General
Preferred name
PD015381
Synonyms
3,7-Dimethyl-1-propargylxanthine ()
P&D ID
PD015381
CAS
14114-46-6
Tags
natural product
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
A2 adenosine receptor antagonist.
(LOPAC library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
1
LOPAC library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Molecular Weight
218.08
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
2
cLogP
-0.93
TPSA
61.82
Fraction CSP3
0.3
Chiral centers
0.0
Largest ring
6.0
QED
0.58
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
A2
Source data
