KEGG   DRUG: Clentiazem maleateHelp
Entry
D03536                      Drug                                   

Name
Clentiazem maleate (JAN/USAN)
Formula
C22H25ClN2O4S. C4H4O4
Exact mass
564.1333
Mol weight
565.0351
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 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
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D03536  Clentiazem maleate (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 96128-92-6
PubChem: 47205847
ChEMBL: CHEMBL3989612
LigandBox: D03536
NIKKAJI: J306.610J
LinkDB All DBs
KCF data Show

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

» Japanese version   » Back

DBGET integrated database retrieval system