General
Preferred name
THEOPHYLLINE
Synonyms
OXTRIPHYLLINE ()
Aminophylline ethylenediamine ()
Theophylline (1,3-dimethylxanthine) ()
Phyllocontin ()
Quibron ()
AMINOPHYLLINE ()
Theophylline monohydrate ()
THEOPHYLLINE ANHYDROUS ()
PMID28870136-Compound-48 ()
Choline theophyllinate ()
1,3-Dimethylxanthine ()
Theo-24 ()
1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione ()
AMBUPHYLLINE ()
THEOPHYLLINE OLAMINE ()
Bufylline ()
Theocolin ()
Choledyl ()
Choline Theophylline ()
Cholinophyllin ()
NSC-760431 ()
Choledyl SA ()
Theophyllinate de choline ()
Oxtriphylline Pediatric ()
Sabidal ()
Teofilinato de colina ()
Aminophylline Dye Free ()
Somophyllin ()
Theophylline-ethylenediamine ()
Somophyllin-Df ()
Peterphyllin ()
Syntophyllin ()
Cardophyllin ()
Aminophyllin ()
Amnivent-225 Sr ()
Linampheta ()
NSC-7919 ()
Ammophyllin ()
Aminophyllinum ()
Truphylline ()
Aminofilina ()
Amnivent-350 Sr ()
T-Phyl ()
Accurbron ()
Theoclear-80 ()
Aquaphyllin ()
Elixicon ()
Duraphyl ()
Quibron-T ()
Quibron-T/Sr ()
Nuelin SA-250 ()
Theograd ()
Theophyl ()
Theophylline 0.08% and dextrose 5% in plastic container ()
Theophyl-225 ()
Theophylline 0.2% and dextrose 5% in plastic container ()
Bronkodyl ()
Lanophyllin ()
Somophyllin-T ()
Elixomin ()
Elixophyllin Sr ()
Theophylline 0.32% and dextrose 5% in plastic container ()
Theobid ()
Theo-Dur ()
Theocin ()
Theophylline 0.16% and dextrose 5% in plastic container ()
Somophyllin-Crt ()
Aerolate Jr ()
Theoclear L.A.-130 ()
Theobid Jr. ()
Theoclear-100 ()
Theophylline component of dicurin procaine ()
Theophylline-Sr ()
Theochron ()
Theolixir ()
Theovent ()
Aerolate Sr ()
Elixophyllin ()
Lasma ()
Nuelin ()
Uniphyl ()
Aerolate Iii ()
Pro-Vent ()
NSC-757346 ()
Theophylline 0.04% and dextrose 5% in plastic container ()
Slo-Phyllin ()
Theophylline and dextrose 5% in plastic container ()
Slo-Bid ()
Theoclear L.A.-260 ()
Theophylline in dextrose 5% in plastic container ()
Aerolate ()
Theoclear-200 ()
Theophyl-Sr ()
Labid ()
Uni-Dur ()
Nuelin SA ()
Theophylline 0.4% and dextrose 5% in plastic container ()
Uniphyllin Continus ()
Theolair-Sr ()
Theophylline component of mersalyl- ()
Theolair ()
Sustaire ()
Butaphyllamine ()
Theophylline monoethanolamine ()
Theophylline ethanolamine ()
Theophylline-d6 ()
P&D ID
PD001734
CAS
5967-84-0
58-55-9
111079-49-3
12767-26-9
95646-60-9
5634-34-4
317-34-0
75448-53-2
4499-40-5
117490-39-8
Tags
available
drug
natural product
drug candidate
Approved by
FDA
First approval
1981
1976
1940
Drug indication
Bronchial asthma
Airway obstruction
Chronic obstructive pulmonary disease
Asthma
Drug Status
approved
experimental
Max Phase
4.0
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)
MOA
Oxtriphylline is a choline salt of theophylline. After ingestion, theophylline is released from oxytriphylline, and theophylline relaxes the smooth muscle of the bronchial airways and pulmonary blood vessels and reduces airway responsiveness to histamine, methacholine, adenosine, and allergen. Theophylline competitively inhibits type III and type IV phosphodiesterase (PDE), the enzyme responsible for breaking down cyclic AMP in smooth muscle cells, possibly resulting in bronchodilation. Theophylline also binds to the adenosine A2B receptor and blocks adenosine mediated bronchoconstriction. In inflammatory states, theophylline activates histone deacetylase to prevent transcription of inflammatory genes that require the acetylation of histones for transcription to begin.;
PRICE
31
DESCRIPTION
Theophylline is also a component of the approved drug aminophylline
DESCRIPTION
Theophylline the parent compound and component of the approved drug aminophylline. Aminophylline is a drug combination that contains theophylline and ethylenediamine (EDTA) in 2:1 ratio.
