KEGG   DRUG: Tritoqualine
Entry
D07405                      Drug                                   
Name
Tritoqualine (INN);
Hypostamine (TN)
Formula
C26H32N2O8
Exact mass
500.2159
Mol weight
500.54
Structure
Remark
ATC code: R06AX21
Efficacy
Antiallergic, Antipruritic, Histidine decarboxylase inhibitor
Target
HDC [HSA:3067] [KO:K01590]
  Pathway
hsa00340  Histidine metabolism
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
     R06AX21 Tritoqualine
      D07405  Tritoqualine (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Lyases (EC4)
   Carboxy-lyases
    HDC
     D07405  Tritoqualine (INN)
Other DBs
CAS: 14504-73-5
PubChem: 51091741
LigandBox: D07405
NIKKAJI: J8.507C
LinkDB
KCF data

ATOM        36
            1   C8y C    18.3400  -18.4100
            2   C8y C    18.3400  -19.8100
            3   C8x C    19.5524  -20.5100
            4   C8y C    20.7649  -19.8100
            5   C8y C    20.7649  -18.4100
            6   C8y C    19.5524  -17.7100
            7   C1x C    21.9773  -20.5100
            8   C1x C    23.1897  -19.8100
            9   N1y N    23.1897  -18.4100
            10  C1y C    21.9773  -17.7100
            11  O2x O    17.0085  -17.9774
            12  C1x C    16.1856  -19.1100
            13  O2x O    17.0085  -20.2426
            14  O2a O    19.5524  -16.3102
            15  C1a C    18.3232  -15.6003
            16  C1y C    21.9773  -16.3100
            17  C8y C    23.1117  -15.4858
            18  C8y C    22.6784  -14.1523
            19  C7x C    21.2762  -14.1523
            20  O7x O    20.8429  -15.4858
            21  C8y C    24.4811  -15.7769
            22  C8y C    25.4179  -14.7364
            23  C8y C    24.9846  -13.4029
            24  C8y C    23.6152  -13.1119
            25  O2a O    24.9079  -17.0892
            26  C1b C    26.2870  -17.3821
            27  C1a C    27.2491  -16.3127
            28  O2a O    26.7862  -15.0273
            29  C1b C    27.4862  -13.8149
            30  C1a C    28.9098  -13.8153
            31  O2a O    25.9403  -12.3420
            32  C1b C    27.3332  -12.6389
            33  C1a C    28.2401  -11.6326
            34  N1a N    23.1741  -11.7532
            35  O6a O    20.4487  -13.0135
            36  C1a C    24.5897  -18.4100
BOND        40
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    1  11 1
            13   11  12 1
            14   12  13 1
            15    2  13 1
            16    6  14 1
            17   14  15 1
            18   10  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   16  20 1
            24   17  21 2
            25   21  22 1
            26   22  23 2
            27   23  24 1
            28   18  24 2
            29   21  25 1
            30   25  26 1
            31   26  27 1
            32   22  28 1
            33   28  29 1
            34   29  30 1
            35   23  31 1
            36   31  32 1
            37   32  33 1
            38   24  34 1
            39   19  35 2
            40    9  36 1

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