General
Preferred name
XANTHINE
Synonyms
2,6-Dihydroxypurine ()
Isoxanthine ()
xanthine, Isoxanthine ()
P&D ID
PD008524
CAS
69-89-6
16819-86-6
Tags
drug candidate
natural product
available
Drug indication
Apnea
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Compound Sets
13
Cayman Chemical Bioactives
31499
Concise Guide to Pharmacology 2017/18
4557
Concise Guide to Pharmacology 2019/20
4557
Concise Guide to Pharmacology 2021/22
4557
Concise Guide to Pharmacology 2023/24
4557
DrugBank
DB02134
DrugMAP
DMFBOQ7
Guide to Pharmacology
4557
Ki Database
Xanthine
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL1424
MedChem Express Bioactive Compound Library
HY-W017389
Selleckchem Bioactive Compound Library
2-6-dihydroxypurine
TargetMol Bioactive Compound Library
T0665
External IDs
42
Properties
(calculated by RDKit )
Molecular Weight
152.03
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
2
cLogP
-1.06
TPSA
94.4
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.45
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Neuroscience
Metabolic Enzyme/Protease
Target
Adenosine Receptor
Endogenous Metabolite
MOA
AChR
Source data