KEGG   DRUG: Clemizole hydrochlorideHelp
Entry
D01705                      Drug                                   

Name
Clemizole hydrochloride (JAN);
Allercur (TN);
Reactrol (TN)
Formula
C19H20ClN3. HCl
Exact mass
361.1113
Mol weight
362.2961
Structure
Mol fileKCF fileDB search
Remark
Chemical structure group: DG02846
Efficacy
Antiallergic, TRP channel inhibitor
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
     D01705  Clemizole hydrochloride (JAN)
BRITE hierarchy
Other DBs
CAS: 1163-36-6
PubChem: 7848768
ChEBI: 31409
LigandBox: D01705
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8x C    22.3879  -17.2784
            2   C8x C    23.5779  -17.9657
            3   C8y C    24.7955  -17.2630
            4   C8y C    24.7957  -15.8573
            5   C8x C    23.6057  -15.1700
            6   C8x C    22.3881  -15.8726
            7   N5x N    26.1324  -17.6977
            8   C8y C    26.9589  -16.5606
            9   N4y N    26.1328  -15.4231
            10  C1b C    28.3330  -16.5609
            11  N1y N    29.0350  -15.3456
            12  C1b C    26.1328  -14.0231
            13  C8y C    24.9203  -13.3231
            14  C8x C    24.9203  -11.9000
            15  C8x C    23.7079  -11.2000
            16  C8y C    22.4955  -11.9000
            17  C8x C    22.4955  -13.3231
            18  C8x C    23.7079  -14.0231
            19  X   Cl   21.2641  -11.1888
            20  C1x C    30.4350  -15.3456
            21  C1x C    30.8676  -14.0141
            22  C1x C    29.7350  -13.1912
            23  C1x C    28.6023  -14.0141
            24  X   Cl   30.8700  -17.4300
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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