KEGG   DRUG: Candesartan cilexetil
Entry
D00626                      Drug                                   
Name
Candesartan cilexetil (JP18/USP);
Atacand (TN)
Product
  Generic
Formula
C33H34N6O6
Exact mass
610.254
Mol weight
610.6597
Structure
Simcomp
Class
Cardiovascular agent
 DG01925  Renin-angiotensin system inhibitor
  DG01495  Angiotensin II receptor antagonist
 DG03231  Antihypertensive
  DG01495  Angiotensin II receptor antagonist
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
 DG02970  CES substrate
Remark
Same as: C07709
Therapeutic category: 2149 2179
ATC code: C09CA06
Chemical structure group: DG00350
Product (DG00350): D00626<JP/US>
Product (mixture): D07569<JP> D09196<JP/US>
Efficacy
Antihypertensive, Angiotensin II receptor antagonist
  Disease
Hypertension [DS:H01633]
Comment
Active form of prodrug: Candesartan [DR:D00522]
Target
AGTR1 [HSA:185] [KO:K04166]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
hsa04614  Renin-angiotensin system
Metabolism
Enzyme: CES [HSA:1066 8824 23491 221223], CYP2C9 [HSA:1559]
Interaction
Structure map
map07229  Angiotensin receptor and endothelin receptor antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C09 AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
   C09C ANGIOTENSIN II RECEPTOR BLOCKERS (ARBs), PLAIN
    C09CA Angiotensin II receptor blockers, plain
     C09CA06 Candesartan
      D00626  Candesartan cilexetil (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Angiotensin II Receptor Antagonists
   Candesartan
    D00626  Candesartan cilexetil (JP18/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   214  Antihypertensives
    2149  Others
     D00626  Candesartan cilexetil (JP18/USP)
   217  Vasodilators
    2179  Others
     D00626  Candesartan cilexetil (JP18/USP)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01925  Renin-angiotensin system inhibitor
   DG01495  Angiotensin II receptor antagonist
    DG00350  Candesartan
     D00626  Candesartan cilexetil
  DG03231  Antihypertensive
   DG01495  Angiotensin II receptor antagonist
    DG00350  Candesartan
     D00626  Candesartan cilexetil
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG00350  Candesartan
    D00626  Candesartan cilexetil
  DG02970  CES substrate
   D00626  Candesartan cilexetil
Drug classes [BR:br08332]
 Cardiovascular agent
  DG01495  Angiotensin II receptor antagonist
   D00626  Candesartan cilexetil
  DG03231  Antihypertensive
   D00626  Candesartan cilexetil
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Angiotensin
    AGTR1
     D00626  Candesartan cilexetil (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00626  Candesartan cilexetil
  D00626  Candesartan cilexetil tablets
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00626
Prodrugs [br08324.html]
 D00626
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01925  Renin-angiotensin system inhibitor
   DG01495  Angiotensin II receptor antagonist
    DG00350  Candesartan
  DG03231  Antihypertensive
   DG01495  Angiotensin II receptor antagonist
    DG00350  Candesartan
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   DG00350  Candesartan
Other DBs
CAS: 145040-37-5
PubChem: 7847692
ChEBI: 3348
LigandBox: D00626
LinkDB
KCF data

ATOM        45
            1   C8y C    22.5038  -13.1468
            2   N4y N    22.0601  -11.8210
            3   C8y C    23.8997  -13.1525
            4   C8y C    21.8032  -14.3557
            5   C8y C    23.1989  -10.9859
            6   C1b C    20.8336  -11.1319
            7   N5x N    24.3377  -11.8210
            8   C8x C    24.5946  -14.3615
            9   C8x C    22.4981  -15.5646
            10  C7a C    21.0907  -15.5587
            11  O2a O    23.1989   -9.5843
            12  C8y C    19.6306  -11.8561
            13  C8x C    23.8938  -15.5704
            14  O7a O    19.6890  -15.5470
            15  O6a O    21.7739  -16.7735
            16  C1b C    24.4135   -8.8836
            17  C8x C    18.3983  -11.1729
            18  C8x C    19.6597  -13.2343
            19  C1c C    18.9882  -16.7501
            20  C1a C    24.4135   -7.4820
            21  C8x C    17.1953  -11.8971
            22  C8x C    18.4451  -13.9819
            23  O7a O    17.5923  -16.7501
            24  C1a C    19.6773  -17.9590
            25  C8y C    17.2302  -13.2987
            26  C7a C    16.8974  -17.9531
            27  C8y C    16.0215  -14.0170
            28  O7a O    15.5075  -17.9531
            29  O6a O    17.5923  -19.1680
            30  C8y C    14.7892  -13.3395
            31  C8x C    16.0447  -15.4186
            32  C1y C    14.8067  -19.1620
            33  C8y C    14.7658  -11.9321
            34  C8x C    13.5920  -14.0578
            35  C8x C    14.8417  -16.1428
            36  C1x C    13.4167  -19.1620
            37  C1x C    15.5075  -20.3769
            38  N4x N    13.6328  -11.1261
            39  N5x N    15.8987  -11.0853
            40  C8x C    13.6211  -15.4654
            41  C1x C    12.7159  -20.3769
            42  C1x C    14.8126  -21.5858
            43  N5x N    14.0416   -9.7829
            44  N5x N    15.4433   -9.7595
            45  C1x C    13.4167  -21.5858
BOND        50
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    8  13 2
            13   10  14 1
            14   10  15 2
            15   11  16 1
            16   12  17 1
            17   12  18 2
            18   14  19 1
            19   16  20 1
            20   17  21 2
            21   18  22 1
            22   19  23 1
            23   19  24 1
            24   21  25 1
            25   23  26 1
            26   25  27 1
            27   26  28 1
            28   26  29 2
            29   27  30 1
            30   27  31 2
            31   28  32 1
            32   30  33 1
            33   30  34 2
            34   31  35 1
            35   32  36 1
            36   32  37 1
            37   33  38 1
            38   33  39 2
            39   34  40 1
            40   36  41 1
            41   37  42 1
            42   38  43 1
            43   39  44 1
            44   41  45 1
            45    5   7 2
            46    9  13 1
            47   22  25 2
            48   35  40 2
            49   42  45 1
            50   43  44 2

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