KEGG   DRUG: Crizotinib
Entry
D09731                      Drug                                   
Name
Crizotinib (JAN/USAN/INN);
Xalkori (TN)
Product
Formula
C21H22Cl2FN5O
Exact mass
449.1185
Mol weight
450.3367
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG03136  ALK inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02925  CYP3A5 substrate
Metabolizing enzyme inhibitor
 DG02892  CYP2B6 inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
Transporter inhibitor
 DG01622  ABCB1 inhibitor
 DG02908  SLC22A1 inhibitor
 DG02863  SLC22A2 inhibitor
Remark
Therapeutic category: 4291
ATC code: L01ED01
Product: D09731<JP/US>
Efficacy
Antineoplastic, Tyrosine kinase inhibitor
  Disease
Non-small cell lung cancer (ALK or ROS1-positive) [DS:H00014]
Anaplastic large cell lymphoma (ALK-positive) [DS:H01601]
Target
EML4-ALK [HSA_VAR:238v1] [HSA:238] [KO:K05119]
ROS1* [HSA_VAR:6098v1] [HSA:6098] [KO:K05088]
  Network
N10003  First-generation tyrosine kinase inhibitor to ALK fusion
  Pathway
hsa05200  Pathways in cancer
hsa05223  Non-small cell lung cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577]
Interaction
CYP inhibition: CYP2B6 [HSA:1555], CYP3A [HSA:1576 1577 1551]
Transporter inhibition: ABCB1 [HSA:5243], SLC22A1 [HSA:6580], SLC22A2 [HSA:6582]
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
    L01ED Anaplastic lymphoma kinase (ALK) inhibitors
     L01ED01 Crizotinib
      D09731  Crizotinib (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Crizotinib
    D09731  Crizotinib (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D09731  Crizotinib (JAN/USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG03136  ALK inhibitor
    D09731  Crizotinib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D09731  Crizotinib
  DG02925  CYP3A5 substrate
   D09731  Crizotinib
 Metabolizing enzyme inhibitor
  DG02892  CYP2B6 inhibitor
   D09731  Crizotinib
  DG02852  CYP3A/CYP3A4 inhibitor
   D09731  Crizotinib
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   D09731  Crizotinib
  DG02908  SLC22A1 inhibitor
   D09731  Crizotinib
  DG02863  SLC22A2 inhibitor
   D09731  Crizotinib
Drug classes [BR:br08332]
 Antineoplastic
  DG03136  ALK inhibitor
   D09731  Crizotinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   INSR family
    ROS1* [HSA_VAR:6098v1]
     D09731  Crizotinib (JAN/USAN/INN) <JP/US>
   ALK family
    EML4-ALK [HSA_VAR:238v1]
     D09731  Crizotinib (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D09731
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09731
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D09731
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09731
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D09731
 Drug transporters
  D09731
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D09731
Other DBs
CAS: 877399-52-5
PubChem: 124490471
ChEBI: 64310
PDB-CCD: VGH[PDBj]
LigandBox: D09731
KCF data

ATOM        30
            1   C8x C    15.1200  -18.3400
            2   C8y C    15.1200  -19.7400
            3   C8x C    16.3100  -20.4400
            4   C8y C    17.5700  -19.7400
            5   C8y C    17.5700  -18.3400
            6   N5x N    16.3100  -17.6400
            7   N1a N    18.7600  -17.6400
            8   O2a O    18.7600  -20.4400
            9   C1c C    19.9500  -19.7400
            10  C8y C    21.1400  -20.4400
            11  C8y C    21.1400  -21.8400
            12  C8x C    22.4000  -22.5400
            13  C8x C    23.5900  -21.8400
            14  C8y C    23.5900  -20.4400
            15  C8y C    22.4000  -19.7400
            16  X   Cl   22.4000  -18.3400
            17  X   F    24.7800  -19.7400
            18  X   Cl   19.9500  -22.5400
            19  C1a C    19.9500  -18.3400
            20  C8y C    13.9300  -20.4400
            21  C8x C    12.8100  -19.6700
            22  N5x N    11.6900  -20.4400
            23  N4y N    12.1100  -21.7700
            24  C8x C    13.5100  -21.7700
            25  C1y C    10.9200  -22.4700
            26  C1x C     9.7300  -21.7700
            27  C1x C     8.4700  -22.4700
            28  N1x N     8.4700  -23.8700
            29  C1x C     9.6600  -24.5700
            30  C1x C    10.9200  -23.8700
BOND        33
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     4   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   10  15 1
            17   15  16 1
            18   14  17 1
            19   11  18 1
            20    9  19 1 #Down
            21    2  20 1
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 1
            26   20  24 2
            27   23  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   25  30 1

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