KEGG   DRUG: PapaverineHelp
Entry
D07425                      Drug                                   

Name
Papaverine (BAN);
Mesotina (TN)
Formula
C20H21NO4
Exact mass
339.1471
Mol weight
339.385
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Source
Papaver somniferum [TAX:3469]
Remark
Same as: C06533
ATC code: A03AD01 G04BE02
Chemical structure group: DG00043
Product (DG00043): D02218<JP>
Efficacy
Antispasmodic, Smooth muscle relaxant, Vasodilator, Phosphodiesterase inhibitor
Comment
Papaverine derivative
Target
  Pathway
hsa04020  Calcium signaling pathway
hsa04022  cGMP-PKG signaling pathway
hsa04024  cAMP signaling pathway
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
   A03A DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
    A03AD Papaverine and derivatives
     A03AD01 Papaverine
      D07425  Papaverine (BAN)
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G04 UROLOGICALS
   G04B UROLOGICALS
    G04BE Drugs used in erectile dysfunction
     G04BE02 Papaverine
      D07425  Papaverine (BAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Papaverine
    D07425  Papaverine (BAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Phosphodiesterase
    PDE
     D07425  Papaverine (BAN)
BRITE hierarchy
Other DBs
CAS: 58-74-2
PubChem: 96024428
ChEBI: 28241
ChEMBL: CHEMBL19224
DrugBank: DB01113
PDB-CCD: EV1[PDBj]
LigandBox: D07425
NIKKAJI: J10.638K
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8y C    17.3795  -14.8035
            2   C8y C    17.3795  -13.4066
            3   C8y C    18.5668  -15.5020
            4   C8x C    16.1921  -15.5020
            5   C8x C    16.1921  -12.7082
            6   C8x C    18.6367  -12.7082
            7   C1b C    18.5668  -16.8989
            8   N5x N    19.8241  -14.8035
            9   C8y C    15.0047  -14.8035
            10  C8y C    15.0047  -13.4066
            11  C8x C    19.8241  -13.4066
            12  C8y C    19.8241  -17.5974
            13  O2a O    13.7475  -15.5020
            14  O2a O    13.7475  -12.7082
            15  C8x C    21.0813  -16.8989
            16  C8x C    19.8241  -18.9943
            17  C1a C    12.5601  -14.8035
            18  C1a C    12.5601  -13.4066
            19  C8y C    22.2687  -17.5974
            20  C8x C    21.0114  -19.6927
            21  C8y C    22.2685  -18.9943
            22  O2a O    23.4560  -16.8291
            23  O2a O    23.4560  -19.6229
            24  C1a C    24.6434  -17.5275
            25  C1a C    24.7132  -18.9244
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    9  13 1
            13   10  14 1
            14   12  15 1
            15   12  16 2
            16   13  17 1
            17   14  18 1
            18   15  19 2
            19   16  20 1
            20   19  21 1
            21   19  22 1
            22   21  23 1
            23    8  11 1
            24    9  10 2
            25   20  21 2
            26   22  24 1
            27   23  25 1

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