Theophylline sodium glycinate


Entry
D06104                      Drug                                   
Name
Theophylline sodium glycinate (USP);
Asbron (TN)
Formula
C7H8N4O2. C2H4NO2. Na
Exact mass
277.0787
Mol weight
277.2124
Structure
Simcomp
Class
Respiratory system agent
 DG01616  Xanthine derivative
  DG01609  Xanthine-type bronchodilator
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
Remark
ATC code: R03DA04
Chemical structure group: DG01061
Product (DG01061): D00371<JP/US>
Efficacy
Bronchodilator, Smooth muscle relaxant, Phosphodiesterase inhibitor
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
      D06104  Theophylline sodium glycinate (USP)
Drug groups [BR:br08330]
 Respiratory system agent
  DG01616  Xanthine derivative
   DG01609  Xanthine-type bronchodilator
    DG01061  Theophylline
     D06104  Theophylline sodium glycinate
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG01061  Theophylline
    D06104  Theophylline sodium glycinate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    ADORA1
     D06104  Theophylline sodium glycinate (USP)
    ADORA2B
     D06104  Theophylline sodium glycinate (USP)
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterases
    PDE
     D06104  Theophylline sodium glycinate (USP)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D06104
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: 8000-10-0
PubChem: 47207762
LigandBox: D06104
NIKKAJI: J1.591.929I
KCF data

ATOM        19
            1   C8y C    10.8848  -16.0882
            2   C8y C    10.8848  -17.5118
            3   C8y C    12.0867  -15.3823
            4   N4x N     9.5837  -15.6564
            5   N4y N    12.0867  -18.1944
            6   N5x N     9.5837  -17.9436
            7   N4y N    13.3061  -16.1174
            8   O5x O    12.0867  -14.0053
            9   C8x C     8.7669  -16.8117
            10  C8y C    13.3061  -17.4594
            11  C1a C    12.0867  -19.6240
            12  C1a C    14.5546  -15.4406
            13  O5x O    14.5546  -18.1594
            14  O6a O    17.2705  -16.9413 #-
            15  C6a C    18.4784  -16.2439
            16  C1b C    19.6864  -16.9413
            17  O6a O    18.4784  -14.8493
            18  N1a N    20.9124  -16.2332
            19  Z   Na   17.0800  -18.7600 #+
BOND        18
            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
            15   14  15 1
            16   15  16 1
            17   15  17 2
            18   16  18 1