General
Preferred name
PD094025
Synonyms
1-METHYLXANTHINE ()
1-Methylxanthine ()
P&D ID
PD094025
CAS
6136-37-4
Tags
available
drug candidate
Drug indication
Discovery agent
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
6
Cayman Chemical Bioactives
DrugMAP
Enamine BioReference Compounds
Ki Database
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
35
Properties
(calculated by RDKit )
Molecular Weight
166.05
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
2
cLogP
-1.05
TPSA
83.54
Fraction CSP3
0.17
Chiral centers
0.0
Largest ring
6.0
QED
0.52
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
