KEGG   DRUG: Amlodipine
Entry
D07450                      Drug                                   

Name
Amlodipine (USP/INN);
Norvasc (TN)
Formula
C20H25ClN2O5
Exact mass
408.1452
Mol weight
408.8759
Structure
Simcomp
Class
Cardiovascular agent
 DG01928  Dihydropyridine calcium channel blocker
 DG01575  Calcium channel blocker
  DG01496  Calcium channel L type blocker
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Same as: C06825
ATC code: C08CA01
Chemical structure group: DG00322
Product (DG00322): D00615<JP/US> D11881<US>
Product (mixture): D10805<JP> D11069<US> D11581<US> D11705<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
     C08CA01 Amlodipine
      D07450  Amlodipine (USP/INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01928  Dihydropyridine calcium channel blocker
   DG00322  Amlodipine
    D07450  Amlodipine
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00322  Amlodipine
     D07450  Amlodipine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00322  Amlodipine
     D07450  Amlodipine
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Calcium channels
    CACNA1-L
     D07450  Amlodipine (USP/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07450
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01928  Dihydropyridine calcium channel blocker
   DG00322  Amlodipine
  DG01575  Calcium channel blocker
   DG01496  Calcium channel L type blocker
    DG00322  Amlodipine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00322  Amlodipine
Other DBs
CAS: 88150-42-9
PubChem: 51091781
ChEBI: 2668
ChEMBL: CHEMBL1491
DrugBank: DB00381
LigandBox: D07450
NIKKAJI: J33.383B
KCF data

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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