KEGG   DRUG: Deslanoside
Entry
D01240                      Drug                                   

Name
Deslanoside (JP17/USP/INN);
Cedilanid-d (TN)
Formula
C47H74O19
Exact mass
942.4824
Mol weight
943.0791
Structure
Simcomp
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01698  Cardiac glycoside
   DG01697  Digitalis cardiac glycoside
 DG01653  Antiarrhythmics
Remark
Same as: C12669
Therapeutic category: 2113
ATC code: C01AA07
Product: D01240<JP>
Efficacy
Cardiotonic
Comment
Digitalis glycoside
Target
ATP1A [HSA:476 477 478 480] [KO:K01539]
  Pathway
hsa04260  Cardiac muscle contraction
hsa04261  Adrenergic signaling in cardiomyocytes
Interaction
Structure map
map07233  Ion transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01A CARDIAC GLYCOSIDES
    C01AA Digitalis glycosides
     C01AA07 Deslanoside
      D01240  Deslanoside (JP17/USP/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   211  Cardiotonics
    2113  Digitalis
     D01240  Deslanoside (JP17/USP/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   ATPase
    ATP1A
     D01240  Deslanoside (JP17/USP/INN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01240  Deslanoside
  D01240  Deslanoside injection
Other DBs
CAS: 17598-65-1
PubChem: 7848303
ChEBI: 31468
ChEMBL: CHEMBL1614
DrugBank: DB01078
LigandBox: D01240
NIKKAJI: J4.081I
LinkDB
KCF data

ATOM        66
            1   C1y C    10.5000  -19.0400
            2   C1x C    10.5000  -17.6400
            3   C1y C     9.3100  -16.8700
            4   C1y C     8.0500  -17.5700
            5   C1y C     8.0500  -19.0400
            6   O2x O     9.3100  -19.7400
            7   O1a O     9.3100  -15.4700
            8   O2a O     6.8600  -16.8700
            9   C1a C     6.8600  -19.7400
            10  C1y C    15.4000  -17.6400
            11  O2x O    14.2100  -16.8700
            12  C1y C    12.9500  -17.6400
            13  C1y C    12.9500  -19.0400
            14  C1y C    14.1400  -19.7400
            15  C1x C    15.4000  -19.0400
            16  C1z C    28.7000  -16.9400
            17  C1y C    27.5100  -17.7100
            18  C1z C    28.7000  -15.5400
            19  C1y C    26.3200  -16.9400
            20  C1x C    27.5100  -19.0400
            21  C1y C    27.5100  -14.9100
            22  C1z C    25.1300  -17.6400
            23  C1x C    26.3200  -15.5400
            24  C1x C    26.3200  -19.7400
            25  C1y C    25.1300  -19.0400
            26  C1x C    23.8700  -16.9400
            27  C1a C    25.1300  -16.3100
            28  C1x C    23.8700  -19.7400
            29  C1x C    22.6800  -17.6400
            30  C1y C    22.6800  -19.0400
            31  O1a O    27.5100  -13.5100
            32  O2a O    21.4900  -19.7400
            33  C1y C    20.3000  -19.0400
            34  C1x C    20.3000  -17.6400
            35  C1y C    19.0400  -16.8700
            36  C1y C    17.8500  -17.6400
            37  C1y C    17.8500  -19.0400
            38  O2x O    19.0400  -19.7400
            39  O1a O    19.0400  -15.4700
            40  O2a O    16.5900  -16.8700
            41  C1a C    16.5900  -19.7400
            42  C1a C    11.6900  -16.8700
            43  O2a O    11.6900  -19.7400
            44  O1a O    14.1400  -21.1400
            45  C1y C     6.8600  -15.4700
            46  O2x O     8.0500  -14.7700
            47  C1y C     8.0500  -13.3700
            48  C1y C     6.8600  -12.6700
            49  C1y C     5.6000  -13.3700
            50  C1y C     5.6000  -14.7700
            51  O1a O     4.4100  -12.6000
            52  C1b C     9.3100  -12.6700
            53  O1a O     4.3400  -15.4700
            54  O1a O     6.8600  -11.2700
            55  O1a O    10.5000  -13.3700
            56  O1a O    28.7000  -18.4100
            57  C1x C    31.1500  -16.9400
            58  C1x C    31.1500  -15.5400
            59  C1y C    29.8900  -14.8400
            60  C1a C    28.7000  -14.1400
            61  C2y C    29.8900  -13.4400
            62  C2x C    31.3600  -13.4400
            63  C7x C    31.7800  -12.0400
            64  O7x O    30.5900  -11.2000
            65  C1x C    29.4700  -12.1100
            66  O6a O    33.1100  -11.6200
BOND        74
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     3   7 1 #Up
            8     4   8 1 #Up
            9     5   9 1 #Down
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   10  15 1
            16   16  17 1
            17   16  18 1
            18   17  19 1
            19   17  20 1
            20   18  21 1
            21   19  22 1
            22   19  23 1
            23   20  24 1
            24   22  25 1
            25   22  26 1
            26   22  27 1 #Up
            27   25  28 1
            28   26  29 1
            29   28  30 1
            30   21  23 1
            31   24  25 1
            32   29  30 1
            33   21  31 1 #Up
            34   33  32 1 #Down
            35   33  34 1
            36   34  35 1
            37   35  36 1
            38   36  37 1
            39   37  38 1
            40   33  38 1
            41   30  32 1 #Up
            42   35  39 1 #Up
            43   36  40 1 #Up
            44   37  41 1 #Down
            45   10  40 1 #Up
            46   12  42 1 #Up
            47   13  43 1 #Down
            48   14  44 1 #Down
            49    1  43 1 #Down
            50   45   8 1 #Up
            51   45  46 1
            52   46  47 1
            53   47  48 1
            54   48  49 1
            55   49  50 1
            56   45  50 1
            57   49  51 1 #Up
            58   47  52 1 #Up
            59   50  53 1 #Down
            60   48  54 1 #Down
            61   52  55 1
            62   16  56 1 #Up
            63   16  57 1
            64   57  58 1
            65   58  59 1
            66   18  59 1
            67   18  60 1 #Up
            68   59  61 1 #Up
            69   61  62 2
            70   62  63 1
            71   63  64 1
            72   64  65 1
            73   63  66 2
            74   61  65 1

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