KEGG   DRUG: CroconazoleHelp
Entry
D07752                      Drug                                   

Name
Croconazole (INN)
Formula
C18H15ClN2O
Exact mass
310.0873
Mol weight
310.7775
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antifungal
 DG01883  Imidazole antifungal
Enzyme inhibitor
 DG01643  CYP2C9 inhibitor
Remark
Same as: C11096
Chemical structure group: DG01297
Efficacy
Antifungal, Ergosterol biosynthesis inhibitor
Comment
Imidazole derivative
Target
sterol 14alpha-demethylase [KO:K05917]
  Pathway
ko00100  Steroid biosynthesis
Interaction
Drug interaction
Structure map
map07026  Antifungal agents
Other DBs
CAS: 77175-51-0
PubChem: 51092044
ChEBI: 3920
ChEMBL: CHEMBL27289
LigandBox: D07752
NIKKAJI: J22.793E
LinkDB All DBs
KCF data Show

ATOM        22
            1   C8x C    25.5500  -22.8200
            2   C8x C    25.9700  -21.4900
            3   N4y N    24.7800  -20.6500
            4   C8x C    23.6600  -21.4900
            5   N5x N    24.1500  -22.8200
            6   C8y C    25.9700  -17.2200
            7   C8y C    25.9700  -18.6200
            8   C8x C    27.1600  -19.3200
            9   C8x C    28.4200  -18.6200
            10  C8x C    28.4200  -17.2200
            11  C8x C    27.1600  -16.5200
            12  C8x C    19.9500  -15.1200
            13  C8x C    19.9500  -16.5200
            14  C8x C    21.1400  -17.2200
            15  C8y C    22.3300  -16.5200
            16  C8x C    22.3300  -15.1200
            17  C8y C    21.1400  -14.4200
            18  C1b C    23.5200  -17.2200
            19  O2a O    24.7800  -16.5200
            20  C2c C    24.7800  -19.2500
            21  C2a C    23.5200  -18.6200
            22  X   Cl   21.1400  -13.0200
BOND        24
            1    11   6 1
            2     1   2 2
            3     2   3 1
            4     3   4 1
            5     4   5 2
            6     5   1 1
            7    12  13 2
            8    13  14 1
            9    14  15 2
            10   15  16 1
            11   16  17 2
            12   17  12 1
            13    6   7 2
            14   15  18 1
            15    7   8 1
            16   18  19 1
            17   19   6 1
            18    8   9 2
            19    7  20 1
            20   20   3 1
            21    9  10 1
            22   20  21 2
            23   10  11 2
            24   17  22 1

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