General
Preferred name
Potassium 1H-indol-3-yl sulfate
Synonyms
Indoxyl sulfate potassium salt ()
Potassium 3-indoxyl sulfate ()
Indoxyl Sulfate (potassium salt) ()
P&D ID
PD018125
CAS
2642-37-7
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 Potassium 1H-indol-3-yl sulfate is an endogenous metabolite.
PRICE 34
DESCRIPTION Potassium 1H-indol-3-yl sulfate (Potassium 3-indoxyl sulfate) is an agonist for the human Aryl Hydrocarbon Receptor (AhR), a key regulator of immune-inflammatory conditions. A metabolite of tryptophan derived from dietary protein, it is produced by intestinal bacteria and metabolized in the liver. In chronic kidney disease patients with impaired renal function, it accumulates in serum as a uremic toxin, inducing oxidative stress and accelerating disease progression. At 250 ??M, it activates NF-??b, promoting TGF-??1 and Smad3 expression in rat proximal tubular cells, which is associated with profibrotic activity.
DESCRIPTION Potassium 1H-indol-3-yl sulfate (Potassium 3-indoxyl sulfate) is an agonist for the human Aryl Hydrocarbon Receptor (AhR), a key regulator of immune-inflammatory conditions. A metabolite of tryptophan derived from dietary protein, it is produced by intestinal bacteria and metabolized in the liver. In chronic kidney disease patients with impaired renal function, it accumulates in serum as a uremic toxin, inducing oxidative stress and accelerating disease progression. At 250 μM, it activates NF-Κb, promoting TGF-β1 and Smad3 expression in rat proximal tubular cells, which is associated with profibrotic activity. (TargetMol Bioactive Compound Library)
Compound Sets
4
Cayman Chemical Bioactives
16926
EU-OPENSCREEN Bioactive Compound Library
EOS101989
MedChem Express Bioactive Compound Library
HY-W011910
TargetMol Bioactive Compound Library
T4938
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
250.97
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
2
cLogP
-1.99
TPSA
82.22
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.38
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
AHR
Endogenous Metabolite
MOA
AhR
Pathway
Immunology/Inflammation
Metabolism
Metabolic Enzyme/Protease
Source data