General
Preferred name
PARAXANTHINE
Synonyms
1,7-Dimethylxanthine ()
1, 7-dimethylxanthine ()
Paraxanthine ()
NSC-400018 ()
Paraxanthine(72%) ()
Paraxanthine-d6 ()
P&D ID
PD000073
CAS
611-59-6
117490-41-2
Tags
available
drug candidate
Drug Status
investigational
Max Phase
0.5
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
Paraxanthine, a caffeine metabolite, provides protection against Dopaminergic cell death via stimulation of Ryanodine Receptor Channels.
PRICE
29
DESCRIPTION
Paraxanthine (1,7-dimethylxanthine) is a metabolite of caffeine (sc-202514) which functions as an adenosine receptor ligand and a PARP-1 inhibitor in pulmonary epithelial cells. Studies suggest that Paraxanthine is structurally similar to caffeine and possibly mediates the physiological effects of caffeine. Also Paraxanthine acts as a competitive phosphodiesterase inhibitor, which increases intracellular cAMP, activates PKA, inhibits TNF-?? and leukotriene synthesis. In addition, Paraxanthine acts as a Na+/K+ ATPase enzymatic effector.
DESCRIPTION
Adenosine receptor ligand; major metabolite of caffeine
(LOPAC library)
DESCRIPTION
Paraxanthine is an inhibitor of phosphodiesterase 9 (PDE9) and an antagonist of adenosine receptors A1 and A2. It is the main metabolite of caffeine in humans.
(Enamine Bioactive Compounds)
DESCRIPTION
Paraxanthine (1,7-dimethylxanthine) is a metabolite of caffeine (sc-202514) which functions as an adenosine receptor ligand and a PARP-1 inhibitor in pulmonary epithelial cells. Studies suggest that Paraxanthine is structurally similar to caffeine and possibly mediates the physiological effects of caffeine. Also Paraxanthine acts as a competitive phosphodiesterase inhibitor, which increases intracellular cAMP, activates PKA, inhibits TNF-α and leukotriene synthesis. In addition, Paraxanthine acts as a Na+/K+ ATPase enzymatic effector.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
11
ChEMBL Drugs
Drug Repurposing Hub
Enamine Bioactive Compounds
Enamine BioReference Compounds
Ki Database
LOPAC library
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
42
Molecular Weight
180.06
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
2
cLogP
-1.04
TPSA
72.68
Fraction CSP3
0.29
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)
Selectivity
A1 > A2
Target
Endogenous Metabolite
Human Endogenous Metabolite
Drug Metabolite
Dopamine Receptor
MOA
Adenosine Receptor antagonist
Pathway
Metabolism
Metabolic Enzyme/Protease
Source data
