KEGG   DRUG: D04624Help
Entry
D04624                      Drug                                   

Name
Isoconazole (USAN/INN)
Formula
C18H14Cl4N2O
Exact mass
413.986
Mol weight
416.1286
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antibacterial;
Antifungal
Remark
ATC code: 
Drug group: 
Comment
ergosterol biosynthesis inhibitor
Target
sterol 14alpha-demethylase ihibitor [KO:K05917]
  Pathway
ko00100  Steroid biosynthesis  
 
Interaction
CYP inhibition: CYP2C9 [HSA:1559]
Drug interaction
Structure map
Antifungal agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D01 ANTIFUNGALS FOR DERMATOLOGICAL USE
   D01A ANTIFUNGALS FOR TOPICAL USE
    D01AC Imidazole and triazole derivatives
     D01AC05 Isoconazole
      D04624  Isoconazole (USAN/INN)
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G01 GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
   G01A ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
    G01AF Imidazole derivatives
     G01AF07 Isoconazole
      D04624  Isoconazole (USAN/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Category 1
  Inorganic and organic chemicals
   Isoconazole
    D04624  Isoconazole (USAN/INN)
Antiinfectives [BR:br08307]
 Antifungals
  Ergosterol biosynthesis inhibitor
   sterol 14alpha-demethylase inhibitor
    Imidazoles
     Isoconazole
      D04624  Isoconazole (USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 Inhbitors
  CYP2C9
   Isoconazole
    D04624  Isoconazole (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
27523-40-6
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        25
            1   C8y C    32.7681  -17.1826
            2   C1c C    32.7739  -15.7850
            3   C8y C    31.5509  -17.8757
            4   C8x C    33.9794  -17.8816
            5   C1b C    33.9910  -15.0860
            6   O2a O    31.5625  -15.0743
            7   C8x C    31.5450  -19.2734
            8   X   Cl   30.3396  -17.1709
            9   C8x C    33.9735  -19.2849
            10  N4y N    35.2024  -15.7966
            11  C1b C    30.3454  -15.7732
            12  C8y C    32.7565  -19.9839
            13  C8x C    36.5371  -15.3565
            14  C8x C    35.2171  -17.1947
            15  C8y C    29.1340  -15.0686
            16  X   Cl   32.7506  -21.3815
            17  C8x C    37.3650  -16.4731
            18  N5x N    36.5529  -17.6152
            19  C8y C    27.9284  -15.7675
            20  C8y C    29.1456  -13.6709
            21  C8x C    26.7172  -15.0627
            22  X   Cl   27.9226  -17.1651
            23  C8x C    27.9400  -12.9661
            24  C8x C    26.7231  -13.6592
            25  X   Cl   30.3570  -12.9827
BOND        27
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    7  12 2
            12   10  13 1
            13   10  14 1
            14   11  15 1
            15   12  16 1
            16   13  17 2
            17   14  18 2
            18   15  19 1
            19   15  20 2
            20   19  21 2
            21   19  22 1
            22   20  23 1
            23   21  24 1
            24    9  12 1
            25   17  18 1
            26   23  24 2
            27   20  25 1

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