theophylline Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

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

  • Status: OFP

  • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

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

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 1 Benet LZ, Broccatelli F, Oprea TI
S (Water solubility) 8.30 mg/mL Benet LZ, Broccatelli F, Oprea TI
EoM (Fraction excreted unchanged in urine) 18 % Benet LZ, Broccatelli F, Oprea TI
MRTD (Maximum Recommended Therapeutic Daily Dose) 48.12 ┬ÁM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
Vd (Volume of distribution) 0.51 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 0.86 mL/min/kg Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma) 0.61 % Lombardo F, Berellini G, Obach RS
t_half (Half-life) 7.20 hours Lombardo F, Berellini G, Obach RS

Approvals:

DateAgencyCompanyOrphan
April 19, 1940 FDA GD SEARLE LLC

FDA Adverse Event Reporting System (Female)

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
Asthma 709.22 12.50 463 20226 91079 46574294
Wheezing 288.48 12.50 217 20472 53169 46612204
Chronic obstructive pulmonary disease 168.85 12.50 165 20524 57468 46607905
Dyspnoea 122.68 12.50 501 20188 515047 46150326
Productive cough 108.80 12.50 123 20566 50592 46614781
Forced expiratory volume decreased 104.02 12.50 49 20640 5055 46660318
Sputum discoloured 99.38 12.50 65 20624 12713 46652660
Rales 87.37 12.50 54 20635 9577 46655796
Hypercapnia 77.97 12.50 39 20650 4587 46660786
Breath sounds abnormal 76.48 12.50 46 20643 7769 46657604
Status asthmaticus 69.78 12.50 23 20666 913 46664460
Sinus tachycardia 63.35 12.50 62 20627 21587 46643786
Rheumatoid arthritis 62.26 12.50 15 20674 240200 46425173
Chest discomfort 59.90 12.50 127 20562 90142 46575231
Obstructive airways disorder 54.11 12.50 46 20643 13366 46652007
Bronchitis chronic 52.73 12.50 29 20660 4138 46661235
Neurosensory hypoacusis 50.92 12.50 14 20675 295 46665078
Toxicity to various agents 46.22 12.50 201 20488 211565 46453808
Cough 44.62 12.50 211 20478 230038 46435335
Respiratory rate increased 43.66 12.50 38 20651 11395 46653978
Lung hyperinflation 42.87 12.50 17 20672 1152 46664221
Airway peak pressure increased 42.33 12.50 12 20677 284 46665089
Occupational asthma 41.11 12.50 10 20679 127 46665246
Pneumonia 40.43 12.50 295 20394 376025 46289348
Drug interaction 39.98 12.50 187 20502 202907 46462466
Bronchial neoplasm 39.74 12.50 11 20678 238 46665135
Acute respiratory failure 39.12 12.50 56 20633 29082 46636291
PCO2 increased 38.32 12.50 16 20673 1238 46664135
Nasal turbinate hypertrophy 37.93 12.50 12 20677 417 46664956
Increased viscosity of bronchial secretion 37.75 12.50 11 20678 288 46665085
Nasal congestion 37.00 12.50 72 20617 48041 46617332
Bronchospasm 36.93 12.50 40 20649 15667 46649706
Emphysema 36.41 12.50 31 20658 9023 46656350
Bronchial haemorrhage 36.19 12.50 11 20678 334 46665039
Lower respiratory tract infection 35.93 12.50 77 20612 55012 46610361
Respiratory failure 35.14 12.50 107 20582 94709 46570664
Prolonged expiration 35.09 12.50 11 20678 371 46665002
Heart sounds 35.02 12.50 10 20679 243 46665130
Lipohypertrophy 34.63 12.50 13 20676 759 46664614
