theophylline indications/contra

Stem definitionDrug idCAS RN
N-methylated xanthine derivatives 2620 58-55-9

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • aminophyllin
  • aminophylline
  • theophylline
  • 1,3-Dimethylxanthine
  • armophylline
  • cetraphylline
  • chronophyllin
  • duraphyllin
  • elixophyllin
  • elixophylline
  • etheophyl
  • lanophyllin
  • pseudotheophylline
  • theophyllin
  • throphylline
  • xanthium
  • theophylline anhydrous
  • aminophylline dihydrate
  • theophylline sodium glycinate
  • theophylline monohydrate
A plant genus of the family ASTERACEAE. The name "prickly burweed" is sometimes used but causes confusion with AMSINCKIA.
  • Molecular weight: 180.17
  • Formula: C7H8N4O2
  • CLOGP: -0.03
  • LIPINSKI: 0
  • HAC: 6
  • HDO: 1
  • TPSA: 69.30
  • ALOGS: -0.80
  • ROTB: 0

Drug dosage:

DoseUnitRoute
0.40 g O
0.40 g P
0.40 g R
0.60 g O
0.60 g P
0.60 g R

Approvals:

DateAgencyCompanyOrphan
April 19, 1940 FDA GD SEARLE LLC

FDA Adverse Event Reporting System

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MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Toxicity to various agents 442.33 44.53 139 971 46915 3337834
Tachycardia 290.17 44.53 86 1024 23285 3361464
Seizure 236.18 44.53 84 1026 40316 3344433
Overdose 218.85 44.53 76 1034 33902 3350847
Asthma 154.72 44.53 46 1064 12356 3372393
Vomiting 141.93 44.53 74 1036 89457 3295292
Hypokalaemia 141.38 44.53 44 1066 13761 3370988
Intentional overdose 141.27 44.53 45 1065 15180 3369569
Hypotension 136.62 44.53 60 1050 49454 3335295
Drug interaction 133.25 44.53 58 1052 46754 3337995
Drug level increased 132.76 44.53 33 1077 4512 3380237
Completed suicide 130.82 44.53 51 1059 31063 3353686
Medication error 113.78 44.53 36 1074 11835 3372914
Dyspnoea 113.31 44.53 67 1043 102867 3281882
Supraventricular tachycardia 112.12 44.53 27 1083 3229 3381520
Cardiac arrest 101.48 44.53 41 1069 27278 3357471
Drug hypersensitivity 100.62 44.53 44 1066 35636 3349113
Mental disability 99.49 44.53 14 1096 73 3384676
Depressed level of consciousness 90.39 44.53 30 1080 11435 3373314
Toxic epidermal necrolysis 88.87 44.53 24 1086 4521 3380228
Chronic obstructive pulmonary disease 87.55 44.53 29 1081 10980 3373769
Rhabdomyolysis 84.81 44.53 31 1079 15698 3369051
Atrial fibrillation 82.24 44.53 34 1076 23907 3360842
Nausea 80.29 44.53 59 1051 129586 3255163
Generalised tonic-clonic seizure 79.50 44.53 25 1085 8017 3376732
Stress cardiomyopathy 76.47 44.53 17 1093 1425 3383324
Heart rate increased 76.03 44.53 28 1082 14458 3370291
Pyrexia 74.06 44.53 47 1063 81068 3303681
Suicide attempt 73.59 44.53 28 1082 15819 3368930
Status epilepticus 70.65 44.53 19 1091 3516 3381233

Pharmacologic Action:

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SourceCodeDescription
ATC R03DA04 RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Xanthines
ATC R03DA05 RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Xanthines
ATC R03DA54 RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Xanthines
ATC R03DA55 RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Xanthines
ATC R03DA74 RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Xanthines
ATC R03DB04 RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Xanthines and adrenergics
ATC R03DB05 RESPIRATORY SYSTEM
DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
Xanthines and adrenergics
CHEBI has role CHEBI:51371 muscle relaxant
CHEBI has role CHEBI:35523 bronchodilator agent
CHEBI has role CHEBI:35620 vasodilator agent
CHEBI has role CHEBI:50846 immunomodulator
CHEBI has role CHEBI:67079 anti-inflammatory agent
CHEBI has role CHEBI:49167 anti-asthmatic drug
MeSH PA D018927 Anti-Asthmatic Agents
MeSH PA D001337 Autonomic Agents
MeSH PA D001993 Bronchodilator Agents
MeSH PA D002316 Cardiotonic Agents
MeSH PA D002317 Cardiovascular Agents
MeSH PA D004791 Enzyme Inhibitors
MeSH PA D018377 Neurotransmitter Agents
MeSH PA D018373 Peripheral Nervous System Agents
MeSH PA D010726 Phosphodiesterase Inhibitors
MeSH PA D020011 Protective Agents
MeSH PA D058905 Purinergic Agents
MeSH PA D058914 Purinergic Antagonists
MeSH PA D058915 Purinergic P1 Receptor Antagonists
MeSH PA D019141 Respiratory System Agents
MeSH PA D014665 Vasodilator Agents
FDA EPC N0000175790 Methylxanthine
FDA Chemical/Ingredient N0000008118 Xanthines

