KEGG   DRUG: D05107Help
Entry
D05107                      Drug                                   

Name
Nafronyl oxalate (USAN);
Naftidrofuryl oxalate;
Praxilene (TN)
Formula
C24H33NO3. C2H2O4
Exact mass
473.2414
Mol weight
473.5586
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Vasodilator
Remark
ATC code: 
Target
5-HT2A-receptor antagonist [HSA:3356] [KO:K04157]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse  
 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C04 PERIPHERAL VASODILATORS
   C04A PERIPHERAL VASODILATORS
    C04AX Other peripheral vasodilators
     C04AX21 Naftidrofuryl
      D05107  Nafronyl oxalate (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    5-HT2A-receptor [HSA:3356] [KO:K04157]
     Naftidrofuryl [ATC:C04AX21]
      D05107  Nafronyl oxalate (USAN)
BRITE hierarchy
Other DBs
CAS: 
3200-06-4
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        34
            1   C6a C    39.6341  -17.9399
            2   C6a C    40.8691  -17.2302
            3   O6a O    38.3921  -17.2302
            4   O6a O    39.6341  -19.4437
            5   O6a O    42.1112  -17.9399
            6   O6a O    40.8691  -15.9409
            7   C8x C    21.9497  -19.2758
            8   C8x C    21.9497  -20.6824
            9   C8x C    23.1678  -21.3857
            10  C8y C    24.3861  -20.6824
            11  C8y C    24.3861  -19.2758
            12  C8x C    23.1678  -18.5725
            13  C8x C    25.6042  -21.3857
            14  C8x C    26.8223  -20.6824
            15  C8x C    26.8223  -19.2758
            16  C8y C    25.6042  -18.5725
            17  C1b C    25.6042  -17.1658
            18  C1c C    26.8245  -16.4613
            19  C7a C    28.0266  -17.1556
            20  C1b C    26.8245  -15.0561
            21  O7a O    29.2190  -16.4671
            22  O6a O    28.0267  -18.5722
            23  C1b C    30.4162  -17.1586
            24  C1b C    31.6112  -16.4686
            25  N1c N    32.8070  -17.1593
            26  C1b C    34.0027  -16.4690
            27  C1a C    35.1981  -17.1595
            28  C1b C    32.8069  -18.5723
            29  C1a C    34.0055  -19.2643
            30  C1y C    28.0286  -14.3608
            31  O2x O    28.0286  -12.9608
            32  C1x C    29.3601  -14.7934
            33  C1x C    30.1830  -13.6608
            34  C1x C    29.3601  -12.5282
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     7   8 2
            7     8   9 1
            8     9  10 2
            9    10  11 1
            10   11  12 2
            11    7  12 1
            12   10  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 2
            16   11  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   18  20 1
            21   19  21 1
            22   19  22 2
            23   21  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   25  28 1
            29   28  29 1
            30   20  30 1
            31   30  31 1
            32   30  32 1
            33   32  33 1
            34   33  34 1
            35   31  34 1

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