KEGG   DRUG: D03415Help
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
Activity
Treatment of congestive heart failure, left ventricular dysfunction following myocardial infarction, and management of hypertension
Remark
ATC code: 
Drug group: 
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
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
hsa04970  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]
 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)
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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