KEGG   DRUG: Bucladesine sodiumHelp
Entry
D01238                      Drug                                   

Name
Bucladesine sodium (JAN);
Actosin (TN)
Formula
C18H23N5O8P. Na
Exact mass
491.1182
Mol weight
491.3675
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01703  Cardiotonic
Remark
Therapeutic category: 2119 2699
ATC code: C01CE04
Chemical structure group: DG00230
Product (DG00230): D01238<JP>
Efficacy
Anti-ulcerative (skin), Cardiotonic, Phosphodiesterase inhibitor
Comment
Cyclic AMP derivative
Target
  Pathway
hsa04020  Calcium signaling pathway
hsa04022  cGMP-PKG signaling pathway
hsa04024  cAMP signaling pathway
hsa04371  Apelin signaling pathway
hsa04910  Insulin signaling pathway
hsa04922  Glucagon signaling pathway
hsa04923  Regulation of lipolysis in adipocytes
hsa04925  Aldosterone synthesis and secretion
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
    C01CE Phosphodiesterase inhibitors
     C01CE04 Bucladesine
      D01238  Bucladesine sodium (JAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   211  Cardiotonics
    2119  Others
     D01238  Bucladesine sodium (JAN)
  26  Epidermides
   269  Miscellaneous
    2699  Others
     D01238  Bucladesine sodium (JAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterases
    PDE
     D01238  Bucladesine sodium (JAN) <JP>
BRITE hierarchy
Other DBs
CAS: 16980-89-5
PubChem: 7848301
ChEBI: 31313
ChEMBL: CHEMBL1522836
LigandBox: D01238
NIKKAJI: J318.316E
KCF data Show

ATOM        33
            1   C8y C    26.7279  -11.4252
            2   N5x N    27.4398  -12.6360
            3   C1b C    29.5370  -11.4028
            4   C5a C    28.8250  -10.1920
            5   N1b N    27.4204  -10.2031
            6   C1y C    20.1522  -14.0671
            7   C1y C    19.7826  -12.7028
            8   C1x C    18.4164  -12.3407
            9   O2x O    17.4198  -13.3428
            10  P1b P    17.7892  -14.7070
            11  O2x O    19.1554  -15.0691
            12  C1y C    21.5622  -14.0681
            13  C1y C    22.0001  -12.6599
            14  O2x O    20.8588  -11.9009
            15  C8y C    24.6374  -12.6614
            16  N5x N    25.3494  -13.8721
            17  C8x C    26.7540  -13.8610
            18  C8y C    25.3300  -11.4395
            19  C8x C    23.2972  -10.8361
            20  N4y N    23.3088  -12.2349
            21  N5x N    24.6261  -10.3965
            22  O1c O    16.3793  -14.7065
            23  O1c O    17.7790  -16.1134 #-
            24  O7a O    22.2553  -15.2820
            25  O5a O    29.5126   -8.9715
            26  C7a C    21.5459  -16.4970
            27  C1b C    22.2435  -17.7187
            28  O6a O    20.1390  -16.4902
            29  C1b C    23.6599  -17.7256
            30  C1a C    24.3473  -18.9297
            31  C1b C    30.9399  -11.3915
            32  C1a C    31.6577  -12.6120
            33  Z   Na   17.6395  -17.5110 #+
BOND        35
            1     6   7 1
            2    15  16 1
            3    16  17 2
            4    17   2 1
            5     1  18 1
            6    18  15 2
            7     7   8 1 #Up
            8     8   9 1
            9     9  10 1
            10   19  20 1
            11   20  15 1
            12   18  21 1
            13   21  19 2
            14   13  20 1 #Up
            15   10  11 1
            16   10  22 2
            17    6  11 1 #Down
            18   10  23 1
            19   12  24 1 #Down
            20    4  25 2
            21    1   2 2
            22   12  13 1
            23   13  14 1
            24   24  26 1
            25   14   7 1
            26   26  27 1
            27    6  12 1
            28    3   4 1
            29    4   5 1
            30   26  28 2
            31    5   1 1
            32   27  29 1
            33   29  30 1
            34    3  31 1
            35   31  32 1

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