KEGG   DRUG: Efonidipine
Entry
D07886                      Drug                                   

Name
Efonidipine (INN)
Formula
C34H38N3O7P
Exact mass
631.2447
Mol weight
631.6552
Structure
Simcomp
Class
Cardiovascular agent
 DG01928  Dihydropyridine calcium channel blocker
Other
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
  DG01573  Calcium channel T type blocker
Remark
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
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D07886  Efonidipine (INN)
Other DBs
CAS: 111011-63-3
PubChem: 96024582
ChEBI: 135859
ChEMBL: CHEMBL2074922
LigandBox: D07886
NIKKAJI: J364.459F
LinkDB
KCF data

ATOM        45
            1   C1y C    21.2100  -16.5900
            2   C2y C    22.4000  -15.8900
            3   C2y C    19.9500  -15.8900
            4   C8y C    21.2100  -17.9900
            5   C2y C    22.4000  -14.4900
            6   C7a C    23.5900  -16.5900
            7   C2y C    19.9500  -14.4900
            8   P1b P    18.7600  -16.5900
            9   C8x C    22.4000  -18.6900
            10  C8x C    19.9500  -18.6900
            11  N1x N    21.2100  -13.7900
            12  C1a C    23.5900  -13.7200
            13  O7a O    24.7800  -15.8900
            14  O6a O    23.5900  -17.9900
            15  C1a C    18.7600  -13.7900
            16  C8y C    22.4000  -20.0900
            17  C8x C    19.9500  -20.0900
            18  C1b C    26.0400  -16.5900
            19  C8x C    21.2100  -20.7900
            20  N2b N    23.5900  -20.7900 #+
            21  C1b C    27.2300  -15.8200
            22  O3a O    24.9900  -19.9500
            23  O3a O    23.5900  -22.1900 #-
            24  O2x O    18.7600  -17.9900
            25  C1x C    17.5000  -18.6900
            26  C1z C    16.3100  -17.9900
            27  C1x C    16.3100  -16.5900
            28  O2x O    17.5700  -15.8900
            29  O3b O    18.7600  -15.1900
            30  N1c N    28.4200  -16.5200
            31  C1b C    29.6800  -15.8900
            32  C8y C    30.8700  -16.5200
            33  C8x C    32.0600  -15.8900
            34  C8x C    33.2500  -16.5900
            35  C8x C    33.2500  -17.9200
            36  C8x C    32.0600  -18.6200
            37  C8x C    30.8700  -17.9200
            38  C8y C    28.4200  -17.9200
            39  C8x C    29.6100  -18.6200
            40  C8x C    29.6100  -20.0200
            41  C8x C    28.4200  -20.7200
            42  C8x C    27.2300  -20.0200
            43  C8x C    27.2300  -18.6200
            44  C1a C    15.0500  -18.6900
            45  C1a C    15.1200  -17.2900
BOND        49
            1    20  22 2
            2    20  23 1
            3     7  11 1
            4    17  19 2
            5     1   2 1
            6     1   3 1
            7     1   4 1
            8     8  24 1
            9    24  25 1
            10   25  26 1
            11   26  27 1
            12   27  28 1
            13   28   8 1
            14    2   5 2
            15    8  29 2
            16    2   6 1
            17    3   7 2
            18    3   8 1
            19   21  30 1
            20    4   9 1
            21   30  31 1
            22    4  10 2
            23   31  32 1
            24    5  11 1
            25    5  12 1
            26    6  13 1
            27    6  14 2
            28    7  15 1
            29   32  33 2
            30   33  34 1
            31   34  35 2
            32   35  36 1
            33   36  37 2
            34   37  32 1
            35    9  16 2
            36   30  38 1
            37   10  17 1
            38   13  18 1
            39   16  19 1
            40   16  20 1
            41   18  21 1
            42   38  39 2
            43   39  40 1
            44   40  41 2
            45   41  42 1
            46   42  43 2
            47   43  38 1
            48   26  44 1
            49   26  45 1

» Japanese version   » Back

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
 DG01928  Dihydropyridine calcium channel blocker
Other
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
  DG01573  Calcium channel T type 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)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D01604  Efonidipine hydrochloride ethanolate (JAN) <JP>
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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