KEGG   DRUG: Quizartinib dihydrochlorideHelp
Entry
D09956                      Drug                                   

Name
Quizartinib dihydrochloride (USAN)
Formula
C29H32N6O4S. 2HCl
Exact mass
632.1739
Mol weight
633.5891
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Remark
Chemical group: 
Activity
Antineoplastic, Tyrosine kinase inhibitor
Target
FLT3 (CD135) [HSA:2322] [KO:K05092]
  Pathway
Cytokine-cytokine receptor interaction
Pathways in cancer
Interaction
Drug interaction
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
     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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