KEGG   DRUG: Lercanidipine hydrochlorideHelp
Entry
D01849                      Drug                                   

Name
Lercanidipine hydrochloride (JAN/USAN);
Cardiovasc (TN)
Formula
C36H41N3O6. HCl
Exact mass
647.2762
Mol weight
648.1882
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01928  Dihydropyridine calcium channel blocker
Other
 DG01575  Calcium channel blocker
Cyp substrate
 DG01633  CYP3A substrate
Remark
ATC code: 
Chemical group: 
Efficacy
Antihypertensive, Calcium channel blocker
Comment
Dihydropyridine derivative
Target
CACNA1C [HSA:775] [KO:K04850];
CACNA1D [HSA:776] [KO:K04851];
CACNA1F [HSA:778] [KO:K04853];
CACNA1S [HSA:779] [KO:K04857]
  Pathway
Calcium signaling pathway
Cardiac muscle contraction
Vascular smooth muscle contraction
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577], CYP3A7 [HSA:1551]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C08 CALCIUM CHANNEL BLOCKERS
   C08C SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
    C08CA Dihydropyridine derivatives
     C08CA13 Lercanidipine
      D01849  Lercanidipine hydrochloride (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated cation channels
   calcium channel
    Lercanidipine
     D01849  Lercanidipine hydrochloride (JAN/USAN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP3A4
   Lercanidipine
    D01849  Lercanidipine hydrochloride (JAN/USAN)
  CYP3A5
   Lercanidipine
    D01849  Lercanidipine hydrochloride (JAN/USAN)
  CYP3A7
   Lercanidipine
    D01849  Lercanidipine hydrochloride (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 
132866-11-6
PubChem: 
ChEBI: 
ChEMBL: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        46
            1   X   Cl   32.2853  -23.9052
            2   C1y C    20.8600  -18.6010
            3   C8y C    20.8600  -19.9829
            4   C2y C    22.0493  -17.9130
            5   C2y C    19.6648  -17.9130
            6   C8x C    22.0610  -20.6709
            7   C8x C    19.6765  -20.6709
            8   C2y C    22.0493  -16.5313
            9   C7a C    23.2504  -18.6010
            10  C2y C    19.6648  -16.5313
            11  C7a C    18.4696  -18.6069
            12  C8y C    22.0669  -22.0468
            13  C8x C    19.6765  -22.0526
            14  N1x N    20.8600  -15.8433
            15  C1a C    23.2504  -15.8433
            16  O7a O    24.4456  -17.9130
            17  O6a O    23.2504  -19.9829
            18  C1a C    18.4696  -15.8433
            19  O7a O    17.2684  -17.9130
            20  O6a O    18.4696  -19.9829
            21  C8x C    20.8717  -22.7405
            22  N2b N    23.2678  -22.7405 #+
            23  C1d C    25.6409  -18.6010
            24  C1a C    16.0732  -18.6069
            25  O3a O    24.7662  -21.7785
            26  O3a O    23.2269  -24.4313 #-
            27  C1b C    26.8418  -17.9073
            28  N1c N    28.0311  -18.6010
            29  C1b C    29.2263  -17.9073
            30  C1a C    27.9670  -19.9829
            31  C1b C    30.4215  -18.5953
            32  C1c C    31.6286  -17.8961
            33  C8y C    32.8375  -18.5920
            34  C8y C    31.6269  -16.5012
            35  C8x C    32.8356  -15.8060
            36  C8x C    32.8338  -14.4111
            37  C8x C    31.6249  -13.7153
            38  C8x C    30.4178  -14.4143
            39  C8x C    30.4195  -15.8092
            40  C8x C    32.8363  -19.9805
            41  C8x C    34.0454  -20.6764
            42  C8x C    35.2524  -19.9773
            43  C8x C    35.2506  -18.5824
            44  C8x C    34.0417  -17.8866
            45  C1a C    24.9304  -19.8050
            46  C1a C    26.3253  -19.8050
BOND        48
            1     9  16 1
            2     9  17 2
            3    10  18 1
            4    11  19 1
            5    11  20 2
            6    12  21 1
            7    12  22 1
            8    16  23 1
            9    19  24 1
            10   22  25 2
            11   22  26 1
            12   23  27 1
            13   27  28 1
            14   28  29 1
            15   28  30 1
            16   29  31 1
            17   10  14 1
            18   13  21 2
            19   31  32 1
            20   32  33 1
            21    2   3 1
            22   32  34 1
            23    2   4 1
            24    2   5 1
            25    3   6 1
            26    3   7 2
            27    4   8 2
            28   34  35 1
            29   35  36 2
            30   36  37 1
            31   37  38 2
            32   38  39 1
            33   39  34 2
            34    4   9 1
            35    5  10 2
            36    5  11 1
            37    6  12 2
            38    7  13 1
            39   33  40 1
            40   40  41 2
            41   41  42 1
            42   42  43 2
            43   43  44 1
            44   44  33 2
            45    8  14 1
            46   23  45 1
            47    8  15 1
            48   23  46 1

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