KEGG   DRUG: Efonidipine hydrochloride ethanolate
Entry
D01604                      Drug                                   
Name
Efonidipine hydrochloride ethanolate (JAN);
Efonidipine hydrochloride ethanol;
Efonidipine hydrochloride;
NZ 105 ethanolate;
Landel (TN)
Formula
C34H38N3O7P. C2H6O. HCl
Exact mass
713.2633
Mol weight
714.1846
Structure
Simcomp
Class
Cardiovascular agent
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
  DG01573  Calcium channel T type blocker
 DG03231  Antihypertensive
  DG01928  Dihydropyridine calcium channel blocker
Remark
Therapeutic category: 2149
Chemical structure group: DG01382
Product (DG01382): D01604<JP>
Efficacy
Antihypertensive, Vasodilator, Calcium channel blocker
Comment
Dihydropyridine derivative
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
Structure map
map07036  Calcium channel blocking drugs
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   214  Antihypertensives
    2149  Others
     D01604  Efonidipine hydrochloride ethanolate (JAN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG01382  Efonidipine
     D01604  Efonidipine hydrochloride ethanolate
   DG01573  Calcium channel T type blocker
    DG01382  Efonidipine
     D01604  Efonidipine hydrochloride ethanolate
  DG03231  Antihypertensive
   DG01928  Dihydropyridine calcium channel blocker
    DG01382  Efonidipine
     D01604  Efonidipine hydrochloride ethanolate
Drug classes [BR:br08332]
 Cardiovascular agent
  DG01928  Dihydropyridine calcium channel blocker
   D01604  Efonidipine hydrochloride ethanolate
  DG03231  Antihypertensive
   D01604  Efonidipine hydrochloride ethanolate
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D01604  Efonidipine hydrochloride ethanolate (JAN) <JP>
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG01382  Efonidipine
   DG01573  Calcium channel T type blocker
    DG01382  Efonidipine
  DG03231  Antihypertensive
   DG01928  Dihydropyridine calcium channel blocker
    DG01382  Efonidipine
Other DBs
CAS: 111011-76-8
PubChem: 7848667
ChEBI: 31532
LigandBox: D01604
LinkDB
KCF data

ATOM        49
            1   X   Cl   33.4838  -19.3127
            2   C1y C    27.1641  -14.0463
            3   C2y C    28.3578  -13.3441
            4   C2y C    25.9002  -13.3441
            5   C8y C    27.1641  -15.4507
            6   C2y C    28.3578  -11.9398
            7   C7a C    29.5515  -14.0463
            8   C2y C    25.9002  -11.9398
            9   P1b P    24.7064  -14.0463
            10  C8x C    28.3578  -16.1529
            11  C8x C    25.9002  -16.1529
            12  N1x N    27.1641  -11.2376
            13  C1a C    29.5515  -11.1674
            14  O7a O    30.7452  -13.3441
            15  O6a O    29.5515  -15.4507
            16  C1a C    24.7064  -11.2376
            17  C8y C    28.3578  -17.5573
            18  C8x C    25.9002  -17.5573
            19  C1b C    32.0092  -14.0463
            20  C8x C    27.1641  -18.2594
            21  N2b N    29.5515  -18.2594 #+
            22  C1b C    33.2029  -13.2739
            23  O3a O    30.9555  -17.4173
            24  O3a O    29.5515  -19.6638 #-
            25  O2x O    24.7064  -15.4507
            26  C1x C    23.4425  -16.1529
            27  C1z C    22.2488  -15.4507
            28  C1x C    22.2488  -14.0463
            29  O2x O    23.5127  -13.3441
            30  O3b O    24.7064  -12.6420
            31  N1c N    34.3966  -13.9761
            32  C1b C    35.6605  -13.3441
            33  C8y C    36.8543  -13.9761
            34  C8x C    38.0480  -13.3441
            35  C8x C    39.2417  -14.0463
            36  C8x C    39.2417  -15.3805
            37  C8x C    38.0480  -16.0827
            38  C8x C    36.8543  -15.3805
            39  C8y C    34.3968  -15.3805
            40  C8x C    35.5905  -16.0827
            41  C8x C    35.5905  -17.4870
            42  C8x C    34.3968  -18.1892
            43  C8x C    33.2031  -17.4870
            44  C8x C    33.2031  -16.0827
            45  C1a C    21.0338  -16.1456
            46  C1a C    21.0545  -14.7581
            47  C1a C    39.1012  -19.3127
            48  C1b C    37.9075  -18.6105
            49  O1a O    36.6436  -19.3127
BOND        51
            1    21  23 2
            2    21  24 1
            3     8  12 1
            4    18  20 2
            5     2   3 1
            6     2   4 1
            7     2   5 1
            8     9  25 1
            9    25  26 1
            10   26  27 1
            11   27  28 1
            12   28  29 1
            13   29   9 1
            14    3   6 2
            15    9  30 2
            16    3   7 1
            17    4   8 2
            18    4   9 1
            19   22  31 1
            20    5  10 1
            21   31  32 1
            22    5  11 2
            23   32  33 1
            24    6  12 1
            25    6  13 1
            26    7  14 1
            27    7  15 2
            28    8  16 1
            29   33  34 2
            30   34  35 1
            31   35  36 2
            32   36  37 1
            33   37  38 2
            34   38  33 1
            35   10  17 2
            36   31  39 1
            37   11  18 1
            38   14  19 1
            39   17  20 1
            40   17  21 1
            41   19  22 1
            42   39  40 2
            43   40  41 1
            44   41  42 2
            45   42  43 1
            46   43  44 2
            47   44  39 1
            48   27  45 1
            49   27  46 1
            50   47  48 1
            51   48  49 1

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