KEGG   DRUG: Tebapivat
Entry
D13032                      Drug                                   
Name
Tebapivat (USAN/INN)
Formula
C18H16N8OS
Exact mass
392.1168
Mol weight
392.44
Structure
Efficacy
Anti-anemic, Pyruvate kinase-R activator
Comment
Treatment of hemolytic anemias associated with sickle cell disease; and other hematopoietic disorders, like anemia associated with myelodysplastic syndrome
Target
PKLR [HSA:5313] [KO:K12406]
  Pathway
hsa00010  Glycolysis / Gluconeogenesis
hsa00620  Pyruvate metabolism
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Phosphotransferase
    PKLR
     D13032  Tebapivat (USAN/INN)
Other DBs
CAS: 2283422-04-6
PubChem: 505120121
LinkDB
KCF data

ATOM        28
            1   C8y C    20.0200  -19.6700
            2   C8y C    20.0200  -21.0700
            3   C8y C    18.6900  -21.4900
            4   C8y C    17.8500  -20.3700
            5   N4y N    18.6900  -19.2500
            6   N5x N    21.3500  -19.2500
            7   C8y C    22.1900  -20.3700
            8   S2x S    21.3500  -21.4900
            9   C8x C    18.1300  -22.7500
            10  N5x N    16.7300  -22.9600
            11  N4y N    15.8900  -21.7700
            12  C8y C    16.4500  -20.5100
            13  O5x O    15.6100  -19.3900
            14  C1b C    14.4900  -21.9100
            15  C1a C    18.2700  -17.9200
            16  C1b C    23.5900  -20.3700
            17  C8y C    24.2900  -19.1800
            18  N5x N    23.7300  -17.9200
            19  N4x N    24.7800  -16.9400
            20  C8x C    25.9700  -17.6400
            21  C8x C    25.6900  -19.0400
            22  C8y C    13.9271  -23.1918
            23  N5x N    12.5409  -23.3445
            24  C8y C    11.9779  -24.6263
            25  C8x C    12.8065  -25.7548
            26  C8x C    14.1926  -25.6021
            27  C8x C    14.7556  -24.3203
            28  N1a N    10.5771  -24.7806
BOND        32
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     1   5 1
            6     1   6 1
            7     6   7 2
            8     7   8 1
            9     2   8 1
            10    3   9 1
            11    9  10 2
            12   10  11 1
            13   11  12 1
            14    4  12 1
            15   12  13 2
            16   11  14 1
            17    5  15 1
            18    7  16 1
            19   16  17 1
            20   17  18 2
            21   18  19 1
            22   19  20 1
            23   20  21 2
            24   17  21 1
            25   14  22 1
            26   22  23 2
            27   23  24 1
            28   24  25 2
            29   25  26 1
            30   26  27 2
            31   22  27 1
            32   24  28 1

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