Drug Use (View source of the data)

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DiseaseRelationSNOMED_IDDOID
Bronchospasm indication 4386001
Disorder of lung indication 19829001 DOID:850
Bronchitis indication 32398004 DOID:6132
Pulmonary emphysema indication 87433001
Asthma indication 195967001 DOID:2841
Asthma night-time symptoms indication 395022009
Asthma management indication 406162001
Acute exacerbation of asthma indication 708038006
Asthma-chronic obstructive pulmonary disease overlap syndrome indication 10692761000119107
Chronic Obstructive Pulmonary Disease with Bronchospasms indication
COPD Associated with Chronic Bronchitis indication
Goiter contraindication 3716002 DOID:12176
Tachyarrhythmia contraindication 6285003
Suicidal thoughts contraindication 6471006
Alcoholism contraindication 7200002
Hyperammonemia contraindication 9360008
Peptic ulcer contraindication 13200003 DOID:750
Hepatic encephalopathy contraindication 13920009 DOID:13413
Hyperkalemia contraindication 14140009
Pulmonary edema contraindication 19242006 DOID:11396
Hashimoto thyroiditis contraindication 21983002 DOID:7188
Myocardial infarction contraindication 22298006 DOID:5844
Acute tuberculosis contraindication 25629007
Shock contraindication 27942005
Hyperthyroidism contraindication 34486009 DOID:7998
Depressive disorder contraindication 35489007 DOID:2848
Acute hepatitis contraindication 37871000
Hypertensive disorder contraindication 38341003 DOID:10763
Hypothyroidism contraindication 40930008 DOID:1459
Third trimester pregnancy contraindication 41587001
Conduction disorder of the heart contraindication 44808001
Chronic heart failure contraindication 48447003
Disorder of cardiovascular system contraindication 49601007 DOID:1287
Coronary arteriosclerosis contraindication 53741008 DOID:3393
Multiple organ failure contraindication 57653000
Hepatic failure contraindication 59927004
Poisoning by phenobarbital contraindication 64921004
Substance abuse contraindication 66214007
Psychotic disorder contraindication 69322001
Hepatic coma contraindication 72836002 DOID:12550
Diabetes mellitus contraindication 73211009 DOID:9351
Sleep apnea contraindication 73430006 DOID:0050848
Chronic idiopathic constipation contraindication 82934008
Cor pulmonale contraindication 83291003 DOID:8515
Open-angle glaucoma contraindication 84494001 DOID:1067
Kidney disease contraindication 90708001 DOID:2527
Dermatitis herpetiformis contraindication 111196000 DOID:8505
Seizure disorder contraindication 128613002 DOID:1826
Cystic fibrosis contraindication 190905008 DOID:1485
Angina pectoris contraindication 194828000
Disease of liver contraindication 235856003 DOID:409
Bladder outflow obstruction contraindication 236645006
Sepsis syndrome contraindication 238150007
Hypocomplementemic urticarial vasculitis contraindication 239945009
Benign prostatic hyperplasia contraindication 266569009 DOID:2883
Dyspnea contraindication 267036007
Retention of urine contraindication 267064002
Anemia contraindication 271737000 DOID:2355
Continuous fever contraindication 271751000
Pregnancy, function contraindication 289908002
Thrombocytopenic disorder contraindication 302215000 DOID:1588
Neutropenic disorder contraindication 303011007 DOID:1227
Smoking cessation assistance contraindication 384742004
Angle-closure glaucoma contraindication 392291006 DOID:13550
Breastfeeding (mother) contraindication 413712001
Chronic myocardial ischemia contraindication 413844008 DOID:3393
Disorder of coronary artery contraindication 414024009
Myocardial ischemia contraindication 414795007 DOID:3393
Porphyria contraindication 418470004 DOID:13268
Hypertensive urgency contraindication 443482000
Smokes tobacco daily contraindication 449868002
Theophylline Toxicity contraindication
Severe Hypoxemia contraindication
Apnea in the newborn off-label use 13094009
Neonatal Mixed Apnea off-label use

