KEGG   DRUG: Nicardipine
Entry
D08270                      Drug                                   

Name
Nicardipine (INN);
Cardene (TN)
Formula
C26H29N3O6
Exact mass
479.2056
Mol weight
479.525
Structure
Simcomp
Class
Cardiovascular agent
 DG01928  Dihydropyridine calcium channel blocker
Other
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Remark
Same as: C07264
ATC code: C08CA04
Chemical structure group: DG00323
Product (DG00323): D00617<JP/US>
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
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07036  Calcium channel blocking drugs
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
     C08CA04 Nicardipine
      D08270  Nicardipine (INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D08270  Nicardipine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08270
Other DBs
CAS: 55985-32-5
PubChem: 96024957
ChEBI: 7550
ChEMBL: CHEMBL1484
DrugBank: DB00622
LigandBox: D08270
NIKKAJI: J11.098A
LinkDB
KCF data

ATOM        35
            1   C1y C    20.5800  -16.3800
            2   C8y C    20.5800  -17.7800
            3   C2y C    21.7700  -15.6800
            4   C2y C    19.3900  -15.6800
            5   C8x C    21.8400  -18.4800
            6   C8x C    19.3900  -18.4800
            7   C2y C    21.7700  -14.3500
            8   C7a C    23.0300  -16.3800
            9   C2y C    19.3900  -14.3500
            10  C7a C    18.2000  -16.3800
            11  C8y C    21.8400  -19.8100
            12  C8x C    19.3900  -19.8800
            13  N1x N    20.5800  -13.6500
            14  C1a C    23.0300  -13.6500
            15  O7a O    24.2200  -15.6800
            16  O6a O    23.0300  -17.7800
            17  C1a C    18.2000  -13.6500
            18  O7a O    17.0100  -15.6800
            19  O6a O    18.2000  -17.7800
            20  C8x C    20.6500  -20.5100
            21  N2b N    23.0300  -20.5100 #+
            22  C1b C    25.4100  -16.3800
            23  C1a C    15.8200  -16.3800
            24  O3a O    24.5000  -19.6000
            25  O3a O    23.0300  -22.2600 #-
            26  C1b C    26.6000  -15.6800
            27  N1c N    27.7900  -16.3800
            28  C1b C    28.9800  -15.6800
            29  C1a C    27.7900  -17.7800
            30  C8y C    30.1700  -16.3800
            31  C8x C    30.1700  -17.7800
            32  C8x C    31.3600  -15.6800
            33  C8x C    31.3600  -18.4800
            34  C8x C    32.5500  -16.3800
            35  C8x C    32.5500  -17.7800
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13    7  14 1
            14    8  15 1
            15    8  16 2
            16    9  17 1
            17   10  18 1
            18   10  19 2
            19   11  20 1
            20   11  21 1
            21   15  22 1
            22   18  23 1
            23   21  24 2
            24   21  25 1
            25   22  26 1
            26   26  27 1
            27   27  28 1
            28   27  29 1
            29   28  30 1
            30   30  31 2
            31   30  32 1
            32   31  33 1
            33   32  34 2
            34   33  35 2
            35    9  13 1
            36   12  20 2
            37   34  35 1

» Japanese version   » Back

KEGG   DRUG: Nicardipine hydrochloride
Entry
D00617                      Drug                                   

Name
Nicardipine hydrochloride (JP18/USAN);
Cardene (TN)
Product
  Generic
Formula
C26H29N3O6. HCl
Exact mass
515.1823
Mol weight
515.9859
Structure
Simcomp
Class
Cardiovascular agent
 DG01928  Dihydropyridine calcium channel blocker
Other
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Remark
Therapeutic category: 2149
ATC code: C08CA04
Chemical structure group: DG00323
Product (DG00323): D00617<JP/US>
Efficacy
Antihypertensive, Vasodilator, Calcium channel blocker
  Disease
Hypertension [DS:H01633]
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
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07036  Calcium channel blocking drugs
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
     C08CA04 Nicardipine
      D00617  Nicardipine hydrochloride (JP18/USAN) <JP/US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Calcium Channel Blocking Agents, Dihydropyridines
   Nicardipine
    D00617  Nicardipine hydrochloride (JP18/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   214  Antihypertensives
    2149  Others
     D00617  Nicardipine hydrochloride (JP18/USAN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D00617  Nicardipine hydrochloride (JP18/USAN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00617  Nicardipine hydrochloride
  D00617  Nicardipine hydrochloride injection
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00617
Other DBs
CAS: 54527-84-3
PubChem: 7847683
ChEBI: 7551
ChEMBL: CHEMBL1200326
DrugBank: DB00622
LigandBox: D00617
NIKKAJI: J245.477G
LinkDB
KCF data

ATOM        36
            1   C1y C    19.9164  -15.4819
            2   C8y C    19.9164  -16.8638
            3   C2y C    21.1058  -14.7939
            4   C2y C    18.7210  -14.7939
            5   C8x C    21.1175  -17.5519
            6   C8x C    18.7327  -17.5519
            7   C2y C    21.1058  -13.4118
            8   C7a C    22.3071  -15.4819
            9   C2y C    18.7210  -13.4118
            10  C7a C    17.5256  -15.4877
            11  C8y C    21.1234  -18.9280
            12  C8x C    18.7327  -18.9339
            13  N1x N    19.9164  -12.7238
            14  C1a C    22.3071  -12.7238
            15  O7a O    23.5024  -14.7939
            16  O6a O    22.3071  -16.8638
            17  C1a C    17.5256  -12.7238
            18  O7a O    16.3244  -14.7939
            19  O6a O    17.5256  -16.8638
            20  C8x C    19.9280  -19.6220
            21  N2b N    22.3245  -19.6220 #+
            22  C1b C    24.6976  -15.4819
            23  C1a C    15.1290  -15.4877
            24  O3a O    23.8231  -18.6598
            25  O3a O    22.3536  -21.3130 #-
            26  C1b C    25.8989  -14.7880
            27  N1c N    27.0884  -15.4819
            28  C1b C    28.2837  -14.7880
            29  C1a C    27.0943  -16.8638
            30  C8y C    29.4791  -15.4760
            31  C8x C    29.4791  -16.8581
            32  C8x C    30.6804  -14.7880
            33  C8x C    30.6804  -17.5461
            34  C8x C    31.8757  -15.4760
            35  C8x C    31.8757  -16.8581
            36  X   Cl   35.0069  -16.2400
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 1
            13    7  14 1
            14    8  15 1
            15    8  16 2
            16    9  17 1
            17   10  18 1
            18   10  19 2
            19   11  20 1
            20   11  21 1
            21   15  22 1
            22   18  23 1
            23   21  24 2
            24   21  25 1
            25   22  26 1
            26   26  27 1
            27   27  28 1
            28   27  29 1
            29   28  30 1
            30   30  31 2
            31   30  32 1
            32   31  33 1
            33   32  34 2
            34   33  35 2
            35    9  13 1
            36   12  20 2
            37   34  35 1

» Japanese version   » Back

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