KEGG   DRUG: Vatanidipine hydrochlorideHelp
Entry
D01933                      Drug                                   

Name
Vatanidipine hydrochloride (JAN);
AE 0047;
Calbren (TN)
Formula
C41H42N4O6. 2HCl
Exact mass
758.2638
Mol weight
759.7173
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01928  Dihydropyridine calcium channel blocker
Other
 DG01575  Calcium channel blocker
Efficacy
Antihypertensive, 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
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D01933  Vatanidipine hydrochloride (JAN)
BRITE hierarchy
Other DBs
CAS: 133743-71-2
PubChem: 7848995
ChEBI: 32291
LigandBox: D01933
LinkDB All DBs
KCF data Show

ATOM        53
            1   C8y C    34.0474  -16.0465
            2   N1y N    35.2387  -16.7473
            3   C1x C    36.4300  -16.0465
            4   C1x C    37.6214  -16.7473
            5   N1y N    37.6214  -18.1488
            6   C1x C    36.4300  -18.8496
            7   C1x C    35.2387  -18.1488
            8   C1c C    38.8127  -18.8496
            9   C8y C    40.0741  -18.1488
            10  C8y C    38.8127  -20.2512
            11  C8x C    40.0741  -20.9520
            12  C8x C    40.0741  -22.3535
            13  C8x C    38.8127  -23.0543
            14  C8x C    37.6214  -22.3535
            15  C8x C    37.6214  -20.9520
            16  C8x C    40.0741  -16.7473
            17  C8x C    41.2654  -16.0465
            18  C8x C    42.4568  -16.7473
            19  C8x C    42.4568  -18.1488
            20  C8x C    41.2654  -18.8496
            21  C8x C    32.7860  -16.7473
            22  C8x C    31.5946  -16.0465
            23  C8y C    31.5946  -14.6449
            24  C8x C    32.7860  -13.9442
            25  C8x C    34.0474  -14.6449
            26  C1b C    30.4033  -13.9442
            27  C1b C    29.1419  -14.6449
            28  O7a O    27.9506  -13.9442
            29  C7a C    26.7592  -14.6449
            30  C2y C    25.4978  -13.9442
            31  O6a O    26.7592  -16.0465
            32  C1y C    24.3065  -14.6449
            33  C2y C    23.1152  -13.9442
            34  C2y C    23.1152  -12.5426
            35  N1x N    24.3065  -11.8418
            36  C2y C    25.4978  -12.5426
            37  C8y C    24.3065  -16.0465
            38  C8x C    25.4978  -16.7473
            39  C8y C    25.4978  -18.1488
            40  C8x C    24.3065  -18.8496
            41  C8x C    23.1152  -18.1488
            42  C8x C    23.1152  -16.7473
            43  C1a C    26.7592  -11.8418
            44  C1a C    21.8538  -11.8418
            45  N2b N    26.7592  -18.8496 #+
            46  O3a O    27.9506  -18.1488
            47  O3a O    26.7592  -20.2512 #-
            48  C7a C    21.8538  -14.6449
            49  O7a O    20.6624  -13.9442
            50  C1a C    19.4711  -14.6449
            51  O6a O    21.8538  -16.0465
            52  X   Cl   38.9200  -13.1600
            53  X   Cl   38.9200  -13.1600
BOND        56
            1     6   7 1
            2     7   2 1
            3     5   8 1
            4     8   9 1
            5     8  10 1
            6    10  11 2
            7    11  12 1
            8    12  13 2
            9    13  14 1
            10   14  15 2
            11   15  10 1
            12    9  16 2
            13   16  17 1
            14   17  18 2
            15   18  19 1
            16   19  20 2
            17   20   9 1
            18    1   2 1
            19    2   3 1
            20    3   4 1
            21    4   5 1
            22    5   6 1
            23    1  21 2
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28    1  25 1
            29   23  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   29  31 2
            35   30  32 1
            36   32  33 1
            37   33  34 2
            38   34  35 1
            39   35  36 1
            40   30  36 2
            41   32  37 1
            42   37  38 2
            43   38  39 1
            44   39  40 2
            45   40  41 1
            46   41  42 2
            47   37  42 1
            48   36  43 1
            49   34  44 1
            50   39  45 1
            51   45  46 2
            52   45  47 1
            53   33  48 1
            54   48  49 1
            55   49  50 1
            56   48  51 2
BRACKET     1    37.3800  -14.0000   37.3800  -12.2500
            1    39.6900  -12.2500   39.6900  -14.0000
            1  2
 ORIGINAL  1   52
 REPEAT    1   53

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