KEGG   DRUG: Fenticonazole
Entry
D02582                      Drug                                   
Name
Fenticonazole (INN)
Formula
C24H20Cl2N2OS
Exact mass
454.0673
Mol weight
455.3994
Structure
Simcomp
Class
Antifungal
 DG01883  Imidazole antifungal
Remark
ATC code: D01AC12 G01AF12
Chemical structure group: DG00368
Efficacy
Antifungal, Ergosterol biosynthesis inhibitor
Comment
Imidazole derivative
Target
sterol 14alpha-demethylase [KO:K05917]
  Pathway
ko00100  Steroid biosynthesis
Interaction
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
     D01AC12 Fenticonazole
      D02582  Fenticonazole (INN)
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G01 GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
   G01A ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
    G01AF Imidazole derivatives
     G01AF12 Fenticonazole
      D02582  Fenticonazole (INN)
Drug groups [BR:br08330]
 Antifungal
  DG01883  Imidazole antifungal
   DG00368  Fenticonazole
    D02582  Fenticonazole
Antimicrobials [BR:br08307]
 Antifungals
  Ergosterol biosynthesis inhibitor
   Imidazole
    D02582  Fenticonazole (INN)
Drug groups [BR:br08330]
 Antifungal
  DG01883  Imidazole antifungal
   DG00368  Fenticonazole
Other DBs
CAS: 72479-26-6
PubChem: 17396753
ChEBI: 82863
LigandBox: D02582
NIKKAJI: J11.264J
KCF data

ATOM        30
            1   C8y C    34.4472  -15.6229
            2   C1c C    34.4472  -14.2216
            3   C8y C    33.2329  -16.3236
            4   C8x C    35.6675  -16.3236
            5   C1b C    35.6618  -13.5152
            6   O2a O    33.2387  -13.5152
            7   C8x C    33.2329  -17.7249
            8   X   Cl   32.0067  -15.6229
            9   C8x C    35.6675  -17.7249
            10  N4y N    36.8713  -14.2286
            11  C1b C    32.0243  -14.2216
            12  C8y C    34.4472  -18.4313
            13  C8x C    37.9984  -13.3968
            14  C8x C    37.3051  -15.5486
            15  C8y C    30.8156  -13.5152
            16  X   Cl   34.4355  -19.8269
            17  C8x C    39.1222  -14.2143
            18  N5x N    38.7025  -15.5431
            19  C8x C    29.6071  -14.2216
            20  C8x C    30.8156  -12.1139
            21  C8x C    28.3867  -13.5152
            22  C8x C    29.6071  -11.4133
            23  C8y C    28.3867  -12.1139
            24  S2a S    27.1664  -11.4133
            25  C8y C    25.9569  -12.1155
            26  C8x C    24.7628  -11.4298
            27  C8x C    23.5509  -12.1330
            28  C8x C    23.5542  -13.5342
            29  C8x C    24.7483  -14.2199
            30  C8x C    25.9601  -13.5166
BOND        33
            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   20  22 1
            22   21  23 1
            23   23  24 1
            24    9  12 1
            25   17  18 1
            26   22  23 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   25  30 1

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Ontology (3)   
   KEGG BRITE (3)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
Gene (1)   
   KEGG ORTHOLOGY (1)   
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