Vital capacity decreased 34.61 12.50 12 20677 557 46664816
Respiratory tract inflammation 33.20 12.50 11 20678 444 46664929
Respiratory acidosis 33.15 12.50 25 20664 6123 46659250
Congestive cardiomyopathy 32.52 12.50 24 20665 5689 46659684
Eosinophilic granulomatosis with polyangiitis 32.48 12.50 16 20673 1820 46663553
PO2 decreased 32.21 12.50 15 20674 1507 46663866
Oesophageal dilatation 32.11 12.50 10 20679 330 46665043
Stress cardiomyopathy 32.02 12.50 27 20662 7757 46657616
Tachycardia 31.09 12.50 106 20583 99516 46565857
Decreased bronchial secretion 30.97 12.50 7 20682 63 46665310
Arteriosclerosis coronary artery 30.92 12.50 27 20662 8129 46657244
Joint swelling 30.32 12.50 18 20671 166055 46499318
Infective exacerbation of chronic obstructive airways disease 29.30 12.50 13 20676 1167 46664206
Pain 29.12 12.50 111 20578 476837 46188536
Alopecia 29.10 12.50 18 20671 162396 46502977
Sinus pain 28.97 12.50 15 20674 1895 46663478
Endometrial ablation 28.57 12.50 11 20678 689 46664684
Blood bicarbonate decreased 28.27 12.50 17 20672 2868 46662505
Breast neoplasm 28.14 12.50 13 20676 1282 46664091
Drug level above therapeutic 27.64 12.50 18 20671 3491 46661882
Bronchial disorder 27.63 12.50 12 20677 1023 46664350
Middle insomnia 27.36 12.50 27 20662 9488 46655885
Blood pH decreased 27.10 12.50 16 20673 2611 46662762
Drug level increased 27.07 12.50 37 20652 18404 46646969
Dyspnoea exertional 26.91 12.50 65 20624 50224 46615149
Antasthmatic drug level above therapeutic 26.89 12.50 4 20685 0 46665373
Rhonchi 26.89 12.50 15 20674 2200 46663173
Female sterilisation 26.61 12.50 10 20679 586 46664787
Asthmatic crisis 26.50 12.50 13 20676 1465 46663908
Treatment failure 25.73 12.50 5 20684 93082 46572291
Adrenal suppression 25.31 12.50 11 20678 940 46664433
Urogenital haemorrhage 25.09 12.50 7 20682 156 46665217
Bronchial obstruction 24.82 12.50 12 20677 1310 46664063
Ligament pain 24.48 12.50 7 20682 171 46665202
Blood immunoglobulin E increased 24.27 12.50 13 20676 1760 46663613
Left ventricular failure 24.08 12.50 19 20670 4971 46660402
Kyphosis 23.70 12.50 14 20675 2287 46663086
Lung opacity 23.00 12.50 11 20678 1173 46664200
Fatigue 22.93 12.50 167 20522 608530 46056843
Diabetes mellitus 22.92 12.50 61 20628 50004 46615369
Hypoventilation 22.80 12.50 17 20672 4093 46661280
Dyspnoea at rest 22.54 12.50 16 20673 3572 46661801
Multiple drug therapy 22.50 12.50 10 20679 901 46664472
Rhabdomyolysis 22.24 12.50 54 20635 41855 46623518
Blood lactic acid increased 22.00 12.50 19 20670 5638 46659735
Heart rate increased 21.95 12.50 78 20611 74713 46590660
Cyanosis 21.88 12.50 31 20658 15940 46649433
Paranasal sinus hypersecretion 21.70 12.50 15 20674 3209 46662164
Off label use 21.50 12.50 91 20598 379750 46285623
Exercise tolerance decreased 21.18 12.50 17 20672 4560 46660813
Macrocytosis 21.10 12.50 13 20676 2290 46663083
Presbyacusis 21.07 12.50 14 20675 2808 46662565
Allergic cough 20.98 12.50 8 20681 488 46664885
Respiratory tract congestion 20.87 12.50 27 20662 12737 46652636
Spleen congestion 20.74 12.50 6 20683 153 46665220
Febrile neutropenia 20.71 12.50 8 20681 94619 46570754
Arthropathy 20.56 12.50 6 20683 84694 46580679
