KEGG   DRUG: Aminophylline dihydrateHelp
Entry
D11630                      Drug                                   

Name
Aminophylline dihydrate
Product
  Generic
Formula
(C7H8N4O2)2. C2H8N2. 2H2O
Exact mass
456.2193
Mol weight
456.4569
Structure
Mol fileKCF fileDB search
Remark
Chemical structure group: DG01062
Product (DG01062): D05429<JP> D11630<US>
Efficacy
Bronchodilator, Cardiotonic, Phosphodiesterase inhibitor
Target
  Pathway
hsa04020  Calcium signaling pathway
hsa04022  cGMP-PKG signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
Interaction
Drug interaction
Brite
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>
BRITE hierarchy
Other DBs
CAS: 5897-66-5
LinkDB All DBs
KCF data Show

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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