KEGG   DRUG: Carvedilol phosphate hydrateHelp
Entry
D03415                      Drug                                   

Name
Carvedilol phosphate hydrate (JAN);
Carvedilol phosphate (USAN);
Coreg CR (TN)
Product
Formula
(C24H26N2O4)2. 2H3PO4. H2O
Exact mass
1026.3429
Mol weight
1026.9541
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01464  beta-Adrenergic receptor antagonist
   DG01461  beta1-Adrenergic receptor antagonist
   DG01462  beta2-Adrenergic receptor antagonist
   DG01463  beta3-Adrenergic receptor antagonist
  DG01465  alpha-Adrenergic receptor antagonist
   DG01457  alpha1-Adrenergic receptor antagonist
Cyp substrate
 DG01892  CYP1A2 substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A4 substrate
Remark
ATC code: 
Chemical group: 
Activity
Treatment of congestive heart failure, left ventricular dysfunction following myocardial infarction, and management of hypertension
Comment
Indication: Chronic heart failure
Target
alpha1-adrenergic receptor antagonist [HSA:146 147 148] [KO:K04137 K04136 K04135];
beta1-adrenergic receptor antagonist [HSA:153] [KO:K04141];
beta2-adrenergic receptor antagonist [HSA:154] [KO:K04142];
beta3-adrenergic receptor antagonist [HSA:155] [KO:K04143]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
Vascular smooth muscle contraction
Salivary secretion
Metabolism
Enzyme: CYP2D6 [HSA:1565], CYP2C9 [HSA:1559], CYP3A4 [HSA:1576], CYP1A2 [HSA:1544], CYP2E1 [HSA:1571]
Interaction
Genomic biomarker: CYP2D6 [HSA:1565]
Transporter inhibition: ABCB1 [HSA:5243]
Drug interaction
Structure map
alpha-Adrenergic receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C07 BETA BLOCKING AGENTS
   C07A BETA BLOCKING AGENTS
    C07AG Alpha and beta blocking agents
     C07AG02 Carvedilol
      D03415  Carvedilol phosphate hydrate (JAN); Carvedilol phosphate (USAN)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Beta-adrenergic Blocking Agents
   Carvedilol
    D03415  Carvedilol phosphate hydrate (JAN); Carvedilol phosphate (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor
     Carvedilol
      D03415  Carvedilol phosphate hydrate (JAN); Carvedilol phosphate (USAN)
    beta1-adrenergic receptor
     Carvedilol
      D03415  Carvedilol phosphate hydrate (JAN); Carvedilol phosphate (USAN)
    beta2-adrenergic receptor
     Carvedilol
      D03415  Carvedilol phosphate hydrate (JAN); Carvedilol phosphate (USAN)
    beta3-adrenergic receptor
     Carvedilol
      D03415  Carvedilol phosphate hydrate (JAN); Carvedilol phosphate (USAN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP1A2
   Carvedilol
    D03415  Carvedilol phosphate hydrate (JAN); Carvedilol phosphate (USAN)
  CYP2C9
   Carvedilol
    D03415  Carvedilol phosphate hydrate (JAN); Carvedilol phosphate (USAN)
  CYP2D6
   Carvedilol
    D03415  Carvedilol phosphate hydrate (JAN); Carvedilol phosphate (USAN)
  CYP3A4
   Carvedilol
    D03415  Carvedilol phosphate hydrate (JAN); Carvedilol phosphate (USAN)
 Transporter inhibitors
  ABCB1
   Carvedilol
    D03415  Carvedilol phosphate hydrate (JAN); Carvedilol phosphate (USAN)
Cardiovascular agents [br08364.html]
 Antihypertensives
  D03415
Pharmacogenomic biomarkers in FDA drug labels [br08341.html]
 Polymorphisms and germline mutations
  D03415
BRITE hierarchy
Other DBs
CAS: 
610309-89-2
PubChem: 
DrugBank: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        71
            1   P1b P    25.2157   -4.9627
            2   O1c O    25.2085   -3.5620
            3   O1c O    26.6165   -4.9627
            4   O1c O    23.8149   -4.9556
            5   O1c O    25.2085   -6.3635
            6   O0  O    25.8276   -8.5395
            7   C8y C     7.0000   -6.2300
            8   C8y C     5.6700   -5.7400
            9   C8y C     7.0000   -7.6300
            10  C8y C     8.2600   -5.5300
            11  C8y C     4.8300   -6.8600
            12  C8x C     5.1800   -4.4100
            13  N4x N     5.6700   -8.0500
            14  C8x C     8.1900   -8.3300
            15  C8x C     9.4500   -6.2300
            16  O2a O     8.2600   -4.1300
            17  C8x C     3.4300   -6.6500
            18  C8x C     3.7800   -4.2700
            19  C8x C     9.4500   -7.6300
            20  C1b C     9.5200   -3.4300
            21  C8x C     2.9400   -5.3900
            22  C1c C    10.7100   -4.2000
            23  C1b C    11.9700   -3.5000
            24  O1a O    10.7100   -5.6000
            25  N1b N    13.0900   -4.2700
