KEGG   DRUG: LercanidipineHelp
Entry
D08111                      Drug                                   

Name
Lercanidipine (INN);
Lercanil (TN)
Formula
C36H41N3O6
Exact mass
611.2995
Mol weight
611.7272
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: 
Activity
Antihypertensive, Calcium channel blocker
Comment
Dihydropyridine derivative
Target
CACNA1-L [HSA:775 776 778 779] [KO:K04850 K04851 K04853 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
      D08111  Lercanidipine (INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated cation channels
   Ca2+ channel, CACN alpha-1, CaVx.x
    calcium channel
     Lercanidipine
      D08111  Lercanidipine (INN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP3A4
   Lercanidipine
    D08111  Lercanidipine (INN)
  CYP3A5
   Lercanidipine
    D08111  Lercanidipine (INN)
  CYP3A7
   Lercanidipine
    D08111  Lercanidipine (INN)
BRITE hierarchy
Other DBs
CAS: 
100427-26-7
PubChem: 
ChEMBL: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        45
            1   C1y C    19.3200  -17.5000
            2   C8y C    19.3200  -18.8300
            3   C2y C    20.5100  -16.8000
            4   C2y C    18.1300  -16.8000
            5   C8x C    20.5100  -19.5300
            6   C8x C    18.1300  -19.5300
            7   C2y C    20.5100  -15.4000
            8   C7a C    21.7000  -17.5000
            9   C2y C    18.1300  -15.4000
            10  C7a C    16.9400  -17.5000
            11  C8y C    20.5100  -20.9300
            12  C8x C    18.1300  -20.9300
            13  N1x N    19.3200  -14.7000
            14  C1a C    21.7000  -14.7000
            15  O7a O    22.8900  -16.8000
            16  O6a O    21.7000  -18.8300
            17  C1a C    16.9400  -14.7000
            18  O7a O    15.7500  -16.8000
            19  O6a O    16.9400  -18.8300
            20  C8x C    19.3200  -21.6300
            21  N2b N    21.7000  -21.6300 #+
            22  C1d C    24.0800  -17.5000
            23  C1a C    14.5600  -17.5000
            24  O3a O    23.2400  -20.6500
            25  O3a O    21.7000  -23.3100 #-
            26  C1b C    25.2700  -16.8000
            27  N1c N    26.4600  -17.5000
            28  C1b C    27.7200  -16.8000
            29  C1a C    26.4600  -18.8300
            30  C1b C    28.9100  -17.5000
            31  C1c C    30.1000  -16.8000
            32  C8y C    31.2900  -17.5000
            33  C8y C    30.1000  -15.4000
            34  C8x C    31.2900  -14.7000
            35  C8x C    31.2900  -13.3000
            36  C8x C    30.1000  -12.6000
            37  C8x C    28.9100  -13.3000
            38  C8x C    28.9100  -14.7000
            39  C8x C    31.2900  -18.8300
            40  C8x C    32.4800  -19.5300
            41  C8x C    33.7400  -18.8300
            42  C8x C    33.7400  -17.4300
            43  C8x C    32.4800  -16.8000
            44  C1a C    23.3800  -18.6900
            45  C1a C    24.7800  -18.6900
BOND        48
            1     8  15 1
            2     8  16 2
            3     9  17 1
            4    10  18 1
            5    10  19 2
            6    11  20 1
            7    11  21 1
            8    15  22 1
            9    18  23 1
            10   21  24 2
            11   21  25 1
            12   22  26 1
            13   26  27 1
            14   27  28 1
            15   27  29 1
            16   28  30 1
            17    9  13 1
            18   12  20 2
            19   30  31 1
            20   31  32 1
            21    1   2 1
            22   31  33 1
            23    1   3 1
            24    1   4 1
            25    2   5 1
            26    2   6 2
            27    3   7 2
            28   33  34 1
            29   34  35 2
            30   35  36 1
            31   36  37 2
            32   37  38 1
            33   38  33 2
            34    3   8 1
            35    4   9 2
            36    4  10 1
            37    5  11 2
            38    6  12 1
            39   32  39 1
            40   39  40 2
            41   40  41 1
            42   41  42 2
            43   42  43 1
            44   43  32 2
            45    7  13 1
            46   22  44 1
            47    7  14 1
            48   22  45 1

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