Entry

D00371                      Drug

Name

Theophylline (JP18);
Elixophyllin (TN);
Quibron-t (TN);
Theo-24 (TN);
Theodur G (TN);
Theolair (TN);
Uniphyl (TN)

Product

Generic

THEOPHYLLINE (ATLANTIC BIOLOGICALS CORP.), THEOPHYLLINE (Alembic Pharmaceuticals), THEOPHYLLINE (Alembic Pharmaceuticals Limited), THEOPHYLLINE (American Health Packaging), THEOPHYLLINE (Bryant Ranch Prepack), THEOPHYLLINE (Glenmark Pharmaceuticals), THEOPHYLLINE (Glenmark Pharmaceuticals), THEOPHYLLINE (Golden State Medical Supply), THEOPHYLLINE (Heritage Pharmaceuticals Inc. d/b/a Avet Pharmaceuticals), THEOPHYLLINE (Lannett Company), THEOPHYLLINE (Nostrum Laboratories), THEOPHYLLINE (Pharmaceutical Associates), THEOPHYLLINE (Tris Pharma), THEO-24 (Endo Pharmaceuticals), ELIXOPHYLLIN (Nostrum Laboratories)

Formula

C7H8N4O2

Exact mass

180.0647

Mol weight

180.164

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

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