            26  C1b C    14.3500   -3.5700
            27  C1b C    15.5400   -4.2700
            28  O2a O    16.7300   -3.6400
            29  C8y C    17.9900   -4.3400
            30  C8y C    17.9900   -5.7400
            31  C8x C    19.1800   -3.7100
            32  C8x C    19.1100   -6.5100
            33  O2a O    16.7300   -6.3700
            34  C8x C    20.3700   -4.4100
            35  C8x C    20.3700   -5.8100
            36  C1a C    15.4700   -5.6700
            37  P1b P    25.2157   -4.9627
            38  O1c O    25.2085   -3.5620
            39  O1c O    26.6165   -4.9627
            40  O1c O    23.8149   -4.9556
            41  O1c O    25.2085   -6.3635
            42  C8y C     7.0000   -6.2300
            43  C8y C     5.6700   -5.7400
            44  C8y C     4.8300   -6.8600
            45  C8x C     3.4300   -6.6500
            46  C8x C     2.9400   -5.3900
            47  C8x C     3.7800   -4.2700
            48  C8x C     5.1800   -4.4100
            49  N4x N     5.6700   -8.0500
            50  C8y C     7.0000   -7.6300
            51  C8x C     8.1900   -8.3300
            52  C8x C     9.4500   -7.6300
            53  C8x C     9.4500   -6.2300
            54  C8y C     8.2600   -5.5300
            55  O2a O     8.2600   -4.1300
            56  C1b C     9.5200   -3.4300
            57  C1c C    10.7100   -4.2000
            58  C1b C    11.9700   -3.5000
            59  N1b N    13.0900   -4.2700
            60  C1b C    14.3500   -3.5700
            61  C1b C    15.5400   -4.2700
            62  O2a O    16.7300   -3.6400
            63  C8y C    17.9900   -4.3400
            64  C8y C    17.9900   -5.7400
            65  C8x C    19.1100   -6.5100
            66  C8x C    20.3700   -5.8100
            67  C8x C    20.3700   -4.4100
            68  C8x C    19.1800   -3.7100
            69  O2a O    16.7300   -6.3700
            70  C1a C    15.4700   -5.6700
            71  O1a O    10.7100   -5.6000
BOND        74
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5    37  38 2
            6    37  39 1
            7    37  40 1
            8    37  41 1
            9     7   8 1
            10    7   9 2
            11    7  10 1
            12    8  11 2
            13    8  12 1
            14    9  13 1
            15    9  14 1
            16   10  15 2
            17   10  16 1
            18   11  17 1
            19   12  18 2
            20   14  19 2
            21   16  20 1
            22   17  21 2
            23   20  22 1
            24   22  23 1
            25   22  24 1
            26   23  25 1
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   29  30 2
            32   29  31 1
            33   30  32 1
            34   30  33 1
            35   31  34 2
            36   32  35 2
            37   33  36 1
            38   11  13 1
            39   15  19 1
            40   18  21 1
            41   34  35 1
            42   42  43 1
            43   42  50 2
            44   42  54 1
            45   43  44 2
            46   43  48 1
            47   50  49 1
            48   50  51 1
            49   54  53 2
            50   54  55 1
            51   44  45 1
            52   48  47 2
            53   51  52 2
            54   55  56 1
            55   45  46 2
            56   56  57 1
            57   57  58 1
            58   57  71 1
            59   58  59 1
            60   59  60 1
            61   60  61 1
            62   61  62 1
            63   62  63 1
            64   63  64 2
            65   63  68 1
            66   64  65 1
            67   64  69 1
            68   68  67 2
            69   65  66 2
            70   69  70 1
            71   44  49 1
            72   53  52 1
            73   47  46 1
            74   67  66 1
BRACKET     1    22.5400   -6.9300   22.5400   -2.8700
            1    27.7200   -2.8700   27.7200   -6.9300
            1  2
 ORIGINAL  1    1   2   3   4   5
 REPEAT    1   37  38  39  40  41
            2     2.8700   -9.2400    2.8700   -2.7300
            2    20.8600   -2.7300   20.8600   -9.2400
            2  2
 ORIGINAL  2    7   8  11  17  21  18  12  13   9  14  19  15  10  16  20  22
            2   23  25  26  27  28  29  30  32  35  34  31  33  36  24
 REPEAT    2   42  43  44  45  46  47  48  49  50  51  52  53  54  55  56  57
            2   58  59  60  61  62  63  64  65  66  67  68  69  70  71

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