KEGG   DRUG: SildenafilHelp
Entry
D08514                      Drug                                   

Name
Sildenafil (INN);
Aphrodil (TN)
Formula
C22H30N6O4S
Exact mass
474.2049
Mol weight
474.5764
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01509  Phosphodiesterase V inhibitor
Enzyme substrate
 DG01642  CYP2C9 substrate
 DG01633  CYP3A substrate
Remark
Same as: C07259
ATC code: G04BE03
Chemical structure group: DG00484
Product (DG00484): D02229<JP/US>
Efficacy
Vasodilator, Impotence therapy, Phosphodiesterase V inhibitor
  Disease
Pulmonary arterial hypertension [DS:H01621]
Target
PDE5 [HSA:8654] [KO:K13762]
  Pathway
hsa04022  cGMP-PKG signaling pathway
Metabolism
Enzyme: CYP3A4 [HSA:1576]; CYP2C9 [HSA:1559]
Interaction
Drug 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
     G04BE03 Sildenafil
      D08514  Sildenafil (INN)
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Pulmonary Antihypertensives
   Sildenafil
    D08514  Sildenafil (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterase
    PDE5
     D08514  Sildenafil (INN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D08514
BRITE hierarchy
Other DBs
CAS: 139755-83-2
PubChem: 96025199
ChEBI: 9139
ChEMBL: CHEMBL192
DrugBank: DB00203
PDB-CCD: VIA[PDBj]
LigandBox: D08514
NIKKAJI: J897.167F
LinkDB All DBs
KCF data Show

ATOM        33
            1   C8y C    19.3005  -16.9780
            2   C8y C    20.4929  -16.2766
            3   C8y C    19.3005  -18.3808
            4   C8x C    18.0379  -16.2766
            5   N5x N    21.6853  -16.9780
            6   N4x N    20.4929  -14.8737
            7   C8x C    18.0379  -19.0822
            8   O2a O    20.4929  -19.0822
            9   C8y C    16.8455  -16.9780
            10  C8y C    22.9479  -16.2766
            11  C8y C    21.6853  -14.1723
            12  C8x C    16.8455  -18.3808
            13  C1b C    21.6853  -18.3808
            14  S4a S    15.6531  -16.2766
            15  C8y C    22.9480  -14.8737
            16  C8y C    24.2806  -16.6974
            17  C1a C    22.8778  -19.0822
            18  N1y N    14.4607  -16.9780
            19  O3c O    16.6351  -15.2946
            20  O3c O    14.6711  -15.2946
            21  N4y N    24.2806  -14.4529
            22  N5x N    25.1223  -15.5751
            23  C1b C    24.7015  -18.0301
            24  C1x C    14.4607  -18.3808
            25  C1x C    13.1981  -16.2766
            26  C1a C    24.7015  -13.1202
            27  C1b C    26.0342  -18.3107
            28  C1x C    13.1981  -19.0822
            29  C1x C    12.0057  -16.9780
            30  C1a C    26.4550  -19.6434
            31  N1y N    12.0057  -18.3808
            32  C1a C    10.8133  -19.0822
            33  O5x O    21.6853  -12.7694
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            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 2
            15   10  16 1
            16   13  17 1
            17   14  18 1
            18   14  19 2
            19   14  20 2
            20   15  21 1
            21   16  22 2
            22   16  23 1
            23   18  24 1
            24   18  25 1
            25   21  26 1
            26   23  27 1
            27   24  28 1
            28   25  29 1
            29   27  30 1
            30   28  31 1
            31   31  32 1
            32    9  12 2
            33   11  15 1
            34   21  22 1
            35   29  31 1
            36   11  33 2

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