KEGG   DRUG: Kirenidipine hydrochloride
Entry
D09789                      Drug                                   
Name
Kirenidipine hydrochloride (JAN)
Formula
C28H38N4O6. 2HCl
Exact mass
598.2325
Mol weight
599.5464
Structure
Class
Cardiovascular agent
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
 DG03231  Antihypertensive
  DG01928  Dihydropyridine calcium channel blocker
Efficacy
Antihypertensive, Calcium channel blocker
Comment
Dihydropiridine calcium channel blocker
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
Brite
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    D09789  Kirenidipine hydrochloride
  DG03231  Antihypertensive
   DG01928  Dihydropyridine calcium channel blocker
    D09789  Kirenidipine hydrochloride
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D09789  Kirenidipine hydrochloride (JAN)
Other DBs
CAS: 117241-46-0
PubChem: 124490529
LigandBox: D09789
LinkDB
KCF data

ATOM        40
            1   C2y C    14.3500  -18.6200
            2   C2y C    14.3500  -20.0200
            3   C1y C    15.5624  -20.7200
            4   C2y C    16.7749  -20.0200
            5   C2y C    16.7749  -18.6200
            6   N1x N    15.5624  -17.9200
            7   C8y C    15.5624  -22.1198
            8   C8x C    14.3332  -22.8297
            9   C8x C    14.3334  -24.2297
            10  C8x C    15.5459  -24.9296
            11  C8y C    16.7751  -24.2197
            12  C8x C    16.7749  -22.8197
            13  C1a C    18.0060  -17.9090
            14  C1a C    13.1376  -17.9200
            15  N2b N    18.0063  -24.9306 #+
            16  O3a O    19.4909  -24.0950 #-
            17  O3a O    18.0062  -26.3199
            18  C7a C    13.1376  -20.7200
            19  O7a O    11.9421  -20.0296
            20  O6a O    13.1375  -22.1198
            21  C1a C    10.7547  -20.7151
            22  C7a C    18.0060  -20.7310
            23  O7a O    19.2112  -20.0353
            24  O6a O    18.0057  -22.1199
            25  C1b C    20.3935  -20.7181
            26  C1d C    21.5875  -20.0288
            27  C1b C    22.7754  -20.7148
            28  C1a C    20.8875  -18.8164
            29  C1a C    22.2875  -18.8164
            30  N1y N    23.9665  -20.0271
            31  C1x C    25.1559  -20.7139
            32  C1x C    26.3684  -20.0140
            33  N1y N    26.3685  -18.6140
            34  C1x C    25.1791  -17.9272
            35  C1x C    23.9666  -18.6271
            36  C1b C    27.5943  -17.9062
            37  C2b C    28.8019  -18.6033
            38  C2a C    29.9832  -17.9213
            39  X   Cl   23.8000  -23.4500
            40  X   Cl   23.8000  -23.4500
BOND        40
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     3   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13    7  12 2
            14    5  13 1
            15    1  14 1
            16   11  15 1
            17   15  16 1
            18   15  17 2
            19    2  18 1
            20   18  19 1
            21   18  20 2
            22   19  21 1
            23    4  22 1
            24   22  23 1
            25   22  24 2
            26   23  25 1
            27   25  26 1
            28   26  27 1
            29   26  28 1
            30   26  29 1
            31   27  30 1
            32   30  31 1
            33   31  32 1
            34   32  33 1
            35   33  34 1
            36   34  35 1
            37   30  35 1
            38   33  36 1
            39   36  37 1
            40   37  38 2
BRACKET     1    22.4700  -24.0100   22.4700  -22.8200
            1    24.5000  -22.8200   24.5000  -24.0100
            1  2
 ORIGINAL  1   39
 REPEAT    1   40

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