KEGG   DRUG: Mitapivat sulfate
Entry
D11408                      Drug                                   
Name
Mitapivat sulfate (USAN);
Pyrukynd (TN)
Product
PYRUKYND (Agios Pharmaceuticals)
Formula
(C24H26N4O3S)2. H2SO4. 3H2O
Exact mass
1052.3442
Mol weight
1053.2308
Structure
Remark
ATC code: B06AX04
Product: D11408<US>
Efficacy
Anti-anemic, Pyruvate kinase-R activator
  Disease
Hemolytic anemia with pyruvate kinase deficiency [DS:H01096]
Comment
Treatment of pyruvate kinase deficiency
Target
PKLR [HSA:5313] [KO:K12406]
  Pathway
hsa00010  Glycolysis / Gluconeogenesis
hsa00620  Pyruvate metabolism
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B06 OTHER HEMATOLOGICAL AGENTS
   B06A OTHER HEMATOLOGICAL AGENTS
    B06AX Other hematological agents
     B06AX04 Mitapivat
      D11408  Mitapivat sulfate (USAN) <US>
USP drug classification [BR:br08302]
 Genetic, Enzyme, or Protein Disorder: Replacement, Modifiers, Treatment
  Mitapivat
   D11408  Mitapivat sulfate (USAN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Phosphotransferase
    PKLR
     D11408  Mitapivat sulfate (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11408
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11408
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11408
Other DBs
CAS: 2151847-10-6
PubChem: 384585386
LinkDB
KCF data

ATOM        72
            1   C1x C     9.5200  -16.3800
            2   N1y N     9.5200  -17.7800
            3   C1x C    10.7100  -18.4800
            4   C1x C    11.9700  -17.7800
            5   N1y N    11.9700  -16.3800
            6   C1x C    10.7100  -15.6800
            7   C5a C    13.1600  -15.6800
            8   C8y C    14.3500  -16.3800
            9   C8x C    14.3500  -17.7800
            10  C8x C    15.6100  -18.4800
            11  C8y C    16.8000  -17.7800
            12  C8x C    16.8000  -16.3800
            13  C8x C    15.6100  -15.6800
            14  N1b N    17.9900  -18.4800
            15  S4a S    19.1800  -17.7800
            16  C8y C    20.3700  -18.4800
            17  C8x C    20.3700  -19.8800
            18  C8x C    21.6300  -20.5800
            19  C8x C    22.8200  -19.8800
            20  C8y C    22.8200  -18.4800
            21  C8y C    21.6300  -17.7800
            22  C8x C    24.0100  -17.7800
            23  C8x C    24.0100  -16.3800
            24  C8x C    22.8200  -15.6800
            25  N5x N    21.6300  -16.3800
            26  C1b C     8.3300  -18.4800
            27  C1y C     7.1400  -17.7800
            28  C1x C     5.7400  -17.7800
            29  C1x C     6.4400  -16.5900
            30  O5a O    13.1600  -14.2800
            31  O1d O    19.8800  -16.5676
            32  O1d O    18.4800  -16.5676
            33  S4a S    29.3300  -15.1900
            34  O1d O    29.3300  -13.7900
            35  O1d O    29.3300  -16.5900
            36  O1d O    27.9300  -15.1900
            37  O1d O    30.7300  -15.1900
            38  O0  O    30.3800  -19.3200
            39  C1x C     9.5200  -16.3800
            40  N1y N     9.5200  -17.7800
            41  C1x C    10.7100  -18.4800
            42  C1x C    11.9700  -17.7800
            43  N1y N    11.9700  -16.3800
            44  C1x C    10.7100  -15.6800
            45  C5a C    13.1600  -15.6800
            46  C8y C    14.3500  -16.3800
            47  C8x C    14.3500  -17.7800
            48  C8x C    15.6100  -18.4800
            49  C8y C    16.8000  -17.7800
            50  C8x C    16.8000  -16.3800
            51  C8x C    15.6100  -15.6800
            52  N1b N    17.9900  -18.4800
            53  S4a S    19.1800  -17.7800
            54  C8y C    20.3700  -18.4800
            55  C8x C    20.3700  -19.8800
            56  C8x C    21.6300  -20.5800
            57  C8x C    22.8200  -19.8800
            58  C8y C    22.8200  -18.4800
            59  C8y C    21.6300  -17.7800
            60  N5x N    21.6300  -16.3800
            61  C8x C    22.8200  -15.6800
            62  C8x C    24.0100  -16.3800
            63  C8x C    24.0100  -17.7800
            64  O1d O    19.8800  -16.5676
            65  O1d O    18.4800  -16.5676
            66  O5a O    13.1600  -14.2800
            67  C1b C     8.3300  -18.4800
            68  C1y C     7.1400  -17.7800
            69  C1x C     5.7400  -17.7800
            70  C1x C     6.4400  -16.5900
            71  O0  O    30.3800  -19.3200
            72  O0  O    30.3800  -19.3200
BOND        76
            1    33  34 2
            2    33  35 2
            3    33  36 1
            4    33  37 1
            5     1   2 1
            6     2   3 1
            7     3   4 1
            8     4   5 1
            9     5   6 1
            10    1   6 1
            11    5   7 1
            12    7   8 1
            13    8   9 2
            14    9  10 1
            15   10  11 2
            16   11  12 1
            17   12  13 2
            18    8  13 1
            19   11  14 1
            20   14  15 1
            21   15  16 1
            22   16  17 2
            23   17  18 1
            24   18  19 2
            25   19  20 1
            26   20  21 2
            27   16  21 1
            28   20  22 1
            29   22  23 2
            30   23  24 1
            31   24  25 2
            32   21  25 1
            33    2  26 1
            34   26  27 1
            35   28  27 1
            36   27  29 1
            37   29  28 1
            38    7  30 2
            39   15  31 2
            40   15  32 2
            41   39  40 1
            42   40  41 1
            43   41  42 1
            44   42  43 1
            45   43  44 1
            46   39  44 1
            47   43  45 1
            48   45  46 1
            49   46  47 2
            50   47  48 1
            51   48  49 2
            52   49  50 1
            53   50  51 2
            54   46  51 1
            55   49  52 1
            56   52  53 1
            57   53  54 1
            58   54  55 2
            59   55  56 1
            60   56  57 2
            61   57  58 1
            62   58  59 2
            63   54  59 1
            64   58  63 1
            65   63  62 2
            66   62  61 1
            67   61  60 2
            68   59  60 1
            69   40  67 1
            70   67  68 1
            71   69  68 1
            72   68  70 1
            73   70  69 1
            74   45  66 2
            75   53  64 2
            76   53  65 2
BRACKET     1     4.9000  -21.0000    4.9000  -12.9500
            1    24.5000  -12.9500   24.5000  -21.0000
            1  2
 ORIGINAL  1    1   2   3   4   5   6   7   8   9  10  11  12  13  14  15  16
            1   17  18  19  20  21  25  24  23  22  31  32  30  26  27  28  29
 REPEAT    1   39  40  41  42  43  44  45  46  47  48  49  50  51  52  53  54
            1   55  56  57  58  59  60  61  62  63  64  65  66  67  68  69  70
            2    28.0000  -20.1600   28.0000  -18.1300
            2    31.0800  -18.1300   31.0800  -20.1600
            2  3
 ORIGINAL  2   38
 REPEAT    2   71  72

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