General
Preferred name
TeGG
Synonyms
1,2,3,6-Tetra-O-galloyl-β-D-glucose ()
1,2,3,6-Tetragalloylglucose ()
P&D ID
PD120182
CAS
79886-50-3
Tags
available
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 1,2,3,6-Tetragalloylglucose (TEgG) is a competitive inhibitor of UDP-glucuronyltransferase UGT1A1, targeting the competitive substrate binding site of UGT1A1. 1,2,3,6-Tetragalloylglucose inhibits UGT1A1-mediated ¦Â-estradiol 3-glucuronidation and SN-38 glucuronidation with IC50 of 6.01 ¦ÌM and 4.31 ¦ÌM, respectively, and binds to UGT1A1 with Ki of 3.55 ¦ÌM. 1,2,3,6-Tetragalloylglucose also induces tumor cell apoptosis, inhibit cell proliferation, activates caspase-3 and induces DNA fragmentation in HL-60 cells. 1,2,3,6-Tetragalloylglucose also inhibits HIV integrase and reverse transcriptase, and inhibits HCV protease[1][2][3].
PRICE 835
DESCRIPTION 1,2,3,6-Tetragalloylglucose (TeGG) has antioxidative activity, it also shows the most potent anticomplement activity (IC50 = 34 microM). 1,2,3,6-Tetragalloylglucose is also a potent inhibitor of UDP glucuronosyltransferase 1 A1 (UGT1A1, Ki = 1.68 ??M).
DESCRIPTION 1,2,3,6-Tetragalloylglucose (TeGG) has antioxidative activity, it also shows the most potent anticomplement activity (IC50 = 34 microM). 1,2,3,6-Tetragalloylglucose is also a potent inhibitor of UDP glucuronosyltransferase 1 A1 (UGT1A1, Ki = 1.68 μM). (TargetMol Bioactive Compound Library)
Cell lines
0
Organisms
2
Compound Sets
2
MedChem Express Bioactive Compound Library
HY-111832
TargetMol Bioactive Compound Library
TN1160
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
788.11
Hydrogen Bond Acceptors
22
Hydrogen Bond Donors
13
Rotatable Bonds
9
Ring Count
5
Aromatic Ring Count
4
cLogP
0.7
TPSA
377.42
Fraction CSP3
0.18
Chiral centers
5.0
Largest ring
6.0
QED
0.06
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Metabolism
Metabolic Enzyme/Protease
Target
UGT
LDL
UGT1A1
Source data