KEGG   DRUG: Clemizole
Entry
D13060                      Drug                                   
Name
Clemizole (USAN/INN)
Formula
C19H20ClN3
Exact mass
325.1346
Mol weight
325.83
Structure
Remark
Chemical structure group: DG02846
Efficacy
Anticonvulsant, TRP channel inhibitor
Comment
Treatment of convulsions in Dravet syndrome and Lennox-Gastaut syndrome
Target
TRPC5 [HSA:7224] [KO:K04968]
  Pathway
hsa04360  Axon guidance
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Transient receptor potential channels
    TRPC5
     D13060  Clemizole (USAN/INN)
Other DBs
CAS: 442-52-4
PubChem: 505917333
LinkDB
KCF data

ATOM        23
            1   C8x C    14.9332  -18.7013
            2   C8x C    16.1194  -19.3293
            3   C8y C    17.3755  -18.6315
            4   C8y C    17.3755  -17.2359
            5   C8x C    16.1892  -16.5381
            6   C8x C    14.9332  -17.2359
            7   N5x N    18.7013  -19.1200
            8   C8y C    19.5386  -17.9337
            9   N4y N    18.7013  -16.8172
            10  C1b C    20.8645  -17.9337
            11  N1y N    21.5623  -16.7474
            12  C1b C    18.7013  -15.4216
            13  C8y C    17.5150  -14.7238
            14  C8x C    17.5150  -13.3282
            15  C8x C    16.2590  -12.6304
            16  C8y C    15.0727  -13.3282
            17  C8x C    15.0727  -14.7238
            18  C8x C    16.2590  -15.4216
            19  X   Cl   13.8167  -12.6304
            20  C1x C    22.9579  -16.7474
            21  C1x C    23.3765  -15.4216
            22  C1x C    22.2601  -14.5843
            23  C1x C    21.1436  -15.4216
BOND        26
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     3   7 1
            8     7   8 2
            9     8   9 1
            10    4   9 1
            11    8  10 1
            12   10  11 1
            13    9  12 1
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21   16  19 1
            22   11  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   11  23 1

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