Acid dissociation constants calculated using MoKa v3.0.0

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Dissociation levelDissociation constantType (acidic/basic)
pKa1 7.46 acidic
pKa2 3.01 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

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TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Adenosine receptor A1 GPCR ANTAGONIST Ki 9.22 CHEMBL CHEMBL
Adenosine receptor A2b GPCR ANTAGONIST Ki 5.57 CHEMBL CHEMBL
cGMP-inhibited 3',5'-cyclic phosphodiesterase A Enzyme INHIBITOR Ki 3.85 WOMBAT-PK CHEMBL
Adenosine receptor A2a GPCR ANTAGONIST Ki 9.22 CHEMBL CHEMBL
cAMP-specific 3',5'-cyclic phosphodiesterase 4A Enzyme INHIBITOR Ki 4.11 WOMBAT-PK CHEMBL
Alkaline phosphatase, tissue-nonspecific isozyme Enzyme Ki 4.09 CHEMBL
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform Kinase IC50 4.12 CHEMBL
Adenosine receptor A3 GPCR ANTAGONIST Ki 7.85 CHEMBL
Adenosine A2a receptor Unclassified Ki 4.89 CHEMBL
Adenosine receptor A2a GPCR Ki 5.17 CHEMBL
Adenosine A2 receptor GPCR Ki 5.88 CHEMBL
Heart phosphodiesterase Enzyme IC50 4.04 CHEMBL
Adenosine receptor A3 GPCR Ki 4.07 CHEMBL
Uncharacterized protein Enzyme Ki 4.11 CHEMBL
Adenosine A2b receptor GPCR Ki 4.82 CHEMBL
Adenosine receptor A1 GPCR Ki 5.01 CHEMBL
Adenosine receptor GPCR Ki 4.70 CHEMBL
Adenosine receptor A2b Unclassified ANTAGONIST Ki 5.25 IUPHAR
Adenosine receptor A1 GPCR Ki 5.42 CHEMBL
Adenosine receptor A1 GPCR Ki 6.15 CHEMBL

External reference:

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IDSource
CHEBI:28177 CHEBI
DB00277 DRUGBANK_ID
413 IUPHAR_LIGAND_ID
4018056 VUID
N0000146397 NUI
C0002575 UMLSCUI
D00227 KEGG_DRUG
0I55128JYK UNII
376 INN_ID
317-34-0 SECONDARY_CAS_RN
4018129 VANDF
N0000007076 NDFRT
N0000146467 NDFRT
2086 MMSL
10438 RXNORM
372810006 SNOMEDCT_US
66493003 SNOMEDCT_US
5563 MMSL
d00142 MMSL
4173 MMSL
000602 NDDF
CHEMBL190 ChEMBL_ID
CHEMBL1200578 ChEMBL_ID
CHEMBL1370561 ChEMBL_ID
D013806 MESH_DESCRIPTOR_UI
D031210 MESH_DESCRIPTOR_UI
DB01223 DRUGBANK_ID
D000628 MESH_DESCRIPTOR_UI
2153 PUBCHEM_CID

Pharmaceutical products:

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ProductCategoryIngredientsNDCFormQuantityRoute MarketingLabel
THEOPHYLLINE HUMAN PRESCRIPTION DRUG LABEL 1 0121-0820 SOLUTION 80 mg ORAL ANDA 12 sections
Theophylline HUMAN PRESCRIPTION DRUG LABEL 1 0121-4794 SOLUTION 80 mg ORAL ANDA 12 sections
THEOPHYLLINE HUMAN PRESCRIPTION DRUG LABEL 1 0121-4820 SOLUTION 80 mg ORAL ANDA 12 sections
Theophylline in Dextrose HUMAN PRESCRIPTION DRUG LABEL 2 0264-9554 INJECTION, SOLUTION 80 mg INTRAVENOUS NDA 13 sections
Theophylline HUMAN PRESCRIPTION DRUG LABEL 1 0378-0486 TABLET, EXTENDED RELEASE 400 mg ORAL ANDA 12 sections
Theophylline HUMAN PRESCRIPTION DRUG LABEL 1 0378-0487 TABLET, EXTENDED RELEASE 600 mg ORAL ANDA 12 sections
Aminophylline HUMAN PRESCRIPTION DRUG LABEL 1 0409-5921 INJECTION, SOLUTION 25 mg INTRAVENOUS ANDA 12 sections
Aminophylline HUMAN PRESCRIPTION DRUG LABEL 1 0409-5922 INJECTION, SOLUTION 25 mg INTRAVENOUS ANDA 12 sections
Aminophylline HUMAN PRESCRIPTION DRUG LABEL 1 0409-7385 INJECTION, SOLUTION 25 mg INTRAVENOUS ANDA 12 sections
Aminophylline HUMAN PRESCRIPTION DRUG LABEL 1 0409-7386 INJECTION, SOLUTION 25 mg INTRAVENOUS ANDA 12 sections
Theophylline Extended Release HUMAN PRESCRIPTION DRUG LABEL 1 0615-1590 TABLET, EXTENDED RELEASE 300 mg ORAL ANDA 12 sections
Theophylline Extended Release HUMAN PRESCRIPTION DRUG LABEL 1 0615-2503 TABLET, EXTENDED RELEASE 200 mg ORAL ANDA 12 sections
Theophylline HUMAN PRESCRIPTION DRUG LABEL 1 0904-5887 TABLET, EXTENDED RELEASE 100 mg ORAL ANDA 11 sections
Theophylline HUMAN PRESCRIPTION DRUG LABEL 1 0904-5888 TABLET, EXTENDED RELEASE 200 mg ORAL ANDA 11 sections
Theophylline HUMAN PRESCRIPTION DRUG LABEL 1 0904-5889 TABLET, EXTENDED RELEASE 300 mg ORAL ANDA 11 sections
Theophylline HUMAN PRESCRIPTION DRUG LABEL 1 10135-604 SOLUTION 80 mg ORAL ANDA 12 sections
Theophylline(Anhydrous) HUMAN PRESCRIPTION DRUG LABEL 1 16571-011 TABLET, EXTENDED RELEASE 400 mg ORAL ANDA 12 sections
ELIXOPHYLLIN HUMAN PRESCRIPTION DRUG LABEL 1 17856-0644 LIQUID 80 mg ORAL ANDA 10 sections
Theophylline HUMAN PRESCRIPTION DRUG LABEL 1 27808-033 SOLUTION 80 mg ORAL ANDA 11 sections
Theophylline HUMAN PRESCRIPTION DRUG LABEL 1 29033-001 TABLET, EXTENDED RELEASE 400 mg ORAL ANDA 12 sections
Theophylline HUMAN PRESCRIPTION DRUG LABEL 1 29033-002 TABLET, EXTENDED RELEASE 600 mg ORAL ANDA 12 sections
Theophylline HUMAN PRESCRIPTION DRUG LABEL 1 42291-813 TABLET, EXTENDED RELEASE 100 mg ORAL ANDA 11 sections
Theophylline HUMAN PRESCRIPTION DRUG LABEL 1 42291-814 TABLET, EXTENDED RELEASE 200 mg ORAL ANDA 11 sections
Theophylline HUMAN PRESCRIPTION DRUG LABEL 1 42291-815 TABLET, EXTENDED RELEASE 300 mg ORAL ANDA 11 sections
Theophylline HUMAN PRESCRIPTION DRUG LABEL 1 42858-701 TABLET, EXTENDED RELEASE 400 mg ORAL ANDA 11 sections
Theophylline HUMAN PRESCRIPTION DRUG LABEL 1 42858-702 TABLET, EXTENDED RELEASE 600 mg ORAL ANDA 11 sections
Theophylline HUMAN PRESCRIPTION DRUG LABEL 1 46708-025 TABLET, EXTENDED RELEASE 300 mg ORAL ANDA 11 sections
Theophylline HUMAN PRESCRIPTION DRUG LABEL 1 46708-026 TABLET, EXTENDED RELEASE 450 mg ORAL ANDA 11 sections
ELIXOPHYLLIN HUMAN PRESCRIPTION DRUG LABEL 1 49708-644 LIQUID 80 mg ORAL ANDA 11 sections
Theophylline HUMAN PRESCRIPTION DRUG LABEL 1 50111-459 TABLET, EXTENDED RELEASE 300 mg ORAL ANDA 11 sections