KEGG   DRUG: Sacubitril valsartan sodium hydrate
Entry
D10226            Mixture   Drug                                   
Name
Sacubitril valsartan sodium hydrate (JAN);
Sacubitril mixture with valsartan;
Entresto (TN)
Product
ENTRESTO (Aphena Pharma Solutions - Tennessee), ENTRESTO (Aphena Pharma Solutions - Tennessee), ENTRESTO (Aphena Pharma Solutions - Tennessee), ENTRESTO (Novartis Pharmaceuticals Corporation)
Formula
(C24H27N5O3. 2Na)2. (C24H28NO5. Na)2. 5H2O
Exact mass
1914.8077
Mol weight
1915.9864
Structure
Class
Cardiovascular agent
 DG01925  Renin-angiotensin system inhibitor
 DG03231  Antihypertensive
Remark
Therapeutic category: 2149 2190
ATC code: C09DX04
Product: D10226<JP/US>
Efficacy
Antihypertensive
Comment
Treatment of cardiovascular disease (chronic heart failure, symptomatic heart failure)
Target
MME (CD10) [HSA:4311] [KO:K01389]
AGTR1 [HSA:185] [KO:K04166]
  Pathway
hsa04614  Renin-angiotensin system
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C09 AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM
   C09D ANGIOTENSIN II RECEPTOR BLOCKERS (ARBs), COMBINATIONS
    C09DX Angiotensin II receptor blockers (ARBs), other combinations
     C09DX04 Valsartan and sacubitril
      D10226  Sacubitril valsartan sodium hydrate (JAN) <JP/US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Cardiovascular Agents, Combinations
   Sacubitril/ Valsartan
    D10226  Sacubitril valsartan sodium hydrate (JAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   214  Antihypertensives
    2149  Others
     D10226  Sacubitril valsartan sodium hydrate (JAN)
   219  Miscellaneous
    2190  Miscellaneous
     D10226  Sacubitril valsartan sodium hydrate (JAN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01925  Renin-angiotensin system inhibitor
   D10226  Sacubitril valsartan sodium hydrate
  DG03231  Antihypertensive
   D10226  Sacubitril valsartan sodium hydrate
Drug classes [BR:br08332]
 Cardiovascular agent
  DG03231  Antihypertensive
   D10226  Sacubitril valsartan sodium hydrate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Angiotensin
    AGTR1
     D10226  Sacubitril valsartan sodium hydrate (JAN) <JP/US>
 Enzymes
  Hydrolases (EC3)
   Metallo peptidases
    MME (CD10)
     D10226  Sacubitril valsartan sodium hydrate (JAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10226
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10226
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10226
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10226
Other DBs
CAS: 936623-90-4
PubChem: 163312257
LinkDB
KCF data

ATOM        135
            1   C1a C     4.8300  -19.6700
            2   C1b C     6.0900  -20.3700
            3   O7a O     7.2800  -19.6700
            4   C7a C     8.4700  -20.3700
            5   C1c C     9.6600  -19.6700
            6   O6a O     8.4700  -21.8400
            7   C1b C    10.8500  -20.3700
            8   C1c C    12.0400  -19.6700
            9   N1b N    13.3000  -20.3700
            10  C5a C    14.4900  -19.6700
            11  C1b C    15.6800  -20.3700
            12  O5a O    14.4900  -18.2700
            13  C1b C    16.8700  -19.6700
            14  C6a C    18.0600  -20.3700
            15  O6a O    19.2500  -19.6700 #-
            16  O6a O    18.0600  -21.8400
            17  C1a C     8.9600  -18.4800
            18  C1b C    12.8100  -18.4800
            19  C8y C    12.3900  -17.0800
            20  C8x C    13.1600  -15.8900
            21  C8x C    12.4600  -14.6300
            22  C8y C    11.1300  -14.6300
            23  C8x C    10.3600  -15.8200
            24  C8x C    11.0600  -17.0800
            25  C8y C    10.5000  -13.3700
            26  C8x C    11.2000  -12.1800
            27  C8x C    10.5700  -10.8500
            28  C8x C     9.1700  -10.8500
            29  C8x C     8.4700  -12.0400
            30  C8x C     9.0300  -13.3700
            31  C8x C    24.7800  -19.9500
            32  C8x C    24.7800  -21.3500
            33  C8x C    26.0400  -22.1200
            34  C8x C    27.3000  -21.3500
            35  C8y C    27.3000  -19.9500
            36  C8y C    26.0400  -19.2500
            37  C8y C    28.4900  -19.2500
            38  C8x C    29.6800  -19.9500
            39  C8x C    30.9400  -19.2500
            40  C8y C    30.9400  -17.8500