(GtoPdb)
DESCRIPTION
Theophylline (1,3-Dimethylxanthine) is a potent phosphodiesterase (PDE) inhibitor, adenosine receptor antagonist, and histone deacetylase (HDAC) activator. Theophylline (1,3-Dimethylxanthine) inhibits PDE3 activity to relax airway smooth muscle. Theophylline (1,3-Dimethylxanthine) has anti-inflammatory activity by increase IL-10 and inhibit NF-¦ÊB into the nucleus. Theophylline (1,3-Dimethylxanthine) induces apoptosis. Theophylline (1,3-Dimethylxanthine) can be used for asthma and chronic obstructive pulmonary disease (COPD) research[1][2][3][4][5].
PRICE
29
DESCRIPTION
Theophylline (1,3-Dimethylxanthine) is a methyl xanthine derivative from tea with diuretic, smooth muscle relaxant, bronchial dilation, cardiac, and central nervous system stimulant activities. It inhibits the 3', 5'-cyclic nucleotide phosphodiesterase that degrades cyclic AMP, thus potentiating the actions of agents that act through adenylyl cyclases and cyclic AMP.
PRICE
29
DESCRIPTION
Aminophylline is a competitive and non-selective phosphodiesterase (PDE) inhibitor. Aminophylline is a competitive adenosine receptor antagonist. Aminophylline has apulmonary vasodilator action as well as a bronchodilator action and has the potential for asthma research[1][2].
PRICE
29
DESCRIPTION
Choline theophyllinate (Oxtriphylline) is the choline salt of theophylline, a small molecule PDE inhibitor that can be used to treat immune system disorders and respiratory disorders, and to study asthma disorders.
(TargetMol Bioactive Compound Library)
DESCRIPTION
beta antagonist; also 5-HT1A antagonist
(Tocris Bioactive Compound Library)
DESCRIPTION
Theophylline is a xanthine used to manage the symptoms of asthma, COPD, and other lung conditions caused by reversible airflow obstruction. Theophylline relaxes the smooth muscle of the bronchial airways and pulmonary blood vessels and reduces airway responsiveness to histamine, methacholine, adenosine, and allergen.
(Enamine Bioactive Compounds)
DESCRIPTION
Binding affinity for adenosine A1 receptor by using as [3H]CPX iradioligand n membranes from Chinese hamster ovary cells; Binding affinity for adenosine A2a receptor by using as [3H]ZM-241385 radioligand in membranes from HEK-A2A cells; Binding affinity for adenosine A3 receptor by displacement of specific binding of [125I]AB-MECA in membranes from CHO-A3 cells
(TargetMol Bioactive Compound Library)
DESCRIPTION
A1/A2 adenosine receptor antagonist; diuretic; cardiac stimulant; smooth muscle relaxant
(LOPAC library)
DESCRIPTION
Aminophylline is a competitive nonselective phosphodiesterase inhibitor with an IC50 of 0.12 mM and also a nonselective adenosine receptor antagonist.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
Aminophylline (Phyllocontin) is a competitive nonselective phosphodiesterase inhibitor giving a bronchodilatory effect.
(TargetMol Bioactive Compound Library)
DESCRIPTION
Theophylline monohydrate (Quibron) appears to inhibit phosphodiesterase and prostaglandin production, regulate calcium flux and intracellular calcium distribution, and antagonize adenosine. Theophylline monohydrate is a natural alkaloid derivative of xanthine isolated from the plants Camellia sinensis and Coffea arabica. Physiologically, this agent relaxes the bronchial smooth muscle, produces vasodilation (except in cerebral vessels), stimulates the CNS, stimulates the cardiac muscle, induces diuresis, and increases gastric acid secretion; it may also suppress inflammation and improve contractility of the diaphragm.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
2
Compound Sets
32
AdooQ Bioactive Compound Library
BOC Sciences Bioactive Compounds
CeMM library of unique drugs (CLOUD)
ChEMBL Approved Drugs
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugCentral
DrugCentral Approved Drugs
DrugMatrix
Enamine Bioactive Compounds
Enamine BioReference Compounds
Guide to Pharmacology
Ki Database
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
NCATS Inxight Approved Drugs
NIH Clinical Collections (NCC)
Other bioactive compounds
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
The Spectrum Collection
Tocris Bioactive Compound Library
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
166
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
MOA
Adenosine Receptor antagonist
phosphodiesterase inhibitor
Antagonist
Target
Phosphodiesterase 3
Phosphodiesterase 4
Adenosine Receptor
PDE
phosphodiesterase
HDAC2
Endogenous Metabolite
ADORA1, ADORA2A, ADORA2B, ADORA3, HDAC2, PDE3A, PDE3B, PDE4A, PDE4B, PDE4C, PDE4D, PDE5A
Phosphodiesterase (PDE)
Apoptosis
HDAC
Interleukin Related
TNF Receptor
PDE Inhibitor, Adenosine receptor, & Histone deacetylase
Primary Target
Non-selective Adenosine
Indication
asthma, bronchitis, emphysema
Pathway
GPCR/G protein
Metabolism
Neuroscience
Chromatin/Epigenetic
DNA Damage/DNA Repair
Metabolic Enzyme/Protease
Cell Cycle/DNA Damage
Epigenetics
Immunology/Inflammation
Therapeutic Class
Bronchodilator Agents
Solubility
Soluble in Water
Source data
