molecular Weight
458.08
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
8
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
3
cLogP
2.23
TPSA
197.37
Fraction CSP3
0.14
Chiral centers
2.0
Largest ring
6.0
QED
0.21
Structural alerts
2
historic compounds (Chemical Probes.org)
Obsolete
Nonspecific reactivity
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Compound status
probe
Pathway
NF-¦ÊB
Autophagy
Apoptosis
Metabolic Enzyme/Protease
Primary Target
Other Proteases
MOA
Inhibitor
bacterial DNA gyrase inhibitor
Target
ELANE, EP300, FASN, KAT2B, MMP14, MMP2
Endogenous Metabolite
DNA Methyltransferase,EGFR,Fatty Acid Synthase,HER2,Telomerase
Source data
