KEGG   DRUG: FipronilHelp
Entry
D01042                      Drug                                   

Name
Fipronil (JAN)
Formula
C12H4Cl2F6N4OS
Exact mass
435.9387
Mol weight
437.1478
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C11099
Efficacy
Insecticide, GABA-gated chloride channel antagonist
Comment
Phenylpyrazole derivative
Target
GABA-gated chloride channel [KO:K05181 K05195 K05175]
glutamate-gated chloride channel [KO:K05273]
Other DBs
CAS: 120068-37-3
PubChem: 7848105
ChEBI: 5063
ChEMBL: CHEMBL101326
LigandBox: D01042
NIKKAJI: J562.376F
LinkDB All DBs
KCF data Show

ATOM        26
            1   C8y C    33.5433  -14.0903
            2   C8y C    33.9769  -15.4215
            3   N5x N    32.8398  -16.2434
            4   N4y N    31.7027  -15.4215
            5   C8y C    32.1432  -14.0903
            6   C8x C    28.0687  -16.1196
            7   C8y C    28.0687  -17.5198
            8   C8x C    29.2850  -18.2233
            9   C8y C    30.4873  -17.5198
            10  C8y C    30.4873  -16.1196
            11  C8y C    29.2850  -15.4230
            12  X   Cl   29.2718  -14.0228
            13  C1d C    26.8513  -18.2164
            14  X   F    25.6341  -18.9059
            15  X   Cl   31.6922  -18.2233
            16  C3b C    35.1821  -16.1125
            17  N3a N    36.4274  -16.7388
            18  N1a N    31.1434  -13.0871
            19  S4a S    34.2323  -12.8760
            20  C1d C    35.6254  -12.8689
            21  X   F    37.0255  -12.8689
            22  O3c O    33.2331  -11.8768
            23  X   F    27.5438  -19.4327
            24  X   F    26.1588  -17.0001
            25  X   F    35.6219  -11.4800
            26  X   F    35.6289  -14.2800
BOND        27
            1     1   2 1
            2     7  13 1
            3     2   3 2
            4     3   4 1
            5     4   5 1
            6    13  14 1
            7     5   1 2
            8     9  15 1
            9     6   7 2
            10    2  16 1
            11    7   8 1
            12   16  17 3
            13    8   9 2
            14    5  18 1
            15    9  10 1
            16    1  19 1
            17   10  11 2
            18   19  20 1
            19   11   6 1
            20   10   4 1
            21   20  21 1
            22   11  12 1
            23   19  22 2
            24   13  23 1
            25   13  24 1
            26   20  25 1
            27   20  26 1

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