KEGG   DRUG: Theophylline
Entry
D00371                      Drug                                   
Name
Theophylline (JP18);
Elixophyllin (TN);
Quibron-t (TN);
Theo-24 (TN);
Theodur G (TN);
Theolair (TN);
Uniphyl (TN)
Product
  Generic
ELIXOPHYLLIN (Nostrum Laboratories), THEO-24 (ENDO USA), THEOPHYLLINE (ATLANTIC BIOLOGICALS CORP.), THEOPHYLLINE (Ajanta Pharma USA), THEOPHYLLINE (Alembic Pharmaceuticals Limited), THEOPHYLLINE (Alembic Pharmaceuticals), THEOPHYLLINE (Amneal Pharmaceuticals NY LLC), THEOPHYLLINE (AvKARE), THEOPHYLLINE (Bionpharma Inc.,), THEOPHYLLINE (Bryant Ranch Prepack), THEOPHYLLINE (Camber Pharmaceuticals), THEOPHYLLINE (Chartwell RX), THEOPHYLLINE (Chartwell RX), THEOPHYLLINE (Cranbury Pharmaceuticals), THEOPHYLLINE (Glenmark Pharmaceuticals), THEOPHYLLINE (Glenmark Pharmaceuticals), THEOPHYLLINE (Golden State Medical Supply), THEOPHYLLINE (Harman Finochem Limited), THEOPHYLLINE (Heritage Pharmaceuticals Inc. d/b/a Avet Pharmaceuticals), THEOPHYLLINE (Leading Pharma), THEOPHYLLINE (Nostrum Laboratories), THEOPHYLLINE (Nostrum Laboratories), THEOPHYLLINE (PAI Holdings), THEOPHYLLINE (PD-Rx Pharmaceuticals), THEOPHYLLINE (PD-Rx Pharmaceuticals), THEOPHYLLINE (Rhodes Pharmaceuticals L.P.), THEOPHYLLINE (Strides Pharma Science Limited), THEOPHYLLINE (Sun Pharmaceutical Industries Limited), THEOPHYLLINE (Teva Pharmaceuticals), THEOPHYLLINE (Viona Pharmaceuticals), THEOPHYLLINE (Zydus Lifesciences Limited)
Formula
C7H8N4O2
Exact mass
180.0647
Mol weight
180.16
Structure
Simcomp
Class
Respiratory system agent
 DG01616  Xanthine derivative
  DG01609  Xanthine-type bronchodilator
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
Remark
Same as: C07130
Therapeutic category: 2251
ATC code: R03DA04
Chemical structure group: DG01061
Product (DG01061): D00371<JP/US>
Efficacy
Bronchodilator, Phosphodiesterase inhibitor
  Disease
Chronic asthma [DS:H00079]
Comment
Xanthine derivative
Target
ADORA1 [HSA:134] [KO:K04265]
ADORA2B [HSA:136] [KO:K04267]
PDE [HSA:10846 27115 50940 5136 5137 5138 5139 5140 5141 5142 5143 5144 5150 5151 5153 8622] [KO:K18438 K18436 K13298 K13755 K18283 K19021 K13296 K13293 K18437]
  Pathway
hsa04020  Calcium signaling pathway
hsa04022  cGMP-PKG signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
Metabolism
Enzyme: CYP1A2 [HSA:1544]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
   R03D OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
    R03DA Xanthines
     R03DA04 Theophylline
      D00371  Theophylline (JP18) <JP/US>
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Phosphodiesterase Inhibitors, Airways Disease
   Theophylline
    D00371  Theophylline (JP18)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  22  Respiratory organ agents
   225  Bronchodilators
    2251  Xanthines
     D00371  Theophylline (JP18)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for respiratory organs
  26 Antitussives and expectorants
   D00371  Theophylline (JP18)
Risk category of Japanese OTC drugs [BR:br08312]
 First-class OTC drugs
  Inorganic and organic chemicals
   Theophylline
    D00371  Theophylline (JP18)
Drug groups [BR:br08330]
 Respiratory system agent
  DG01616  Xanthine derivative
   DG01609  Xanthine-type bronchodilator
    DG01061  Theophylline
     D00371  Theophylline
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG01061  Theophylline
    D00371  Theophylline
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    ADORA1
     D00371  Theophylline (JP18) <JP/US>
    ADORA2B
     D00371  Theophylline (JP18) <JP/US>
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterases
    PDE
     D00371  Theophylline (JP18) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00371  Theophylline
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00371
Drug groups [BR:br08330]
 Respiratory system agent
  DG01616  Xanthine derivative
   DG01609  Xanthine-type bronchodilator
    DG01061  Theophylline
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG01061  Theophylline
Other DBs
CAS: 58-55-9
PubChem: 7847437
ChEBI: 28177
PDB-CCD: TEP[PDBj]
LigandBox: D00371
NIKKAJI: J2.333G
LinkDB
KCF data

ATOM        13
            1   C8y C    24.1848  -17.2082
            2   C8y C    24.1848  -18.6318
            3   C8y C    25.3867  -16.5023
            4   N4x N    22.8837  -16.7764
            5   N4y N    25.3867  -19.3144
            6   N5x N    22.8837  -19.0636
            7   N4y N    26.6061  -17.2374
            8   O5x O    25.3867  -15.1253
            9   C8x C    22.0669  -17.9317
            10  C8y C    26.6061  -18.5794
            11  C1a C    25.3867  -20.7440
            12  C1a C    27.8547  -16.5606
            13  O5x O    27.8547  -19.2794
BOND        14
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    7  12 1
            12   10  13 2
            13    6   9 2
            14    7  10 1

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