KEGG   DRUG: D00371Help
Entry
D00371                      Drug                                   

Name
Theophylline (JP16);
Elixophyllin (TN);
Quibron-t (TN);
Theo-24 (TN);
Theodur G (TN);
Theolair (TN);
Uniphyl (TN)
Product
  Generic
THEOPHYLLINE (Bryant Ranch Prepack), THEOPHYLLINE (Bryant Ranch Prepack), THEOPHYLLINE (Cardinal Health), THEOPHYLLINE (Glenmark Generics), THEOPHYLLINE (Heritage Pharmaceuticals), THEOPHYLLINE (Major Pharmaceuticals), THEOPHYLLINE (Nostrum Laboratories), THEOPHYLLINE(ANHYDROUS) (PACK Pharmaceuticals), THEOPHYLLINE (Physicians Total Care), THEOPHYLLINE (Pliva), THEOPHYLLINE (REMEDYREPACK), THEOPHYLLINE (REMEDYREPACK), THEOPHYLLINE (Rhodes Pharmaceuticals L.P.), THEOPHYLLINE (Silarx Pharmaceuticals), THEOPHYLLINE (State of Florida DOH Central Pharmacy), THEOPHYLLINE (Tris Pharma), ELIXOPHYLLIN (Atlantic Biologicals Corps), ELIXOPHYLLIN (Caraco Pharma), THEOPHYLLINE (Pharmaceutical Associates), UNIPHYL (Purdue Pharmaceutical Products LP), THEO-24 (UCB), THEO-24 (Cardinal Health), THEOPHYLLINE EXTENDED RELEASE (NCS HealthCare of KY), THEOPHYLLINE EXTENDED RELEASE (NCS HealthCare of KY)
Formula
C7H8N4O2
Exact mass
180.0647
Mol weight
180.164
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Bronchodilator [DS:H00079]
Remark
Same as: 
Therapeutic category: 
ATC code: 
Comment
Xanthines
Target
adenosine A1 receptor antagonist [HSA:134] [KO:K04265];
adenosine A2a receptor antagonist [HSA:135] [KO:K04266];
phosphodiesterase (PDE) inhibitor [HSA:10846 27115 50940 5136 5137 5138 5139 5140 5141 5142 5143 5144 5150 5151 5153 8622] [KO:K01120 K13298 K13755 K13296]
  Pathway
hsa00230  Purine metabolism
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction  
 
Metabolism
Enzyme: CYP1A2 [HSA:1544], CYP2E1 [HSA:1571]
Interaction
Drug interaction
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  22  Respiratory organ agents
   225  Bronchodilators
    2251  Xanthines
     D00371  Theophylline (JP16)
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 (JP16)
USP drug classification [BR:br08302]
 Respiratory Tract Agents
  Bronchodilators, Phosphodiesterase Inhibitors (Xanthines)
   Theophylline
    D00371  Theophylline (JP16)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    adenosine A1 receptor [HSA:134] [KO:K04265]
     Theophylline [ATC:R03DA04]
      D00371  Theophylline (JP16)
    adenosine A2a receptor [HSA:135] [KO:K04266]
     Theophylline [ATC:R03DA04]
      D00371  Theophylline (JP16)
 Enzymes
  Hydrolases
   phosphodiesterase (PDE) [HSA:10846 27115 50940 5136 5137 5138 5139 5140 5141 5142 5143 5144 5150 5151 5153 8622] [KO:K01120 K13296 K13298 K13755]
    Theophylline [ATC:R03DA04]
     D00371  Theophylline (JP16)
BRITE hierarchy
Other DBs
CAS: 
58-55-9
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
KCF data Show

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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