            41  C8x C    29.7500  -17.1500
            42  C8x C    28.4900  -17.8500
            43  C8y C    26.0400  -17.8500
            44  N4x N    27.1600  -17.0100 #-
            45  N5x N    26.7400  -15.7500
            46  N5x N    25.3400  -15.7500
            47  N5x N    24.8500  -17.0100
            48  C1b C    32.1300  -17.1500
            49  N1c N    32.1300  -15.7500
            50  C1c C    33.3200  -15.0500
            51  C5a C    30.9400  -15.0500
            52  O5a O    29.7500  -15.7500
            53  C1b C    30.9400  -13.6500
            54  C1b C    29.7500  -12.9500
            55  C1b C    29.7500  -11.5500
            56  C1a C    28.5600  -10.8500
            57  C6a C    34.5100  -15.7500
            58  O6a O    35.7000  -15.0500
            59  O6a O    34.5100  -17.1500 #-
            60  C1c C    33.3200  -13.6500
            61  C1a C    32.1300  -12.9500
            62  C1a C    34.5100  -12.9500
            63  Z   Na   27.7200  -14.4900 #+
            64  Z   Na   33.8800  -18.8300 #+
            65  O0  O    40.5300  -18.0600
            66  Z   Na   18.5500  -18.2000 #+
            67  C1a C     4.8300  -19.6700
            68  C1b C     6.0900  -20.3700
            69  O7a O     7.2800  -19.6700
            70  C7a C     8.4700  -20.3700
            71  C1c C     9.6600  -19.6700
            72  C1b C    10.8500  -20.3700
            73  C1c C    12.0400  -19.6700
            74  N1b N    13.3000  -20.3700
            75  C5a C    14.4900  -19.6700
            76  C1b C    15.6800  -20.3700
            77  C1b C    16.8700  -19.6700
            78  C6a C    18.0600  -20.3700
            79  O6a O    19.2500  -19.6700 #-
            80  O6a O    18.0600  -21.8400
            81  O5a O    14.4900  -18.2700
            82  C1b C    12.8100  -18.4800
            83  C8y C    12.3900  -17.0800
            84  C8x C    13.1600  -15.8900
            85  C8x C    12.4600  -14.6300
            86  C8y C    11.1300  -14.6300
            87  C8x C    10.3600  -15.8200
            88  C8x C    11.0600  -17.0800
            89  C8y C    10.5000  -13.3700
            90  C8x C    11.2000  -12.1800
            91  C8x C    10.5700  -10.8500
            92  C8x C     9.1700  -10.8500
            93  C8x C     8.4700  -12.0400
            94  C8x C     9.0300  -13.3700
            95  C1a C     8.9600  -18.4800
            96  O6a O     8.4700  -21.8400
            97  Z   Na   18.5500  -18.2000 #+
            98  C8x C    24.7800  -19.9500
            99  C8x C    24.7800  -21.3500
            100 C8x C    26.0400  -22.1200
            101 C8x C    27.3000  -21.3500
            102 C8y C    27.3000  -19.9500
            103 C8y C    26.0400  -19.2500
            104 C8y C    26.0400  -17.8500
            105 N4x N    27.1600  -17.0100 #-
            106 N5x N    26.7400  -15.7500
            107 N5x N    25.3400  -15.7500
            108 N5x N    24.8500  -17.0100
            109 C8y C    28.4900  -19.2500
            110 C8x C    29.6800  -19.9500
            111 C8x C    30.9400  -19.2500
            112 C8y C    30.9400  -17.8500
            113 C8x C    29.7500  -17.1500
            114 C8x C    28.4900  -17.8500
            115 C1b C    32.1300  -17.1500
            116 N1c N    32.1300  -15.7500
            117 C1c C    33.3200  -15.0500
            118 C6a C    34.5100  -15.7500
            119 O6a O    35.7000  -15.0500
            120 O6a O    34.5100  -17.1500 #-
            121 C1c C    33.3200  -13.6500
            122 C1a C    32.1300  -12.9500
            123 C1a C    34.5100  -12.9500
            124 C5a C    30.9400  -15.0500
            125 O5a O    29.7500  -15.7500
            126 C1b C    30.9400  -13.6500
            127 C1b C    29.7500  -12.9500
            128 C1b C    29.7500  -11.5500
            129 C1a C    28.5600  -10.8500
            130 Z   Na   27.7200  -14.4900 #+
            131 Z   Na   33.8800  -18.8300 #+
            132 O0  O    40.5300  -18.0600
            133 O0  O    40.5300  -18.0600
            134 O0  O    40.5300  -18.0600
            135 O0  O    40.5300  -18.0600
BOND        130
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     4   6 2
            6     5   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   10  12 2
