KEGG   DRUG: Xamoterol fumarateHelp
Entry
D06329                      Drug                                   

Name
Xamoterol fumarate (USAN)
Formula
(C16H25N3O5)2. C4H4O4
Exact mass
794.3698
Mol weight
794.8458
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01703  Cardiotonic
Remark
ATC code: 
Chemical group: 
Activity
Cardiotonic, beta1-Adrenergic receptor partial agonist
Target
beta1-adrenergic receptor [HSA:153] [KO:K04141]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
Salivary secretion
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
    C01CX Other cardiac stimulants
     C01CX07 Xamoterol
      D06329  Xamoterol fumarate (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Xamoterol
      D06329  Xamoterol fumarate (USAN)
BRITE hierarchy
Other DBs
CAS: 
90730-93-1
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        56
            1   C1b C    15.7393   -8.7103
            2   N1b N    16.9582   -8.0073
            3   C5a C    18.1711   -8.6986
            4   N1y N    19.3898   -8.0014
            5   C1x C    20.6027   -8.6986
            6   C1x C    19.3898   -6.5951
            7   C1x C    21.8214   -8.0014
            8   C1x C    20.6027   -5.8862
            9   O2x O    21.8214   -6.5951
            10  O5a O    18.1722  -10.0864
            11  C1b C    14.4913   -7.9897
            12  N1b N    13.3009   -8.6769
            13  C1b C    12.1044   -7.9858
            14  C1c C    10.9106   -8.6749
            15  C1b C     9.7159   -7.9849
            16  O1a O    10.9103  -10.0862
            17  O2a O     8.5212   -8.6744
            18  C8y C     7.3268   -7.9846
            19  C8x C     7.3269   -6.5732
            20  C8x C     6.1100   -5.8704
            21  C8y C     4.8928   -6.5730
            22  C8x C     4.8926   -7.9844
            23  C8x C     6.1097   -8.6872
            24  O1a O     3.6763   -5.8705
            25  C6a C    25.6675   -6.9992
            26  C2b C    26.8786   -7.7012
            27  O6a O    24.4565   -7.7012
            28  O6a O    25.6675   -5.6011
            29  C2b C    28.0953   -6.9992
            30  C6a C    29.3063   -7.7012
            31  O6a O    30.5173   -6.9992
            32  O6a O    29.3063   -9.0993
            33  C1b C    15.7393   -8.7103
            34  N1b N    16.9582   -8.0073
            35  C5a C    18.1711   -8.6986
            36  N1y N    19.3898   -8.0014
            37  C1x C    20.6027   -8.6986
            38  C1x C    21.8214   -8.0014
            39  O2x O    21.8214   -6.5951
            40  C1x C    20.6027   -5.8862
            41  C1x C    19.3898   -6.5951
            42  O5a O    18.1722  -10.0864
            43  C1b C    14.4913   -7.9897
            44  N1b N    13.3009   -8.6769
            45  C1b C    12.1044   -7.9858
            46  C1c C    10.9106   -8.6749
            47  C1b C     9.7159   -7.9849
            48  O2a O     8.5212   -8.6744
            49  C8y C     7.3268   -7.9846
            50  C8x C     7.3269   -6.5732
            51  C8x C     6.1100   -5.8704
            52  C8y C     4.8928   -6.5730
            53  C8x C     4.8926   -7.9844
            54  C8x C     6.1097   -8.6872
            55  O1a O     3.6763   -5.8705
            56  O1a O    10.9103  -10.0862
BOND        57
            1    25  26 1
            2    25  27 1
            3    25  28 2
            4    26  29 2
            5    29  30 1
            6    30  31 1
            7    30  32 2
            8     1   2 1
            9     2   3 1
            10    3   4 1
            11    4   5 1
            12    4   6 1
            13    5   7 1
            14    6   8 1
            15    7   9 1
            16    8   9 1
            17    3  10 2
            18    1  11 1
            19   11  12 1
            20   12  13 1
            21   13  14 1
            22   14  15 1
            23   14  16 1
            24   15  17 1
            25   17  18 1
            26   18  19 2
            27   19  20 1
            28   20  21 2
            29   21  22 1
            30   22  23 2
            31   18  23 1
            32   21  24 1
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   36  41 1
            38   37  38 1
            39   41  40 1
            40   38  39 1
            41   40  39 1
            42   35  42 2
            43   33  43 1
            44   43  44 1
            45   44  45 1
            46   45  46 1
            47   46  47 1
            48   46  56 1
            49   47  48 1
            50   48  49 1
            51   49  50 2
            52   50  51 1
            53   51  52 2
            54   52  53 1
            55   53  54 2
            56   49  54 1
            57   52  55 1
BRACKET     1     2.1000  -10.6400    2.1000   -4.7600
            1    22.5400   -4.7600   22.5400  -10.6400
            1  2
 ORIGINAL  1    1   2   3   4   5   7   9   8   6  10  11  12  13  14  15  17
            1   18  19  20  21  22  23  24  16
 REPEAT    1   33  34  35  36  37  38  39  40  41  42  43  44  45  46  47  48
            1   49  50  51  52  53  54  55  56

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