KEGG   DRUG: Vardenafil dihydrochoride
Entry
D02731                      Drug                                   

Name
Vardenafil dihydrochoride (USAN);
Levitra (TN)
Formula
C23H32N6O4S. 2HCl
Exact mass
560.1739
Mol weight
561.5249
Structure
Simcomp
Class
Cardiovascular agent
 DG01509  Phosphodiesterase V inhibitor
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Remark
ATC code: G04BE09
Chemical structure group: DG00487
Product (DG00487): D03260<JP/US>
Efficacy
Vasodilator, Impotence therapy, Phosphodiesterase V inhibitor
Comment
Treatment of erectile dysfunction
Target
PDE5 [HSA:8654] [KO:K13762]
  Pathway
hsa04022  cGMP-PKG signaling pathway
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G04 UROLOGICALS
   G04B UROLOGICALS
    G04BE Drugs used in erectile dysfunction
     G04BE09 Vardenafil
      D02731  Vardenafil dihydrochoride (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterases
    PDE5
     D02731  Vardenafil dihydrochoride (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02731
Other DBs
CAS: 224789-15-5
PubChem: 17396898
ChEMBL: CHEMBL2106480
DrugBank: DB00862
LigandBox: D02731
LinkDB
KCF data

ATOM        36
            1   C8y C    31.5505  -18.2031
            2   C8y C    32.7642  -17.4970
            3   C8y C    31.5505  -19.6096
            4   C8x C    30.3365  -17.5086
            5   N4x N    33.9723  -18.1973
            6   N5x N    32.7526  -16.0964
            7   C8x C    30.3365  -20.3097
            8   O2a O    32.7526  -20.3040
            9   C8y C    29.1285  -18.2031
            10  N4y N    35.1920  -17.5027
            11  C8y C    33.9723  -15.3961
            12  C8x C    29.1228  -19.6037
            13  C1b C    33.9606  -19.6037
            14  S4a S    27.9205  -17.5027
            15  C8y C    35.1860  -16.1022
            16  C8y C    36.5225  -17.9288
            17  O5x O    33.9723  -13.9898
            18  C1a C    35.1627  -20.3040
            19  N1y N    26.7126  -18.1973
            20  O3c O    28.9126  -16.5049
            21  O3c O    26.9168  -16.5049
            22  C8y C    36.5167  -15.6588
            23  N5x N    37.3513  -16.7908
            24  C1b C    36.9484  -19.2536
            25  C1x C    26.7126  -19.5980
            26  C1x C    25.4988  -17.4911
            27  C1a C    36.9545  -14.3223
            28  C1b C    38.3083  -19.5395
            29  C1x C    25.4988  -20.2982
            30  C1x C    24.2850  -18.1973
            31  C1a C    38.7400  -20.8701
            32  N1y N    24.2850  -19.5980
            33  C1b C    23.0770  -20.3040
            34  C1a C    21.8842  -19.6237
            35  X   Cl   41.4539  -17.6487
            36  X   Cl   41.4539  -17.6487
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 1
            13    9  14 1
            14   10  15 1
            15   10  16 1
            16   11  17 2
            17   13  18 1
            18   14  19 1
            19   14  20 2
            20   14  21 2
            21   15  22 2
            22   16  23 2
            23   16  24 1
            24   19  25 1
            25   19  26 1
            26   22  27 1
            27   24  28 1
            28   25  29 1
            29   26  30 1
            30   28  31 1
            31   29  32 1
            32   32  33 1
            33    9  12 2
            34   11  15 1
            35   22  23 1
            36   30  32 1
            37   33  34 1
BRACKET     1    39.7600  -18.5500   39.7600  -16.6600
            1    42.4900  -16.6600   42.4900  -18.5500
            1  2
 ORIGINAL  1   35
 REPEAT    1   36

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