KEGG   DRUG: Quizartinib
Entry
D09955                      Drug                                   
Name
Quizartinib (USAN/INN)
Formula
C29H32N6O4S
Exact mass
560.2206
Mol weight
560.6672
Structure
Simcomp
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Remark
ATC code: L01EX11
Chemical structure group: DG01364
Product (DG01364): D09956<JP/US>
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
Target
FLT3 (CD135) [HSA:2322] [KO:K05092]
  Pathway
hsa04640  Hematopoietic cell lineage
hsa05200  Pathways in cancer
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Structure map
map07045  Antineoplastics - protein kinase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EX Other protein kinase inhibitors
     L01EX11 Quizartinib
      D09955  Quizartinib (USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG01364  Quizartinib
     D09955  Quizartinib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG01364  Quizartinib
    D09955  Quizartinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   PDGFR family
    FLT3 (CD135)
     D09955  Quizartinib (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D09955
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG01364  Quizartinib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG01364  Quizartinib
Other DBs
CAS: 950769-58-1
PubChem: 135626680
ChEBI: 90217
PDB-CCD: P30[PDBj]
LigandBox: D09955
KCF data

ATOM        40
            1   C1x C    36.8374  -17.7901
            2   O2x O    36.8374  -19.1909
            3   C1x C    35.6467  -19.8912
            4   C1x C    34.3861  -19.1909
            5   N1y N    34.3861  -17.7901
            6   C1x C    35.6467  -17.0898
            7   C1b C    33.1954  -17.0898
            8   C1b C    32.0048  -17.7901
            9   O2a O    30.8142  -17.0898
            10  C8y C    29.6235  -17.7901
            11  C8x C    29.6235  -19.1909
            12  C8x C    28.3628  -19.8912
            13  C8y C    27.1722  -19.1909
            14  C8y C    27.1722  -17.7901
            15  C8x C    28.3628  -17.0898
            16  N4y N    25.8415  -19.6111
            17  C8y C    25.0011  -18.4905
            18  S2x S    25.8415  -17.3699
            19  C8x C    25.0011  -20.7317
            20  C8y C    23.6704  -20.3115
            21  N5x N    23.6704  -18.9107
            22  C8y C    22.4797  -21.0118
            23  C8x C    22.4797  -22.4126
            24  C8x C    21.2891  -23.1130
            25  C8y C    20.0284  -22.4126
            26  C8x C    20.0284  -21.0118
            27  C8x C    21.2891  -20.3115
            28  N1b N    18.8378  -23.1130
            29  C5a C    17.6472  -22.4126
            30  N1b N    16.4565  -23.1130
            31  O5a O    17.6472  -21.0118
            32  C8y C    15.2659  -22.4126
            33  N5x N    13.8651  -22.4126
            34  O2x O    13.3749  -21.0819
            35  C8y C    14.5655  -20.2414
            36  C8x C    15.6861  -21.0819
            37  C1d C    14.5655  -18.8407
            38  C1a C    14.5655  -17.4399
            39  C1a C    15.9655  -18.8407
            40  C1a C    13.1655  -18.8407
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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