KEGG   DRUG: ItraconazoleHelp
Entry
D00350                      Drug                                   

Name
Itraconazole (JP17/USAN);
Itrizole (TN);
Sporanox (TN)
Product
  Generic
Formula
C35H38Cl2N8O4
Exact mass
704.2393
Mol weight
705.6334
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antifungal
 DG01523  Triazole antifungal
Enzyme substrate
 DG01633  CYP3A substrate
Enzyme inhibitor
 DG02852  CYP3A inhibitor
  DG01522  CYP3A4 inhibitor
 DG01522  CYP3A4 inhibitor
Transporter inhibitor
 DG01622  ABCB1 (P-GP) inhibitor
Remark
Therapeutic category: 6290
ATC code: J02AC02
Product: D00350<JP/US>
Efficacy
Antifungal, Ergosterol biosynthesis inhibitor
  Disease
Blastomycosis [DS:H01501]
Histoplasmosis [DS:H01062]
Aspergillosis [DS:H01328]
Onychomycosis of the toenail, fingernail [DS:H01316]
Target
sterol 14alpha-demethylase [KO:K05917]
  Pathway
ko00100  Steroid biosynthesis
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
CYP inhibition: CYP3A4 [HSA:1576]
Transporter inhibition: ABCB1 [HSA:5243]
Drug interaction
Structure map
map07026  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 (JP17/USAN) <JP/US>
USP drug classification [BR:br08302]
 Antifungals
  Itraconazole
   D00350  Itraconazole (JP17/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  62  Chemotherapeutics
   629  Miscellaneous
    6290  Miscellaneous
     D00350  Itraconazole (JP17/USAN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00350  Itraconazole
Antiinfectives [br08350.html]
 Antifungals
  D00350
BRITE hierarchy
Other DBs
CAS: 84625-61-6
PubChem: 7847416
ChEBI: 6076
ChEMBL: CHEMBL1835950 CHEMBL22587 CHEMBL3810051
DrugBank: DB01167
LigandBox: D00350
NIKKAJI: J23.733G
LinkDB All DBs
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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