KEGG   DRUG: D01849Help
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
Activity
Antihypertensive compound;
Calcium channel blocker
Remark
ATC code: 
Drug group: 
Comment
dihydropyridine calcium channel blocker
Target
L-type calcium channel blocker [HSA:775 776 778 779] [KO:K04850 K04851 K04853 K04857]
  Pathway
hsa04020  Calcium signaling pathway
hsa04260  Cardiac muscle contraction
hsa04270  Vascular smooth muscle contraction  
 
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577], CYP3A7 [HSA:1551]
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
   Ca2+ channel, CACN alpha-1, CaVx.x
    calcium channel
     Lercanidipine
      D01849  Lercanidipine hydrochloride (JAN/USAN)
Cytochrome P450 interactions [BR:br08309]
 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: 
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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