KEGG   DRUG: Econazole
Entry
D03936                      Drug                                   
Name
Econazole (USAN/INN)
Formula
C18H15Cl3N2O
Exact mass
380.025
Mol weight
381.6835
Structure
Simcomp
Class
Antifungal
 DG01883  Imidazole antifungal
Remark
Same as: C08068
ATC code: D01AC03 G01AF05
Chemical structure group: DG00363
Product (DG00363): D00881<US>
Efficacy
Antifungal, Ergosterol biosynthesis inhibitor
Comment
Imidazole derivative
Target
sterol 14alpha-demethylase [KO:K05917]
  Pathway
ko00100  Steroid biosynthesis
Interaction
Structure map
map07026  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
     D01AC03 Econazole
      D03936  Econazole (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
     G01AF05 Econazole
      D03936  Econazole (USAN/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Econazole
    D03936  Econazole (USAN/INN)
Drug groups [BR:br08330]
 Antifungal
  DG01883  Imidazole antifungal
   DG00363  Econazole
    D03936  Econazole
Antimicrobials [BR:br08307]
 Antifungals
  Ergosterol biosynthesis inhibitor
   Imidazole
    D03936  Econazole (USAN/INN)
Drug groups [BR:br08330]
 Antifungal
  DG01883  Imidazole antifungal
   DG00363  Econazole
Other DBs
CAS: 27220-47-9
PubChem: 47205924
ChEBI: 4754
LigandBox: D03936
NIKKAJI: J10.724G
KCF data

ATOM        24
            1   C8y C    31.4297  -15.4056
            2   C1c C    31.4297  -14.0060
            3   C8y C    30.2168  -16.1054
            4   C8x C    32.6486  -16.1054
            5   C1b C    32.6428  -13.3004
            6   O2a O    30.2225  -13.3004
            7   C8x C    30.2168  -17.5051
            8   X   Cl   28.9921  -15.4056
            9   C8x C    32.6486  -17.5051
            10  N4y N    33.8498  -14.0119
            11  C1b C    29.0097  -14.0060
            12  C8y C    31.4297  -18.2106
            13  C8x C    34.9890  -13.2001
            14  C8x C    34.2628  -15.3382
            15  C8y C    27.8024  -13.3004
            16  X   Cl   31.4180  -19.6046
            17  C8x C    36.0985  -14.0344
            18  N5x N    35.6584  -15.3547
            19  C8x C    26.5952  -14.0060
            20  C8x C    27.8024  -11.9007
            21  C8x C    25.3764  -13.3004
            22  C8x C    26.5952  -11.2009
            23  C8y C    25.3764  -11.9007
            24  X   Cl   24.1575  -11.2009
BOND        26
            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

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Ontology (4)   
   KEGG BRITE (4)   
Pathway (1)   
   KEGG PATHWAY (1)   
Drug (3)   
   KEGG DGROUP (1)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (5)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   NIKKAJI (1)   
Gene (1)   
   KEGG ORTHOLOGY (1)   
All databases (14)   

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