KEGG   DRUG: Gisadenafil
Entry
D09621                      Drug                                   
Name
Gisadenafil (USAN/INN)
Formula
C23H33N7O5S
Exact mass
519.2264
Mol weight
519.617
Structure
Class
Cardiovascular agent
 DG01509  Phosphodiesterase V inhibitor
Remark
Chemical structure group: DG01258
Efficacy
Antidysuria, Phosphodiesterase V inhibitor
Comment
Treatment of lower urinary tract symptoms associated with BPH
Target
PDE5 [HSA:8654] [KO:K13762]
  Pathway
hsa00230  Purine metabolism
Interaction
Brite
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01509  Phosphodiesterase V inhibitor
   DG01258  Gisadenafil
    D09621  Gisadenafil
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterases
    PDE5
     D09621  Gisadenafil (USAN/INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01509  Phosphodiesterase V inhibitor
   DG01258  Gisadenafil
Other DBs
CAS: 334826-98-1
PubChem: 124490361
LigandBox: D09621
LinkDB
KCF data

ATOM        36
            1   C1x C    16.2020  -26.9420
            2   N1y N    16.2020  -28.3454
            3   C1x C    17.3949  -29.0471
            4   C1x C    18.6579  -28.3454
            5   N1y N    18.6579  -26.9420
            6   C1x C    17.3949  -26.2404
            7   S4a S    19.8508  -26.2404
            8   C1b C    15.0092  -29.0471
            9   C1a C    13.8163  -28.3454
            10  C8y C    21.0436  -26.9420
            11  C8x C    21.0436  -28.3454
            12  N5x N    22.3066  -29.0471
            13  C8y C    23.4995  -28.3454
            14  C8y C    23.4995  -26.9420
            15  C8x C    22.3066  -26.2404
            16  C8y C    24.6923  -26.2404
            17  O2a O    24.6923  -29.0471
            18  C1b C    25.8852  -28.3454
            19  C1a C    27.0780  -29.0471
            20  N5x N    25.8852  -26.9420
            21  C8y C    27.1482  -26.2404
            22  C8y C    27.1482  -24.8370
            23  C8y C    25.9553  -24.1353
            24  N4x N    24.6923  -24.8370
            25  O5x O    25.9553  -22.7320
            26  C8y C    28.4814  -26.6614
            27  N4y N    29.3234  -25.5387
            28  N5x N    28.4814  -24.4160
            29  C1b C    30.7267  -25.5387
            30  C1b C    31.4284  -26.7315
            31  O2a O    32.8318  -26.7315
            32  C1a C    33.5335  -27.9244
            33  C1b C    29.1831  -27.8542
            34  C1a C    30.5864  -27.8542
            35  O3c O    20.5508  -25.0279
            36  O3c O    19.1508  -25.0279
BOND        39
            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     5   7 1
            8     2   8 1
            9     8   9 1
            10    7  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   10  15 1
            17   14  16 1
            18   13  17 1
            19   17  18 1
            20   18  19 1
            21   16  20 2
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   16  24 1
            27   23  25 2
            28   21  26 2
            29   26  27 1
            30   27  28 1
            31   22  28 2
            32   27  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   33  34 1
            37   33  26 1
            38    7  35 2
            39    7  36 2

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