KEGG   DRUG: D03290Help
Entry
D03290                      Drug                                   

Name
Promethazine methylenedisalicylate (JAN);
Pyrethia (TN)
Formula
(C17H20N2S)2. C15H12O6
Exact mass
856.3328
Mol weight
857.0904
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antihistaminic
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Target
H1-receptor antagonist [HSA:3269] [KO:K04149]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Drug interaction
Structure map
Antipsychotics
Phenothiazines
Hypnotics
Histamine H1 receptor antagonists
Dopamine receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D04 ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
   D04A ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
    D04AA Antihistamines for topical use
     D04AA10 Promethazine
      D03290  Promethazine methylenedisalicylate (JAN)
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AD Phenothiazine derivatives
     R06AD02 Promethazine
      D03290  Promethazine methylenedisalicylate (JAN)
USP drug classification [BR:br08302]
 Antiemetics
  Antiemetics, Other
   Promethazine
    D03290  Promethazine methylenedisalicylate (JAN)
 Respiratory Tract/Pulmonary Agents
  Antihistamines
   Promethazine
    D03290  Promethazine methylenedisalicylate (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   116  Antiparkinsonian agents
    1169  Others
     D03290  Promethazine methylenedisalicylate (JAN)
 4  Agents affecting cellular function
  44  Allergic agents
   441  Antihistamines
    4413  Phenothiazines
     D03290  Promethazine methylenedisalicylate (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Promethazine
    D03290  Promethazine methylenedisalicylate (JAN)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Promethazine
    D03290  Promethazine methylenedisalicylate (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    H1-receptor
     Promethazine
      D03290  Promethazine methylenedisalicylate (JAN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2D6
   Promethazine
    D03290  Promethazine methylenedisalicylate (JAN)
BRITE hierarchy
Other DBs
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        61
            1   N1y N    14.0591  -13.7145
            2   C8y C    15.2989  -14.4130
            3   C8y C    12.8659  -14.4130
            4   C1b C    14.0591  -12.3002
            5   C8y C    15.2989  -15.8216
            6   C8x C    16.4921  -13.7145
            7   C8y C    12.8659  -15.8216
            8   C8x C    11.6669  -13.7145
            9   C1c C    15.2640  -11.6133
            10  S2x S    14.0591  -16.5141
            11  C8x C    16.4921  -16.5141
            12  C8x C    17.6970  -14.4130
            13  C8x C    11.6669  -16.5141
            14  C8x C    10.4271  -14.4130
            15  N1c N    15.2640  -10.2920
            16  C1a C    16.4572  -12.3002
            17  C8x C    17.6970  -15.8216
            18  C8x C    10.4271  -15.8216
            19  C1a C    13.9253   -9.5179
            20  C1a C    16.3990   -9.5528
            21  C8y C    22.5400  -12.9500
            22  C8y C    22.5400  -14.3500
            23  C8x C    23.7524  -15.0500
            24  C8x C    24.9649  -14.3500
            25  C8y C    24.9649  -12.9500
            26  C8x C    23.7524  -12.2500
            27  C8x C    27.3897  -14.3500
            28  C8y C    27.3897  -12.9500
            29  C1b C    26.1773  -12.2500
            30  C8x C    28.6022  -15.0500
            31  C8y C    29.8146  -14.3500
            32  C8y C    29.8146  -12.9500
            33  C8x C    28.6022  -12.2500
            34  C6a C    21.3276  -12.2500
            35  O6a O    20.1321  -12.9404
            36  O6a O    21.3275  -10.8502
            37  O1a O    21.3276  -15.0500
            38  C6a C    31.0311  -12.2477
            39  O6a O    32.2286  -12.9392
            40  O6a O    31.0311  -10.8502
            41  O1a O    31.0311  -15.0523
            42  N1y N    14.0591  -13.7145
            43  C8y C    15.2989  -14.4130
            44  C8y C    15.2989  -15.8216
            45  S2x S    14.0591  -16.5141
            46  C8y C    12.8659  -15.8216
            47  C8y C    12.8659  -14.4130
            48  C8x C    11.6669  -13.7145
            49  C8x C    10.4271  -14.4130
            50  C8x C    10.4271  -15.8216
            51  C8x C    11.6669  -16.5141
            52  C8x C    16.4921  -16.5141
            53  C8x C    17.6970  -15.8216
            54  C8x C    17.6970  -14.4130
            55  C8x C    16.4921  -13.7145
            56  C1b C    14.0591  -12.3002
            57  C1c C    15.2640  -11.6133
            58  N1c N    15.2640  -10.2920
            59  C1a C    13.9253   -9.5179
            60  C1a C    16.3990   -9.5528
            61  C1a C    16.4572  -12.3002
BOND        66
            1    21  22 2
            2    22  23 1
            3    23  24 2
            4    24  25 1
            5    25  26 2
            6    21  26 1
            7    27  28 1
            8    28  29 1
            9    25  29 1
            10   27  30 2
            11   30  31 1
            12   31  32 2
            13   32  33 1
            14   28  33 2
            15   21  34 1
            16   34  35 1
            17   34  36 2
            18   22  37 1
            19   32  38 1
            20   38  39 1
            21   38  40 2
            22   31  41 1
            23    1   2 1
            24    1   3 1
            25    1   4 1
            26    2   5 2
            27    2   6 1
            28    3   7 2
            29    3   8 1
            30    4   9 1
            31    5  10 1
            32    5  11 1
            33    6  12 2
            34    7  13 1
            35    8  14 2
            36    9  15 1
            37    9  16 1
            38   11  17 2
            39   13  18 2
            40   15  19 1
            41   15  20 1
            42    7  10 1
            43   12  17 1
            44   14  18 1
            45   42  43 1
            46   42  47 1
            47   42  56 1
            48   43  44 2
            49   43  55 1
            50   47  46 2
            51   47  48 1
            52   56  57 1
            53   44  45 1
            54   44  52 1
            55   55  54 2
            56   46  51 1
            57   48  49 2
            58   57  58 1
            59   57  61 1
            60   52  53 2
            61   51  50 2
            62   58  59 1
            63   58  60 1
            64   46  45 1
            65   54  53 1
            66   49  50 1
BRACKET     1    10.1500  -17.1500   10.1500   -8.6800
            1    18.3400   -8.6800   18.3400  -17.1500
            1  2
 ORIGINAL  1    1   2   5  10   7   3   8  14  18  13  11  17  12   6   4   9
            1   15  19  20  16
 REPEAT    1   42  43  44  45  46  47  48  49  50  51  52  53  54  55  56  57
            1   58  59  60  61

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