KEGG   DRUG: D00350Help
Entry
D00350                      Drug                                   

Name
Itraconazole (JP16/USAN);
Itrizole (TN);
Sporanox (TN)
Product
  Generic
Formula
C35H38Cl2N8O4
Exact mass
704.2393
Mol weight
705.6334
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antifungal [DS:H00363]
Remark
Therapeutic category: 
ATC code: 
Target
sterol 14alpha-demethylase ihibitor [KO:K05917]
  Pathway
ko00100  Steroid biosynthesis  
 
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
CYP inhibition: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577], CYP3A7 [HSA:1551]
Transporter inhibition: ABCB1 [HSA:5243]
Drug interaction
Structure map
Antifungal agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J02 ANTIMYCOTICS FOR SYSTEMIC USE
   J02A ANTIMYCOTICS FOR SYSTEMIC USE
    J02AC Triazole derivatives
     J02AC02 Itraconazole
      D00350  Itraconazole (JP16/USAN)
USP drug classification [BR:br08302]
 Antifungals
  Itraconazole
   D00350  Itraconazole (JP16/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   629  Miscellaneous
    6290  Miscellaneous
     D00350  Itraconazole (JP16/USAN)
Antiinfectives [BR:br08307]
 Antifungals
  Ergosterol biosynthesis inhibitor
   sterol 14alpha-demethylase inhibitor
    Triazoles
     Itraconazole
      D00350  Itraconazole (JP16/USAN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP3A4
   Itraconazole
    D00350  Itraconazole (JP16/USAN)
 Inhbitors
  CYP3A4
   Itraconazole
    D00350  Itraconazole (JP16/USAN)
  CYP3A5
   Itraconazole
    D00350  Itraconazole (JP16/USAN)
  CYP3A7
   Itraconazole
    D00350  Itraconazole (JP16/USAN)
  CYP3A
   Itraconazole
    D00350  Itraconazole (JP16/USAN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00350  Itraconazole
BRITE hierarchy
Other DBs
CAS: 
84625-61-6
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        49
            1   C8x C    19.8100   -8.8900
            2   C8x C    21.2100   -8.8900
            3   C8y C    21.9100   -7.6776
            4   C8x C    21.2100   -6.4651
            5   C8x C    19.8100   -6.4651
            6   C8y C    19.1100   -7.6776
            7   N1y N    23.3098   -7.6776
            8   C1x C    24.0197   -8.9068
            9   C1x C    25.4197   -8.9066
            10  N1y N    26.1196   -7.6941
            11  C1x C    25.4097   -6.4649
            12  C1x C    24.0097   -6.4651
            13  C8y C    27.5100   -7.6940
            14  C8x C    28.2127   -8.9109
            15  C8x C    29.6127   -8.9108
            16  C8y C    30.3126   -7.6983
            17  C8x C    29.6099   -6.4814
            18  C8x C    28.2099   -6.4815
            19  N4y N    31.7100   -7.6981
            20  C8y C    32.5339   -8.8319
            21  N4y N    33.8668   -8.3987
            22  N5x N    33.8666   -6.9972
            23  C8x C    32.5337   -6.5642
            24  O2a O    17.7102   -7.6776
            25  C1b C    17.0004   -8.9068
            26  C1y C    15.6101   -8.9066
            27  O5x O    32.1066  -10.1479
            28  C1c C    35.0792   -9.0986
            29  C1b C    36.2916   -8.3985
            30  C1a C    35.0794  -10.5000
            31  C1a C    37.4808   -9.0853
            32  O2x O    14.7793   -7.7630
            33  C1z C    13.4350   -8.1998
            34  O2x O    13.4349   -9.6132
            35  C1x C    14.7792  -10.0501
            36  C8y C    13.4350   -6.7998
            37  C1b C    12.0350   -8.1998
            38  C8x C    14.6554   -6.0952
            39  C8x C    14.6555   -4.6952
            40  C8y C    13.4430   -3.9952
            41  C8x C    12.2226   -4.6997
            42  C8y C    12.2226   -6.0997
            43  X   Cl   13.4431   -2.5900
            44  N4y N    11.3405   -9.4027
            45  X   Cl   11.0350   -6.7855
            46  C8x C     9.9405   -9.4027
            47  N5x N     9.5079  -10.7342
            48  C8x C    10.6405  -11.5571
            49  N5x N    11.7731  -10.7342
BOND        55
            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     3   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    7  12 1
            14   10  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   16  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 2
            26   19  23 1
            27    6  24 1
            28   24  25 1
            29   26  25 1 #Up
            30   20  27 2
            31   21  28 1
            32   28  29 1
            33   28  30 1
            34   29  31 1
            35   26  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   26  35 1
            40   33  36 1 #Down
            41   33  37 1 #Up
            42   36  38 2
            43   38  39 1
            44   39  40 2
            45   40  41 1
            46   41  42 2
            47   36  42 1
            48   40  43 1
            49   37  44 1
            50   42  45 1
            51   44  46 1
            52   46  47 2
            53   47  48 1
            54   48  49 2
            55   44  49 1

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