KEGG   DRUG: Mebhydrolin napadisilateHelp
Entry
D01786                      Drug                                   

Name
Mebhydrolin napadisilate (JAN)
Formula
(C19H20N2)2. C10H8O6S2
Exact mass
840.3015
Mol weight
841.0479
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
Same as: C13254
ATC code: R06AX15
Chemical structure group: DG01113
Efficacy
Antiallergic, H1 receptor antagonist
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AX Other antihistamines for systemic use
     R06AX15 Mebhydrolin
      D01786  Mebhydrolin napadisilate (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Mebhydrolin
    D01786  Mebhydrolin napadisilate (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D01786  Mebhydrolin napadisilate (JAN)
BRITE hierarchy
Other DBs
CAS: 6153-33-9
PubChem: 7848848
ChEBI: 31803
ChEMBL: CHEMBL1324326
LigandBox: D01786
NIKKAJI: J220.288C
KCF data Show

ATOM        60
            1   C8x C    16.2400  -14.0700
            2   C8x C    16.2400  -15.4700
            3   C8x C    17.4300  -16.1700
            4   C8x C    17.4300  -13.3700
            5   C8y C    18.6900  -14.0700
            6   C8y C    18.6900  -15.4700
            7   N4y N    20.0200  -15.9600
            8   C8y C    20.0200  -13.6500
            9   C8y C    20.7900  -14.8400
            10  C1x C    22.1900  -14.7000
            11  C1x C    22.8200  -13.3700
            12  N1y N    21.9800  -12.2500
            13  C1x C    20.5800  -12.3900
            14  C1a C    22.5400  -10.9900
            15  C1b C    20.0200  -17.3600
            16  C8y C    21.2324  -18.0600
            17  C8x C    21.2324  -19.4598
            18  C8x C    22.4449  -20.1598
            19  C8x C    23.6573  -19.4598
            20  C8x C    23.6573  -18.0600
            21  C8x C    22.4449  -17.3600
            22  C8x C    26.7400  -14.6300
            23  C8x C    26.7400  -16.0300
            24  C8x C    27.9524  -16.7300
            25  C8y C    29.1649  -16.0300
            26  C8y C    29.1649  -14.6300
            27  C8y C    27.9524  -13.9300
            28  C8y C    30.3773  -16.7300
            29  C8x C    31.5897  -16.0300
            30  C8x C    31.5897  -14.6300
            31  C8x C    30.3773  -13.9300
            32  S4a S    27.9524  -12.5302
            33  S4a S    30.3773  -18.1300
            34  O1d O    30.3773  -19.5300
            35  O1d O    31.7800  -18.1300
            36  O1d O    28.9800  -18.1300
            37  O1d O    27.9524  -11.1302
            38  O1d O    26.5300  -12.5302
            39  O1d O    29.3300  -12.5302
            40  C8x C    16.2400  -14.0700
            41  C8x C    17.4300  -13.3700
            42  C8y C    18.6900  -14.0700
            43  C8y C    18.6900  -15.4700
            44  N4y N    20.0200  -15.9600
            45  C8y C    20.7900  -14.8400
            46  C8y C    20.0200  -13.6500
            47  C1x C    20.5800  -12.3900
            48  N1y N    21.9800  -12.2500
            49  C1a C    22.5400  -10.9900
            50  C1x C    22.8200  -13.3700
            51  C1x C    22.1900  -14.7000
            52  C1b C    20.0200  -17.3600
            53  C8y C    21.2324  -18.0600
            54  C8x C    21.2324  -19.4598
            55  C8x C    22.4449  -20.1598
            56  C8x C    23.6573  -19.4598
            57  C8x C    23.6573  -18.0600
            58  C8x C    22.4449  -17.3600
            59  C8x C    17.4300  -16.1700
            60  C8x C    16.2400  -15.4700
BOND        67
            1    22  23 2
            2    23  24 1
            3    24  25 2
            4    25  26 1
            5    26  27 2
            6    22  27 1
            7    25  28 1
            8    28  29 2
            9    29  30 1
            10   30  31 2
            11   26  31 1
            12   27  32 1
            13   28  33 1
            14   33  34 1
            15   33  35 2
            16   33  36 2
            17   32  37 1
            18   32  38 2
            19   32  39 2
            20    5   6 1
            21    6   7 1
            22    7   9 1
            23    8   5 1
            24    3   6 2
            25   12  14 1
            26    5   4 2
            27    4   1 1
            28    1   2 2
            29    2   3 1
            30    8   9 2
            31    9  10 1
            32   10  11 1
            33   11  12 1
            34   12  13 1
            35   13   8 1
            36    7  15 1
            37   15  16 1
            38   16  17 2
            39   17  18 1
            40   18  19 2
            41   19  20 1
            42   20  21 2
            43   16  21 1
            44   42  43 1
            45   43  44 1
            46   44  45 1
            47   46  42 1
            48   59  43 2
            49   48  49 1
            50   42  41 2
            51   41  40 1
            52   40  60 2
            53   60  59 1
            54   46  45 2
            55   45  51 1
            56   51  50 1
            57   50  48 1
            58   48  47 1
            59   47  46 1
            60   44  52 1
            61   52  53 1
            62   53  54 2
            63   54  55 1
            64   55  56 2
            65   56  57 1
            66   57  58 2
            67   53  58 1
BRACKET     1    15.9600  -20.8600   15.9600  -10.2900
            1    24.2900  -10.2900   24.2900  -20.8600
            1  2
 ORIGINAL  1    1   4   5   6   7   9   8  13  12  14  11  10  15  16  17  18
            1   19  20  21   3   2
 REPEAT    1   40  41  42  43  44  45  46  47  48  49  50  51  52  53  54  55
            1   56  57  58  59  60

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