KEGG   DRUG: DeslanosideHelp
Entry
D01240                      Drug                                   

Name
Deslanoside (JP17/USP/INN);
Cedilanid-d (TN)
Formula
C47H74O19
Exact mass
942.4824
Mol weight
943.0791
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01698  Cardiac glycoside
   DG01697  Digitalis cardiac glycoside
 DG01653  Antiarrhythmics
Remark
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
Drug 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
Drug classes of therapeutic agents [br08360.html]
 Cardiovascular agents
  D01240
BRITE hierarchy
Other DBs
CAS: 17598-65-1
PubChem: 7848303
ChEBI: 31468
ChEMBL: CHEMBL1614
DrugBank: DB01078
LigandBox: D01240
NIKKAJI: J4.081I
LinkDB All DBs
KCF data Show

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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