            12   11  13 1
            13   13  14 1
            14   14  15 1
            15   14  16 2
            16    5  17 1 #Down
            17    8  18 1 #Up
            18   18  19 1
            19   19  20 2
            20   20  21 1
            21   21  22 2
            22   22  23 1
            23   23  24 2
            24   19  24 1
            25   22  25 1
            26   25  26 2
            27   26  27 1
            28   27  28 2
            29   28  29 1
            30   29  30 2
            31   25  30 1
            32   67  68 1
            33   68  69 1
            34   69  70 1
            35   70  71 1
            36   70  96 2
            37   71  72 1
            38   72  73 1
            39   73  74 1
            40   74  75 1
            41   75  76 1
            42   75  81 2
            43   76  77 1
            44   77  78 1
            45   78  79 1
            46   78  80 2
            47   71  95 1 #Down
            48   73  82 1 #Up
            49   82  83 1
            50   83  84 2
            51   84  85 1
            52   85  86 2
            53   86  87 1
            54   87  88 2
            55   83  88 1
            56   86  89 1
            57   89  90 2
            58   90  91 1
            59   91  92 2
            60   92  93 1
            61   93  94 2
            62   89  94 1
            63   31  32 2
            64   32  33 1
            65   33  34 2
            66   34  35 1
            67   35  36 2
            68   31  36 1
            69   35  37 1
            70   37  38 2
            71   38  39 1
            72   39  40 2
            73   40  41 1
            74   41  42 2
            75   37  42 1
            76   36  43 1
            77   43  44 1
            78   44  45 1
            79   45  46 2
            80   46  47 1
            81   43  47 2
            82   40  48 1
            83   48  49 1
            84   49  50 1
            85   49  51 1
            86   51  52 2
            87   51  53 1
            88   53  54 1
            89   54  55 1
            90   55  56 1
            91   50  57 1
            92   57  58 2
            93   57  59 1
            94   50  60 1 #Up
            95   60  61 1
            96   60  62 1
            97   98  99 2
            98   99 100 1
            99  100 101 2
            100 101 102 1
            101 102 103 2
            102  98 103 1
            103 102 109 1
            104 109 110 2
            105 110 111 1
            106 111 112 2
            107 112 113 1
            108 113 114 2
            109 109 114 1
            110 103 104 1
            111 104 105 1
            112 105 106 1
            113 106 107 2
            114 107 108 1
            115 104 108 2
            116 112 115 1
            117 115 116 1
            118 116 117 1
            119 116 124 1
            120 124 125 2
            121 124 126 1
            122 126 127 1
            123 127 128 1
            124 128 129 1
            125 117 118 1
            126 118 119 2
            127 118 120 1
            128 117 121 1 #Up
            129 121 122 1
            130 121 123 1
BRACKET     1     2.1700  -23.4500    2.1700   -9.2400
            1    20.9300   -9.2400   20.9300  -23.4500
            1  2
 ORIGINAL  1    1   2   3   4   5   7   8   9  10  11  13  14  15  16  12  19
            1   20  21  22  23  24  25  26  27  28  29  30  31  32  17  18   6
            1   68
 REPEAT    1   69  70  71  72  73  74  75  76  77  78  79  80  81  82  83  84
            1   85  86  87  88  89  90  91  92  93  94  95  96  97  98  99 100
            1  101
            2    23.7300  -23.5900   23.7300   -9.1700
            2    36.5400   -9.1700   36.5400  -23.5900
            2  2
 ORIGINAL  2   33  34  35  36  37  38  45  46  47  48  49  39  40  41  42  43
            2   44  50  51  52  59  60  61  62  63  64  53  54  55  56  57  58
            2   65  66
 REPEAT    2  102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117
            2  118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133
            2  134 135
            3    38.5000  -18.9700   38.5000  -16.9400
            3    41.1600  -16.9400   41.1600  -18.9700
            3  5
 ORIGINAL  3   67
 REPEAT    3  136 137 138 139

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