KEGG   DRUG: Totrombopag cholineHelp
Entry
D09024                      Drug                                   

Name
Totrombopag choline (USAN)
Formula
C25H21N8O2. C5H14NO
Exact mass
569.2863
Mol weight
569.6574
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antithrombocytopenia, Thrombopoetin receptor agonist
Comment
Treatment of chemotherapy-induced thrombocytopenia, treatment of thrombocytopenia associated liver disease, and idiopathic thrombocytopenic purpura
Target
MPL (TPOR, CD110) [HSA:4352] [KO:K05082]
  Pathway
Cytokine-cytokine receptor interaction
Jak-STAT signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Class I cytokine receptors (hematopoietin family receptors)
   thrombopoietin receptor
    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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