Rash 20.43 12.50 85 20604 356427 46308946
Painful respiration 19.95 12.50 13 20676 2524 46662849
Eye paraesthesia 19.72 12.50 5 20684 76 46665297
Pertussis 19.53 12.50 8 20681 590 46664783
Viral infection 19.40 12.50 42 20647 30193 46635180
Neutropenia 19.28 12.50 21 20668 143183 46522190
Systemic lupus erythematosus 19.11 12.50 3 20686 65177 46600196
Drug ineffective 18.87 12.50 201 20488 677637 45987736
Glossitis 18.77 12.50 13 20676 2790 46662583
Abdominal discomfort 18.40 12.50 24 20665 151141 46514232
Sleep disorder due to a general medical condition 18.36 12.50 14 20675 3485 46661888
Hypokalaemia 17.98 12.50 82 20607 87942 46577431
Contraindicated product prescribed 17.90 12.50 8 20681 731 46664642
Anaphylactic reaction 17.88 12.50 58 20631 53054 46612319
Pulmonary congestion 17.78 12.50 27 20662 14772 46650601
Product use issue 17.63 12.50 10 20679 94634 46570739
Granuloma 17.35 12.50 14 20675 3784 46661589
Pleural rub 17.32 12.50 4 20685 40 46665333
Respiration abnormal 17.21 12.50 15 20674 4506 46660867
Increased bronchial secretion 17.09 12.50 10 20679 1604 46663769
Bronchitis 16.87 12.50 92 20597 105887 46559486
Rhinitis 16.63 12.50 19 20670 7887 46657486
Medication error 16.58 12.50 40 20649 30871 46634502
Blood count abnormal 16.56 12.50 29 20660 17849 46647524
Myopathy 16.46 12.50 20 20669 8861 46656512
Ventricular tachycardia 16.34 12.50 28 20661 16939 46648434
Depressive symptom 16.34 12.50 12 20677 2824 46662549
Parakeratosis 16.08 12.50 5 20684 164 46665209
Depressed level of consciousness 16.06 12.50 52 20637 47517 46617856
Musculoskeletal stiffness 16.02 12.50 12 20677 97981 46567392
Staphylococcus test positive 15.92 12.50 13 20676 3571 46661802
Injection site hypoaesthesia 15.88 12.50 6 20683 357 46665016
Oropharyngeal candidiasis 15.85 12.50 8 20681 958 46664415
Atopy 15.48 12.50 5 20684 186 46665187
Respiratory disorder 15.37 12.50 36 20653 27264 46638109
Haemoptysis 15.25 12.50 35 20654 26154 46639219
Diarrhoea 15.12 12.50 167 20522 559435 46105938
Tremor 14.93 12.50 95 20594 115544 46549829
Aortic valve calcification 14.93 12.50 6 20683 421 46664952
Wrong technique in product usage process 14.88 12.50 3 20686 54419 46610954
Escherichia infection 14.82 12.50 21 20668 10796 46654577
Cushingoid 14.80 12.50 16 20673 6250 46659123
Neonatal tachycardia 14.64 12.50 3 20686 16 46665357
Stress urinary incontinence 14.61 12.50 10 20679 2106 46663267
Generalised tonic-clonic seizure 14.44 12.50 35 20654 27087 46638286
Scratch 14.36 12.50 14 20675 4848 46660525
Supraventricular tachycardia 14.26 12.50 23 20666 13247 46652126
Contraindicated product administered 14.11 12.50 9 20680 79938 46585435
Injection site pain 14.10 12.50 16 20673 107136 46558237
Oxygen saturation decreased 13.80 12.50 64 20625 69100 46596273
Blood pressure inadequately controlled 13.60 12.50 13 20676 4393 46660980
Mental disability 13.47 12.50 4 20685 112 46665261
Product dose omission issue 13.19 12.50 35 20654 168485 46496888
Vasodilation procedure 12.99 12.50 3 20686 30 46665343
Diabetes mellitus inadequate control 12.98 12.50 22 20667 13192 46652181
Weaning failure 12.88 12.50 5 20684 320 46665053
Death 12.61 12.50 92 20597 335456 46329917

