KEGG   DRUG: Clentiazem maleate
Entry
D03536                      Drug                                   
Name
Clentiazem maleate (JAN/USAN)
Formula
C22H25ClN2O4S. C4H4O4
Exact mass
564.1333
Mol weight
565.0351
Structure
Simcomp
Class
Cardiovascular agent
 DG01575  Calcium channel blocker
Efficacy
Antiarrhythmic, Antihypertensive, Calcium channel blocker
Comment
Diltiazem derivative (benzodiazepines)
Target
CACNA1-L [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
  Pathway
hsa04020  Calcium signaling pathway
hsa04260  Cardiac muscle contraction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
Interaction
Brite
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   D03536  Clentiazem maleate
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D03536  Clentiazem maleate (JAN/USAN)
Other DBs
CAS: 96128-92-6
PubChem: 47205847
LigandBox: D03536
NIKKAJI: J306.610J
LinkDB
KCF data

ATOM        38
            1   C6a C    33.5610  -19.0977
            2   C2b C    32.7931  -17.9109
            3   O6a O    32.8629  -20.2845
            4   O6a O    34.8875  -19.0977
            5   C2b C    31.1874  -17.9109
            6   C6a C    30.5591  -19.0977
            7   O6a O    29.1629  -19.0977
            8   O6a O    31.1874  -20.2845
            9   C1y C    20.7133  -17.6494
            10  S2x S    21.9773  -17.0660
            11  C8y C    23.2296  -17.6847
            12  C8y C    23.5229  -19.0398
            13  C1y C    20.3866  -19.0161
            14  N1y N    22.6460  -20.1296
            15  C5x C    21.2485  -20.1151
            16  C8x C    24.8523  -19.4664
            17  C8x C    25.8865  -18.5283
            18  C8y C    25.5933  -17.1732
            19  C8x C    24.2639  -16.7466
            20  X   Cl   26.6477  -16.2173
            21  C8y C    19.6260  -16.7586
            22  C8x C    19.6162  -15.3280
            23  C8x C    18.3995  -14.6429
            24  C8y C    17.1980  -15.3541
            25  C8x C    17.2133  -16.7794
            26  C8x C    18.4300  -17.4644
            27  O2a O    15.9912  -14.6742
            28  C1a C    14.7614  -15.4015
            29  O7a O    19.0009  -19.3188
            30  O5x O    20.6241  -21.3806
            31  C1b C    23.2526  -21.4140
            32  C1b C    24.6488  -21.4140
            33  N1c N    25.3355  -22.6036
            34  C1a C    26.7194  -22.6037
            35  C1a C    24.6406  -23.8063
            36  C7a C    18.5775  -20.6470
            37  C1a C    17.1915  -20.9499
            38  O6a O    19.4989  -21.6591
BOND        39
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     5   6 1
            6     6   7 1
            7     6   8 2
            8    11  12 1
            9     9  13 1
            10   12  14 1
            11   10  11 1
            12   13  15 1
            13    9  10 1
            14   14  15 1
            15   12  16 2
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   11  19 2
            20   18  20 1
            21    9  21 1 #Down
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   24  25 1
            26   25  26 2
            27   21  26 1
            28   24  27 1
            29   27  28 1
            30   13  29 1 #Down
            31   15  30 2
            32   14  31 1
            33   31  32 1
            34   32  33 1
            35   33  34 1
            36   33  35 1
            37   29  36 1
            38   36  37 1
            39   36  38 2

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