KEGG   DRUG: D04184Help
Entry
D04184                      Drug                                   

Name
Fiduxosin hydrochloride (USAN)
Formula
C30H29N5O4S. HCl
Exact mass
591.1707
Mol weight
592.1083
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of benign prostatic hyperplasia [alpha1a-adrenoceptor antagonist]
Target
alpha1a-adrenergic receptor antagonist [HSA:148] [KO:K04135]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
hsa04970  Salivary secretion  
 
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1a-adrenergic receptor [HSA:148] [KO:K04135]
     Fiduxosin
      D04184  Fiduxosin hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
208992-74-9
PubChem: 
LigandBox: 
KCF data Show

ATOM        41
            1   C8x C     5.3703   -2.9865
            2   C8y C     5.3703   -4.3849
            3   N5x N     6.5589   -5.0840
            4   C8y C     7.8173   -4.3849
            5   C8y C     7.8173   -2.9865
            6   N5x N     6.5589   -2.2874
            7   C8y C     9.1458   -4.8043
            8   C8y C     9.9148   -3.6857
            9   S2x S     9.1458   -2.5670
            10  C8y C    11.3132   -3.6857
            11  N4y N    12.0124   -4.8743
            12  C8y C    11.3132   -6.0629
            13  N4x N     9.9148   -6.0629
            14  C8y C     4.1588   -5.0778
            15  C8x C     2.9424   -4.3687
            16  C8x C     1.7270   -5.0636
            17  C8x C     1.7211   -6.4636
            18  C8x C     2.9376   -7.1727
            19  C8x C     4.1529   -6.4778
            20  O5x O    12.0044   -2.4777
            21  O5x O    12.0263   -7.3102
            22  C1b C    13.4124   -4.8743
            23  C1b C    14.1302   -6.1181
            24  C1b C    15.5397   -6.1185
            25  C1b C    16.2271   -7.3098
            26  N1y N    17.6397   -7.3104
            27  C1x C    18.4479   -8.4234
            28  C1y C    19.7562   -7.9986
            29  C1y C    19.7565   -6.6231
            30  C1x C    18.4484   -6.1978
            31  C1x C    20.9684   -8.6988
            32  O2x O    22.1810   -7.9991
            33  C8y C    22.1813   -6.6236
            34  C8y C    20.9690   -5.9234
            35  C8x C    23.3939   -5.9239
            36  C8x C    23.3942   -4.5239
            37  C8x C    22.1819   -3.8236
            38  C8y C    20.9693   -4.5234
            39  O2a O    19.7915   -3.8433
            40  C1a C    18.5901   -4.5369
            41  X   Cl    7.2800   -8.0500
BOND        46
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13   7 1
            16    2  14 1
            17   14  15 2
            18   15  16 1
            19   16  17 2
            20   17  18 1
            21   18  19 2
            22   14  19 1
            23   10  20 2
            24   12  21 2
            25   11  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   26  30 1
            35   28  31 1
            36   31  32 1
            37   32  33 1
            38   33  34 1
            39   29  34 1
            40   33  35 2
            41   35  36 1
            42   36  37 2
            43   37  38 1
            44   34  38 2
            45   38  39 1
            46   39  40 1

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