KEGG   DRUG: D09024Help
Entry
D09024                      Drug                                   

Name
Totrombopag choline (USAN)
Formula
C25H21N8O2. C5H14NO
Exact mass
569.2863
Mol weight
569.6574
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of chemotherapy-induced thrombocytopenia, treatment of thrombocytopenia associated liver disease, and idiopathic thrombocytopenic purpura
Target
thrombopoietin receptor agonist [HSA:4352] [KO:K05082]
  Pathway
hsa04060  Cytokine-cytokine receptor interaction
hsa04630  Jak-STAT signaling pathway  
 
Brite
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Class I cytokine receptors (hematopoietin family receptors)
   thrombopoietin receptor [HSA:4352] [KO:K05082]
    Totrombopag
     D09024  Totrombopag choline (USAN)
BRITE hierarchy
Other DBs
CAS: 
851606-62-7
PubChem: 
LigandBox: 
KCF data Show

ATOM        42
            1   N2x N    17.4300  -16.3800
            2   C2y C    18.8300  -16.3800
            3   C1y C    19.2500  -15.0500
            4   C5x C    18.1300  -14.2100
            5   N1y N    17.0100  -15.0500
            6   C8y C    15.7500  -14.3500
            7   C8x C    14.5600  -15.0500
            8   N2b N    21.7000  -15.0500
            9   N2b N    20.5100  -14.3500
            10  C8x C    15.7500  -12.9500
            11  C8x C    14.5600  -12.2500
            12  C8y C    13.3700  -12.9500
            13  C8y C    13.3700  -14.3500
            14  C8y C    22.8900  -14.3500
            15  C1a C    12.1800  -15.0500
            16  C1a C    12.1800  -12.2500
            17  C8y C    24.0800  -15.0500
            18  C8y C    25.3400  -14.3500
            19  C8x C    25.3400  -12.9500
            20  C8x C    24.0800  -12.2500
            21  C8x C    22.8900  -12.9500
            22  O1a O    24.0800  -16.4500
            23  C8y C    26.5300  -15.0500
            24  C8x C    26.5300  -16.4500
            25  C8x C    27.7900  -17.1500
            26  C8x C    28.9800  -16.4500
            27  C8y C    28.9800  -15.0500
            28  C8x C    27.7900  -14.3500
            29  C8y C    30.1700  -14.3500
            30  N4x N    31.4535  -14.9090 #-
            31  N5x N    32.3819  -13.8610
            32  N5x N    31.6720  -12.6543
            33  N5x N    30.3050  -12.9565
            34  O5x O    18.1300  -12.8100
            35  C1a C    19.6576  -17.5092
            36  N1d N    35.7000  -15.7500 #+
            37  C1b C    36.9124  -16.4500
            38  C1b C    38.1249  -15.7500
            39  O1a O    39.3373  -16.4500
            40  C1a C    35.7000  -14.3500
            41  C1a C    35.7000  -17.1500
            42  C1a C    34.4876  -16.4500
BOND        45
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     5   6 1
            7     6   7 1
            8     8   9 2
            9     3   9 1
            10    6  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    7  13 2
            15    8  14 1
            16   13  15 1
            17   12  16 1
            18   14  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   14  21 1
            24   17  22 1
            25   18  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   23  28 1
            32   27  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 2
            36   32  33 1
            37   29  33 2
            38    4  34 2
            39    2  35 1
            40   36  37 1
            41   37  38 1
            42   38  39 1
            43   36  40 1
            44   36  41 1
            45   36  42 1

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