General
Preferred name
ACEFYLLINE
Synonyms
Theophylline-7-acetic acid ()
Carboxymethyltheophylline ()
acetyloxytheophylline ()
Theophyllineacetic acid ()
Acefylline, acetyloxytheophylline, Carboxymethyltheophylline ()
ACEFYLLINE PIPERAZINE ()
Acephylline ()
Caffeine carboxylic acid ()
NSC-52996 ()
Doxophylline metabolite m2 ()
Epicophylline ()
Dynaphylline ()
Etafillina ()
Acefylline compd with piperazine ()
Etophylate ()
Etaphylline ()
Acefilina piperazina ()
P&D ID
PD000487
CAS
18833-13-1
652-37-9
Tags
available
drug
drug candidate
Drug Status
approved
experimental
investigational
Max Phase
2.0
Drug indication
Airway obstruction
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
Acefylline, a xanthine derivative, is an adenosine receptor antagonist. Acefylline is a peptidylarginine deiminase (PAD) activator. Acefylline is also a bronchodilator and cardiac stimulant that inhibits rat lung cAMP phosphodiesterase isoenzymes. Acefylline can be used in asthma research[1][2][3].
PRICE
29
DESCRIPTION
Acefylline (Theophylline-7-acetic acid), a stimulant drug of the xanthine chemical class, acts as an adenosine receptor antagonist. It is combined with diphenhydramine in the pharmaceutical preparation Etanautine to help offset its stimulant effects
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
13
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugCentral
DrugCentral Approved Drugs
Enamine BioReference Compounds
MedChem Express Bioactive Compound Library
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
38
Molecular Weight
238.07
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
2
cLogP
-1.48
TPSA
99.12
Fraction CSP3
0.33
Chiral centers
0.0
Largest ring
6.0
QED
0.69
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
A1
A2
A3
Adenosine Receptor
HDAC2
PDE4
phosphodiesterase
PKA
Protein Arginine Deiminase
TNF-α
ADORA1
HDAC
Phosphodiesterase (PDE)
Indication
asthma
MOA
Adenosine Receptor agonist
Pathway
Apoptosis
Chromatin/Epigenetic
DNA Damage/DNA Repair
GPCR/G protein
Metabolism
Neuroscience
Tyrosine Kinase/Adaptors
Cell Cycle/DNA Damage
Epigenetics
Metabolic Enzyme/Protease
Source data