FDA Adverse Event Reporting System (Male)

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
Asthma 467.25 12.88 253 12796 35921 29903508
Chronic obstructive pulmonary disease 304.28 12.88 210 12839 45916 29893513
Forced expiratory volume decreased 119.11 12.88 47 13002 3203 29936226
Wheezing 108.19 12.88 97 12952 30841 29908588
Dyspnoea 96.83 12.88 341 12708 332954 29606475
Obstructive airways disorder 88.70 12.88 53 12996 9006 29930423
Respiratory failure 69.09 12.88 142 12907 100500 29838929
Vital capacity decreased 60.84 12.88 17 13032 388 29939041
Sputum discoloured 57.56 12.88 36 13013 6632 29932797
Foetal malformation 55.71 12.88 13 13036 139 29939290
Mental disability 54.06 12.88 10 13039 28 29939401
Forced vital capacity decreased 53.99 12.88 18 13031 754 29938675
Trisomy 18 49.65 12.88 13 13036 230 29939199
Pulmonary function test decreased 41.70 12.88 25 13024 4270 29935159
Tachycardia foetal 41.21 12.88 12 13037 319 29939110
Productive cough 38.69 12.88 56 12993 29897 29909532
Foetal distress syndrome 38.66 12.88 15 13034 976 29938453
Eosinophilic granulomatosis with polyangiitis 37.86 12.88 16 13033 1299 29938130
Total lung capacity abnormal 37.72 12.88 10 13039 186 29939243
Pneumonia 35.08 12.88 257 12792 334049 29605380
Cough 33.99 12.88 126 12923 125516 29813913
Chest discomfort 30.93 12.88 64 12985 45416 29894013
Lung hyperinflation 30.12 12.88 12 13037 838 29938591
Tachycardia 28.01 12.88 83 12966 73656 29865773
Epidural lipomatosis 26.94 12.88 8 13041 228 29939201
Lung opacity 26.40 12.88 11 13038 862 29938567
Supraventricular tachycardia 26.02 12.88 27 13022 10245 29929184
Supraventricular extrasystoles 24.25 12.88 16 13033 3228 29936201
Sputum increased 23.91 12.88 13 13036 1844 29937585
Wolff-Parkinson-White syndrome 23.66 12.88 7 13042 197 29939232
Conduction disorder 23.31 12.88 13 13036 1938 29937491
Eosinophil count increased 23.30 12.88 22 13027 7451 29931978
Dyspnoea exertional 23.08 12.88 49 13000 35381 29904048
Drug level increased 21.80 12.88 33 13016 18321 29921108
Blood count abnormal 21.57 12.88 26 13023 11626 29927803
Carbon dioxide increased 21.54 12.88 10 13039 1015 29938414
Gastrooesophageal reflux disease 21.46 12.88 45 13004 32210 29907219
Sleep disorder due to a general medical condition 20.67 12.88 11 13038 1496 29937933
Arrhythmia 20.60 12.88 45 13004 33124 29906305
Status asthmaticus 20.45 12.88 7 13042 318 29939111
Atrial fibrillation 20.27 12.88 97 12952 108027 29831402
Tachyarrhythmia 20.26 12.88 14 13035 3047 29936382
Tonic convulsion 20.06 12.88 9 13040 844 29938585
Hypoxia 19.25 12.88 55 12994 47799 29891630
Ventricular extrasystoles 18.67 12.88 24 13025 11450 29927979
Perfume sensitivity 18.02 12.88 5 13044 111 29939318
Rhinitis perennial 17.98 12.88 5 13044 112 29939317
Lipid metabolism disorder 17.89 12.88 6 13043 256 29939173
Electrocardiogram abnormal 17.71 12.88 17 13032 5875 29933554
Hypercapnia 17.47 12.88 14 13035 3810 29935619
Somnambulism 17.37 12.88 13 13036 3201 29936228
Gastrointestinal necrosis 17.11 12.88 13 13036 3276 29936153
Blood immunoglobulin E increased 16.61 12.88 10 13039 1720 29937709
Unmasking of previously unidentified disease 16.30 12.88 7 13042 591 29938838
Off label use 16.30 12.88 55 12994 249235 29690194
Ventricular arrhythmia 16.07 12.88 14 13035 4274 29935155
Accelerated idioventricular rhythm 15.96 12.88 4 13045 59 29939370
Emphysema 15.82 12.88 20 13029 9382 29930047
Vitamin D increased 15.37 12.88 4 13045 69 29939360
Pancytopenia 15.35 12.88 9 13040 85043 29854386
Electrocardiogram repolarisation abnormality 15.28 12.88 7 13042 689 29938740
Fatigue 15.24 12.88 80 12969 320593 29618836
Diarrhoea 14.98 12.88 85 12964 334018 29605411
Diverticulum intestinal haemorrhagic 14.86 12.88 10 13039 2085 29937344
Bronchial wall thickening 14.70 12.88 6 13043 446 29938983
Nikolsky's sign 14.65 12.88 5 13044 225 29939204
Febrile neutropenia 14.56 12.88 15 13034 106678 29832751
Neutropenia 14.45 12.88 21 13028 128519 29810910
Circulatory collapse 14.39 12.88 29 13020 20185 29919244
Bronchospasm 14.33 12.88 20 13029 10318 29929111
Eye infection 14.27 12.88 11 13038 2831 29936598
Small intestinal perforation 14.23 12.88 9 13040 1690 29937739
Electrocardiogram ST segment depression 13.77 12.88 10 13039 2352 29937077
Clonic convulsion 13.66 12.88 6 13043 535 29938894
Therapeutic product effect prolonged 13.59 12.88 5 13044 281 29939148
Respiratory alkalosis 13.24 12.88 8 13041 1386 29938043

Pharmacologic Action:

