KEGG   DRUG: D09956Help
Entry
D09956                      Drug                                   

Name
Quizartinib dihydrochloride (USAN)
Formula
C29H32N6O4S. 2HCl
Exact mass
632.1739
Mol weight
633.5891
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of cancer
Target
FLT3 inhibitor [HSA:2322] [KO:K05092]
  Pathway
hsa04060  Cytokine-cytokine receptor interaction
hsa05200  Pathways in cancer  
 
Structure map
Antineoplastics - protein kinases inhibitors
Brite
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class III (PDGF receptor family)
    Fms-related tyrosine kinase 3 [HSA:2322] [KO:K05092]
     Quizartinib
      D09956  Quizartinib dihydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
1132827-21-4
PubChem: 
LigandBox: 
KCF data Show

ATOM        42
            1   C1x C    36.8200  -17.7100
            2   O2x O    36.8200  -19.1100
            3   C1x C    35.6300  -19.8100
            4   C1x C    34.3700  -19.1100
            5   N1y N    34.3700  -17.7100
            6   C1x C    35.6300  -17.0100
            7   C1b C    33.1800  -17.0100
            8   C1b C    31.9900  -17.7100
            9   O2a O    30.8000  -17.0100
            10  C8y C    29.6100  -17.7100
            11  C8x C    29.6100  -19.1100
            12  C8x C    28.3500  -19.8100
            13  C8y C    27.1600  -19.1100
            14  C8y C    27.1600  -17.7100
            15  C8x C    28.3500  -17.0100
            16  N4y N    25.8300  -19.5300
            17  C8y C    24.9900  -18.4100
            18  S2x S    25.8300  -17.2900
            19  C8x C    24.9900  -20.6500
            20  C8y C    23.6600  -20.2300
            21  N5x N    23.6600  -18.8300
            22  C8y C    22.4700  -20.9300
            23  C8x C    22.4700  -22.3300
            24  C8x C    21.2800  -23.0300
            25  C8y C    20.0200  -22.3300
            26  C8x C    20.0200  -20.9300
            27  C8x C    21.2800  -20.2300
            28  N1b N    18.8300  -23.0300
            29  C5a C    17.6400  -22.3300
            30  N1b N    16.4500  -23.0300
            31  O5a O    17.6400  -20.9300
            32  C8y C    15.2600  -22.3300
            33  N5x N    13.8600  -22.3300
            34  O2x O    13.3700  -21.0000
            35  C8y C    14.5600  -20.1600
            36  C8x C    15.6800  -21.0000
            37  C1d C    14.5600  -18.7600
            38  C1a C    14.5600  -17.3600
            39  C1a C    15.9600  -18.7600
            40  C1a C    13.1600  -18.7600
            41  X   Cl   31.2200  -22.1900
            42  X   Cl   31.2200  -23.8000
BOND        45
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   10  15 2
            17   13  16 1
            18   16  17 1
            19   17  18 1
            20   14  18 1
            21   16  19 1
            22   19  20 2
            23   20  21 1
            24   17  21 2
            25   20  22 1
            26   22  23 1
            27   23  24 2
            28   24  25 1
            29   25  26 2
            30   26  27 1
            31   22  27 2
            32   25  28 1
            33   28  29 1
            34   29  30 1
            35   29  31 2
            36   30  32 1
            37   32  33 2
            38   33  34 1
            39   34  35 1
            40   35  36 2
            41   32  36 1
            42   35  37 1
            43   37  38 1
            44   37  39 1
            45   37  40 1

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