KEGG   DRUG: Tiapamil hydrochlorideHelp
Entry
D06129                      Drug                                   

Name
Tiapamil hydrochloride (USAN)
Formula
C26H37NO8S2. HCl. H2O
Exact mass
609.1833
Mol weight
610.1801
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01653  Antiarrhythmics
  DG01807  Phenylalkylamine derivative
Efficacy
Vasodilator, Calcium channel blocker
Comment
Antianginal
Target
CACNA1-L [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
  Pathway
hsa04010  MAPK signaling pathway
hsa04020  Calcium signaling pathway
hsa04260  Cardiac muscle contraction
hsa04270  Vascular smooth muscle contraction
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D06129  Tiapamil hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 87434-83-1
PubChem: 47207787
ChEMBL: CHEMBL3989745
LigandBox: D06129
LinkDB All DBs
KCF data Show

ATOM        39
            1   C1z C    21.3287  -17.9208
            2   C8y C    20.1245  -18.6222
            3   C1b C    22.5443  -18.6162
            4   C8x C    18.9088  -17.9208
            5   C8x C    20.1245  -20.0250
            6   C1b C    23.7601  -17.9149
            7   C8y C    17.6932  -18.6222
            8   C8x C    18.9088  -20.7321
            9   C1b C    24.9699  -18.6046
            10  C8y C    17.6932  -20.0250
            11  O2a O    16.4716  -17.9208
            12  N1c N    26.1857  -17.9091
            13  O2a O    16.4716  -20.7321
            14  C1a C    15.2558  -18.6222
            15  C1b C    27.4014  -18.5988
            16  C1a C    26.1857  -16.5006
            17  C1a C    15.2558  -20.0308
            18  C1b C    28.6172  -17.9031
            19  C8y C    29.8211  -18.5929
            20  C8x C    31.0369  -17.8915
            21  C8x C    29.8271  -19.9899
            22  C8y C    32.2469  -18.5871
            23  C8x C    31.0427  -20.6913
            24  C8y C    32.2527  -19.9840
            25  O2a O    33.4625  -17.8800
            26  C1a C    34.6841  -18.5755
            27  O2a O    33.4613  -20.6743
            28  C1a C    34.6561  -19.9772
            29  S2x S    22.5468  -17.2253
            30  C1x C    22.5535  -15.8245
            31  C1x C    21.3438  -15.1183
            32  C1x C    20.0557  -15.8138
            33  S2x S    20.1189  -17.2146
            34  O3c O    18.7179  -17.2253
            35  O3c O    19.1382  -16.2447
            36  O3c O    23.5274  -16.2447
            37  O3c O    23.9476  -17.2253
            38  X   Cl   21.0700  -22.8900
            39  O0  O    26.6700  -22.9600
BOND        39
            1     1   2 1
            2     1   3 1
            3     2   4 2
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 2
            8     6   9 1
            9     7  10 2
            10    7  11 1
            11    9  12 1
            12   10  13 1
            13   11  14 1
            14   12  15 1
            15   12  16 1
            16   13  17 1
            17   15  18 1
            18   18  19 1
            19   19  20 1
            20   19  21 2
            21   20  22 2
            22   21  23 1
            23   22  24 1
            24   22  25 1
            25   25  26 1
            26    8  10 1
            27   23  24 2
            28   24  27 1
            29   27  28 1
            30    1  29 1
            31   29  30 1
            32   30  31 1
            33   31  32 1
            34   32  33 1
            35    1  33 1
            36   33  34 2
            37   33  35 2
            38   29  36 2
            39   29  37 2

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