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
FDA CS M0023046 Xanthines
FDA EPC N0000175790 Methylxanthine
CHEBI has role CHEBI:35523 bronchodilator agents
CHEBI has role CHEBI:38147 cardiotonic drugs
MeSH PA D018927 Anti-Asthmatic 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 D058914 Purinergic Antagonists
MeSH PA D058915 Purinergic P1 Receptor Antagonists
MeSH PA D019141 Respiratory System Agents
MeSH PA D014665 Vasodilator Agents
CHEBI has role CHEBI:35620 vasodilator
CHEBI has role CHEBI:49103 drug metabolites
CHEBI has role CHEBI:49167 anti-asthmatic agents
CHEBI has role CHEBI:50218 phosphodiesterase inhibitors
CHEBI has role CHEBI:50846 biomodulator
CHEBI has role CHEBI:51371 muscle relaxants
CHEBI has role CHEBI:67079 antiinflammatory agents
CHEBI has role CHEBI:71232 adenosine receptor antagonists
CHEBI has role CHEBI:76946 fungal metabolites
CHEBI has role CHEBI:85234 human blood serum metabolites

Drug Use (View source of the data)

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
COPD Associated with Chronic Bronchitis indication
Chronic Obstructive Pulmonary Disease with Bronchospasms indication
Apnea in the newborn off-label use 13094009
Neonatal Mixed Apnea off-label use
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
Myocardial infarction contraindication 22298006 DOID:5844
Acute tuberculosis contraindication 25629007
Shock contraindication 27942005
Hyperthyroidism contraindication 34486009 DOID:7998
Depressive disorder contraindication 35489007
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:0050847
Chronic idiopathic constipation contraindication 82934008
Cor pulmonale contraindication 83291003 DOID:8515
Open-angle glaucoma contraindication 84494001 DOID:1067
Kidney disease contraindication 90708001 DOID:557
Dermatitis herpetiformis contraindication 111196000 DOID:8505
Seizure disorder contraindication 128613002
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
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
Hypertensive urgency contraindication 443482000
Smokes tobacco daily contraindication 449868002
Severe Hypoxemia contraindication
Theophylline Toxicity contraindication

Acid dissociation constants calculated using MoKa v3.0.0

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:

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:

IDSource
27Y3KJK423 UNII
4018056 VUID
N0000146397 NUI
D00227 KEGG_DRUG
317-34-0 SECONDARY_CAS_RN
4018055 VANDF
4018056 VANDF
4018129 VANDF
4018130 VANDF
4018132 VANDF
C0039771 UMLSCUI
CHEBI:28177 CHEBI
TEP PDB_CHEM_ID
CHEMBL1370561 ChEMBL_ID
2153 PUBCHEM_CID
CHEMBL190 ChEMBL_ID
DB00277 DRUGBANK_ID
DB01223 DRUGBANK_ID
CHEMBL1200578 ChEMBL_ID
D000628 MESH_DESCRIPTOR_UI
D013806 MESH_DESCRIPTOR_UI
376 INN_ID
D031210 MESH_DESCRIPTOR_UI
413 IUPHAR_LIGAND_ID
10438 RXNORM
2086 MMSL
3058 MMSL
4172 MMSL
4173 MMSL
4175 MMSL
5563 MMSL
5564 MMSL
674 MMSL
72114 MMSL
72147 MMSL
d00142 MMSL
d00758 MMSL
000602 NDDF
000603 NDDF
000607 NDDF
000608 NDDF
111131008 SNOMEDCT_US
372810006 SNOMEDCT_US
373508009 SNOMEDCT_US
387431001 SNOMEDCT_US
45940009 SNOMEDCT_US
55867006 SNOMEDCT_US
66493003 SNOMEDCT_US

