KEGG   DRUG: Aminophylline dihydrate
Entry
D11630                      Drug                                   
Name
Aminophylline dihydrate
Product
  Generic
AMINOPHYLLINE (HF Acquisition Co LLC), AMINOPHYLLINE (HF Acquisition Co LLC), AMINOPHYLLINE (Henry Schein), AMINOPHYLLINE (Henry Schein), AMINOPHYLLINE (Hospira), AMINOPHYLLINE (Medical Purchasing Solutions), AMINOPHYLLINE (Medical Purchasing Solutions)
Formula
(C7H8N4O2)2. C2H8N2. 2H2O
Exact mass
456.2193
Mol weight
456.4569
Structure
Class
Respiratory system agent
 DG01616  Xanthine derivative
  DG01609  Xanthine-type bronchodilator
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
Remark
ATC code: R03DA05
Chemical structure group: DG01062
Product (DG01062): D05429<JP> D11630<US>
Efficacy
Bronchodilator, Cardiotonic, Phosphodiesterase inhibitor
  Disease
Asthma [DS:H00079]
Emphysema [DS:H01714]
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
     R03DA05 Aminophylline
      D11630  Aminophylline dihydrate <US>
Drug groups [BR:br08330]
 Respiratory system agent
  DG01616  Xanthine derivative
   DG01609  Xanthine-type bronchodilator
    DG01062  Aminophylline
     D11630  Aminophylline dihydrate
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG01062  Aminophylline
    D11630  Aminophylline dihydrate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    ADORA1
     D11630  Aminophylline dihydrate <US>
    ADORA2B
     D11630  Aminophylline dihydrate <US>
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterases
    PDE
     D11630  Aminophylline dihydrate <US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11630
Drug groups [BR:br08330]
 Respiratory system agent
  DG01616  Xanthine derivative
   DG01609  Xanthine-type bronchodilator
    DG01062  Aminophylline
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG01062  Aminophylline
Other DBs
CAS: 5897-66-5
PubChem: 405226497
LinkDB
KCF data

ATOM        32
            1   C8y C    10.6400  -15.6800
            2   C8y C    10.6400  -17.0800
            3   C8y C    11.8300  -14.9800
            4   N4x N     9.2400  -15.2600
            5   N4y N    11.8300  -17.7800
            6   N5x N     9.3100  -17.5000
            7   N4y N    13.0200  -15.6800
            8   O5x O    11.8300  -13.5800
            9   C8x C     8.4700  -16.3800
            10  C8y C    13.0200  -17.0800
            11  C1a C    11.8300  -19.1800
            12  C1a C    14.2800  -14.9800
            13  O5x O    14.2800  -17.7800
            14  C1b C    20.8600  -13.8600
            15  C1b C    22.0500  -14.5600
            16  N1a N    19.6700  -14.5600
            17  N1a N    23.3100  -13.8600
            18  O0  O    22.1200  -18.6200
            19  C8y C    10.6400  -15.6800
            20  C8y C    10.6400  -17.0800
            21  N4y N    11.8300  -17.7800
            22  C8y C    13.0200  -17.0800
            23  O5x O    14.2800  -17.7800
            24  N4y N    13.0200  -15.6800
            25  C8y C    11.8300  -14.9800
            26  O5x O    11.8300  -13.5800
            27  C1a C    14.2800  -14.9800
            28  C1a C    11.8300  -19.1800
            29  N5x N     9.3100  -17.5000
            30  C8x C     8.4700  -16.3800
            31  N4x N     9.2400  -15.2600
            32  O0  O    22.1200  -18.6200
BOND        31
            1    14  15 1
            2    14  16 1
            3    15  17 1
            4     1   2 2
            5     1   3 1
            6     1   4 1
            7     2   5 1
            8     2   6 1
            9     3   7 1
            10    3   8 2
            11    4   9 1
            12    5  10 1
            13    5  11 1
            14    7  12 1
            15   10  13 2
            16    6   9 2
            17    7  10 1
            18   19  20 2
            19   19  25 1
            20   19  31 1
            21   20  21 1
            22   20  29 1
            23   25  24 1
            24   25  26 2
            25   31  30 1
            26   21  22 1
            27   21  28 1
            28   24  27 1
            29   22  23 2
            30   29  30 2
            31   24  22 1
BRACKET     1     7.6300  -19.8100    7.6300  -12.5300
            1    15.6100  -12.5300   15.6100  -19.8100
            1  2
 ORIGINAL  1    1   2   5  10  13   7   3   8  12  11   6   9   4
 REPEAT    1   19  20  21  22  23  24  25  26  27  28  29  30  31
            2    20.0900  -19.4600   20.0900  -17.5700
            2    23.1000  -17.5700   23.1000  -19.4600
            2  2
 ORIGINAL  2   18
 REPEAT    2   32

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