General
Preferred name
PD017899
Synonyms
1,3,7-Trimethyluric Acid ()
1,3,7-Trimethyluric Acid-d9 ()
P&D ID
PD017899
CAS
5415-44-1
117490-42-3
Tags
available
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
1,3,7-Trimethyluric acid is the metabolite of caffeine. The metabolic ratio 1,3,7-Trimethyluric acid to caffeine can be evaluated as a biomarker to describe variability in CYP3A activity in a cohort[1].
PRICE
29
DESCRIPTION
1,3,7-Trimethyluric acid, a purine alkaloid, occurs as a minor metabolite of caffeine in humans. It functions as an antioxidant with the ability to scavenge hydroxyl radicals and offers protective benefits against lipid peroxidation in erythrocyte membranes.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
34
Molecular Weight
210.08
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
2
cLogP
-1.74
TPSA
81.79
Fraction CSP3
0.38
Chiral centers
0.0
Largest ring
6.0
QED
0.56
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Drug Metabolite
Endogenous Metabolite
Source data
