KEGG   DRUG: Bucladesine
Entry
D07546                      Drug                                   
Name
Bucladesine (INN)
Formula
C18H24N5O8P
Exact mass
469.1362
Mol weight
469.3856
Structure
Simcomp
Class
Cardiovascular agent
 DG01703  Cardiotonic
Remark
ATC code: C01CE04
Chemical structure group: DG00230
Product (DG00230): D01238<JP>
Efficacy
Cardiotonic, Phosphodiesterase inhibitor
Comment
Cyclic AMP derivative
Target
PDE [HSA:10846 27115 50940 5136 5137 5138 5139 5140 5141 5142 5143 5144 5150 5151 5153 8622] [KO:K18438 K18436 K13298 K13755 K18283 K19021 K13296 K13293 K18437]
  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
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
      D07546  Bucladesine (INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01703  Cardiotonic
   DG00230  Bucladesine
    D07546  Bucladesine
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterases
    PDE
     D07546  Bucladesine (INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01703  Cardiotonic
   DG00230  Bucladesine
Other DBs
CAS: 362-74-3
PubChem: 51091868
ChEBI: 50095
LigandBox: D07546
NIKKAJI: J33.134A
KCF data

ATOM        32
            1   C8y C    26.8800  -15.4000
            2   N5x N    27.5800  -16.6600
            3   C1b C    29.6800  -15.4000
            4   C5a C    28.9800  -14.2100
            5   N1b N    27.5800  -14.2100
            6   C1y C    20.3000  -18.0600
            7   C1y C    19.9500  -16.6600
            8   C1x C    18.5500  -16.3100
            9   O2x O    17.5700  -17.3600
            10  P1b P    17.9200  -18.6900
            11  O2x O    19.3200  -19.0400
            12  C1y C    21.7000  -18.0600
            13  C1y C    22.1200  -16.6600
            14  O2x O    21.0000  -15.8900
            15  C8y C    24.7800  -16.6600
            16  N5x N    25.4800  -17.8500
            17  C8x C    26.8800  -17.8500
            18  C8y C    25.4800  -15.4000
            19  C8x C    23.4500  -14.8400
            20  N4y N    23.4500  -16.2400
            21  N5x N    24.7800  -14.4200
            22  O1c O    16.5200  -18.6900
            23  O1c O    17.9200  -20.0900
            24  O7a O    22.4000  -19.2500
            25  O5a O    29.6800  -12.9500
            26  C7a C    21.7000  -20.5100
            27  C1b C    22.4000  -21.7000
            28  O6a O    20.3000  -20.5100
            29  C1b C    23.8000  -21.7000
            30  C1a C    24.5000  -22.8900
            31  C1b C    31.0800  -15.4000
            32  C1a C    31.7800  -16.5900
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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  All links  
Ontology (3)   
   KEGG BRITE (3)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
Gene (25)   
   KEGG ORTHOLOGY (9)   
   KEGG GENES (16)   
All databases (33)   

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