General
Preferred name
THEOPHYLLINE
Synonyms
OXTRIPHYLLINE ()
Aminophylline ethylenediamine ()
Theo-24 ()
1,3-Dimethylxanthine ()
Phyllocontin ()
Theophylline (1,3-dimethylxanthine) ()
AMINOPHYLLINE ()
Theophylline monohydrate ()
THEOPHYLLINE ANHYDROUS ()
PMID28870136-Compound-48 ()
Choline theophyllinate ()
Bufylline ()
NSC-760431 ()
Oxtriphylline Pediatric ()
Choline Theophylline ()
Teofilinato de colina ()
Cholinophyllin ()
Theocolin ()
Choledyl ()
Sabidal ()
Theophyllinate de choline ()
Choledyl SA ()
Doxophylline metabolite m3 ()
Quibron-T ()
Duraphyl ()
NSC-757346 ()
Respbid ()
Bronkodyl ()
Lasma ()
Labid ()
Nuelin ()
Nuelin SA ()
Elixomin ()
Elixicon ()
Theograd ()
T-Phyl ()
Aerolate Sr ()
Somophyllin-T ()
Aerolate ()
Lanophyllin ()
Aerolate Jr ()
Quibron ()
Theophyl-225 ()
Accurbron ()
Theophylline,anhydrous ()
Theolixir ()
Elixophyllin Sr ()
Theoclear-80 ()
Theocin ()
Theo-Dur ()
Theoclear-200 ()
Theoclear L.A.-260 ()
Theophylline-Sr ()
Slo-Bid ()
Somophyllin-Crt ()
Pro-Vent ()
Theobid ()
Aerolate Iii ()
Quibron-T/Sr ()
Sustaire ()
Uniphyllin Continus ()
Theoclear L.A.-130 ()
Uniphyl ()
Aquaphyllin ()
Elixophyllin ()
Theobid Jr. ()
Dimethylxanthine ()
Theophylline melting point standard ()
Uni-Dur ()
Theolair ()
NSC-2066 ()
Theophylline, anhydrous ()
Theophyl ()
Theophyl-Sr ()
Nuelin SA-250 ()
Theovent ()
Theochron ()
Theolair-Sr ()
Theoclear-100 ()
Slo-Phyllin ()
NSC-7919 ()
Aminophyllinum ()
Aminophyllin ()
Aminofilina ()
Aminophylline Dye Free ()
Theophyllamine ()
Amnivent-225 Sr ()
Syntophyllin ()
Amnivent-350 Sr ()
Theophylline Ethylenediamine ()
Linampheta ()
Truphylline ()
Theophylline-ethylenediamine ()
Peterphyllin ()
Aminophylline In Sodium Chloride ()
Somophyllin-Df ()
Ammophyllin ()
Somophyllin ()
Cardophyllin ()
AMBUPHYLLINE ()
THEOPHYLLINE OLAMINE ()
Theophylline-d6 ()
P&D ID
PD001734
CAS
5967-84-0
58-55-9
317-34-0
111079-49-3
12767-26-9
95646-60-9
5634-34-4
75448-53-2
4499-40-5
117490-39-8
Tags
available
drug candidate
natural product
drug
Approved by
FDA
First approval
1981
1940
Drug indication
Bronchodilator
Diuretic
Relaxant (smooth muscle)
Relaxant (smooth muscle),Relaxant (smooth muscle)
Bronchodilator,Diuretic
Chronic obstructive pulmonary disease
Asthma
Bronchial asthma
Drug Status
experimental
approved
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)
DESCRIPTION
Theophylline is also a component of the approved drug aminophylline
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.;
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
beta antagonist; also 5-HT1A antagonist
(Tocris 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)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
2
Compound Sets
31
AdooQ Bioactive Compound Library
BOC Sciences Bioactive Compounds
CeMM library of unique drugs (CLOUD)
ChEMBL Approved Drugs
ChEMBL Drugs
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugCentral
DrugCentral Approved Drugs
DrugMatrix
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
164
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
HDAC2
PDE
ADORA1, ADORA2A, ADORA2B, ADORA3, HDAC2, PDE3A, PDE3B, PDE4A, PDE4B, PDE4C, PDE4D, PDE5A
Phosphodiesterase (PDE)
Endogenous Metabolite
HDAC
Interleukin Related
TNF Receptor
PDE Inhibitor, Adenosine receptor, & Histone deacetylase
Pathway
Chromatin/Epigenetic
Metabolism
Neuroscience
DNA Damage/DNA Repair
NF-??b
GPCR/G protein
Metabolic Enzyme/Protease
Apoptosis
Cell Cycle/DNA Damage
Epigenetics
Immunology/Inflammation
Primary Target
Non-selective Adenosine
Indication
asthma, bronchitis, emphysema
Therapeutic Class
Bronchodilator Agents
Solubility
Soluble in Water
Source data