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
THEOPHYLLINE HUMAN PRESCRIPTION DRUG LABEL 1 0121-0820 SOLUTION 80 mg ORAL ANDA 25 sections
Theophylline HUMAN PRESCRIPTION DRUG LABEL 1 0121-4794 SOLUTION 80 mg ORAL ANDA 25 sections
THEOPHYLLINE HUMAN PRESCRIPTION DRUG LABEL 1 0121-4820 SOLUTION 80 mg ORAL ANDA 25 sections
Theophylline in Dextrose HUMAN PRESCRIPTION DRUG LABEL 2 0264-9554 INJECTION, SOLUTION 80 mg INTRAVENOUS NDA 27 sections
Theophylline(Anhydrous) HUMAN PRESCRIPTION DRUG LABEL 1 0378-0486 TABLET, EXTENDED RELEASE 400 mg ORAL ANDA 22 sections
Theophylline(Anhydrous) HUMAN PRESCRIPTION DRUG LABEL 1 0378-0487 TABLET, EXTENDED RELEASE 600 mg ORAL ANDA 22 sections
Aminophylline HUMAN PRESCRIPTION DRUG LABEL 1 0409-5921 INJECTION, SOLUTION 25 mg INTRAVENOUS ANDA 22 sections
Aminophylline HUMAN PRESCRIPTION DRUG LABEL 1 0409-5922 INJECTION, SOLUTION 25 mg INTRAVENOUS ANDA 22 sections
Theophylline Extended Release HUMAN PRESCRIPTION DRUG LABEL 1 0615-1590 TABLET, EXTENDED RELEASE 300 mg ORAL ANDA 23 sections
Theophylline Extended Release HUMAN PRESCRIPTION DRUG LABEL 1 0615-2503 TABLET, EXTENDED RELEASE 200 mg ORAL ANDA 23 sections
Theophylline HUMAN PRESCRIPTION DRUG LABEL 1 10135-604 SOLUTION 80 mg ORAL ANDA 22 sections
Theophylline HUMAN PRESCRIPTION DRUG LABEL 1 17856-0038 SOLUTION 80 mg ORAL ANDA 13 sections
ELIXOPHYLLIN Human Prescription Drug Label 1 17856-0644 LIQUID 80 mg ORAL ANDA 21 sections
Theophylline HUMAN PRESCRIPTION DRUG LABEL 1 27808-033 SOLUTION 80 mg ORAL ANDA 13 sections
Theophylline(Anhydrous) HUMAN PRESCRIPTION DRUG LABEL 1 29033-001 TABLET, EXTENDED RELEASE 400 mg ORAL ANDA 22 sections
Theophylline(Anhydrous) HUMAN PRESCRIPTION DRUG LABEL 1 29033-002 TABLET, EXTENDED RELEASE 600 mg ORAL ANDA 22 sections
TheophyllineAnhydrous HUMAN PRESCRIPTION DRUG LABEL 1 42858-701 TABLET, EXTENDED RELEASE 400 mg ORAL ANDA 25 sections
TheophyllineAnhydrous HUMAN PRESCRIPTION DRUG LABEL 1 42858-702 TABLET, EXTENDED RELEASE 600 mg ORAL ANDA 25 sections
Theophylline Human Prescription Drug Label 1 46708-025 TABLET, EXTENDED RELEASE 300 mg ORAL ANDA 21 sections
Theophylline Human Prescription Drug Label 1 46708-026 TABLET, EXTENDED RELEASE 450 mg ORAL ANDA 21 sections
Theophylline(Anhydrous) HUMAN PRESCRIPTION DRUG LABEL 1 51407-318 TABLET, EXTENDED RELEASE 400 mg ORAL ANDA 22 sections
Theophylline(Anhydrous) HUMAN PRESCRIPTION DRUG LABEL 1 51407-319 TABLET, EXTENDED RELEASE 600 mg ORAL ANDA 22 sections
AMINOPHYLLINE HUMAN PRESCRIPTION DRUG LABEL 1 51662-1204 INJECTION, SOLUTION 25 mg INTRAVENOUS ANDA 12 sections
AMINOPHYLLINE HUMAN PRESCRIPTION DRUG LABEL 1 51662-1341 INJECTION, SOLUTION 25 mg INTRAVENOUS ANDA 12 sections
Theo-24 HUMAN PRESCRIPTION DRUG LABEL 1 52244-100 CAPSULE, EXTENDED RELEASE 100 mg ORAL ANDA 25 sections
Theo-24 HUMAN PRESCRIPTION DRUG LABEL 1 52244-200 CAPSULE, EXTENDED RELEASE 200 mg ORAL ANDA 25 sections
Theo-24 HUMAN PRESCRIPTION DRUG LABEL 1 52244-300 CAPSULE, EXTENDED RELEASE 300 mg ORAL ANDA 25 sections
Theo-24 HUMAN PRESCRIPTION DRUG LABEL 1 52244-400 CAPSULE, EXTENDED RELEASE 400 mg ORAL ANDA 25 sections
Aminophylline HUMAN PRESCRIPTION DRUG LABEL 1 52584-921 INJECTION, SOLUTION 25 mg INTRAVENOUS ANDA 12 sections
Aminophylline HUMAN PRESCRIPTION DRUG LABEL 1 52584-922 INJECTION, SOLUTION 25 mg INTRAVENOUS ANDA 12 sections