KEGG   DRUG: AmlodipineHelp
Entry
D07450                      Drug                                   

Name
Amlodipine (USAN/INN);
Norvasc (TN)
Formula
C20H25ClN2O5
Exact mass
408.1452
Mol weight
408.8759
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01928  Dihydropyridine calcium channel blocker
Other
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
Enzyme substrate
 DG01633  CYP3A substrate
Remark
Same as: C06825
ATC code: C08CA01
Chemical structure group: DG00322
Product (DG00322): D00615<JP/US>
Product (mixture): D11069<US> D10805<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
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug 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
     C08CA01 Amlodipine
      D07450  Amlodipine (USAN/INN)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Calcium Channel Blocking Agents
   Amlodipine
    D07450  Amlodipine (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D07450  Amlodipine (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 88150-42-9
PubChem: 51091781
ChEBI: 2668
ChEMBL: CHEMBL1491
DrugBank: DB00381
LigandBox: D07450
NIKKAJI: J33.383B
LinkDB All DBs
KCF data Show

ATOM        28
            1   C1y C    22.9600  -16.8000
            2   C2y C    24.1500  -16.1000
            3   C2y C    21.7700  -16.1000
            4   C8y C    22.9600  -19.1800
            5   C2y C    24.1500  -14.7000
            6   C7a C    25.3400  -16.8000
            7   C2y C    21.7700  -14.7000
            8   C7a C    20.5800  -16.7300
            9   C8y C    24.1500  -19.8800
            10  C8x C    21.7700  -19.8800
            11  N1x N    22.9600  -14.0000
            12  C1b C    25.3400  -14.0000
            13  O7a O    26.5300  -16.1000
            14  O6a O    25.3400  -18.1300
            15  C1a C    20.5800  -14.0000
            16  O7a O    19.3900  -16.1000
            17  O6a O    20.5800  -18.1300
            18  C8x C    24.1500  -21.2100
            19  X   Cl   25.3400  -19.1800
            20  C8x C    21.7700  -21.2100
            21  O2a O    26.5300  -14.7000
            22  C1b C    27.7200  -16.8000
            23  C1a C    18.2000  -16.7300
            24  C8x C    22.9600  -21.9100
            25  C1b C    27.7200  -14.0000
            26  C1a C    28.9100  -16.1000
            27  C1b C    28.9100  -14.7000
            28  N1a N    30.1000  -14.0000
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 2
            14    7  15 1
            15    8  16 1
            16    8  17 2
            17    9  18 2
            18    9  19 1
            19   10  20 1
            20   12  21 1
            21   13  22 1
            22   16  23 1
            23   18  24 1
            24   21  25 1
            25   22  26 1
            26   25  27 1
            27   27  28 1
            28    7  11 1
            29   20  24 2

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