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KEGG   DRUG: Crizotinib
Entry
D09731                      Drug                                   
Name
Crizotinib (JAN/USAN/INN);
Xalkori (TN)
Product
XALKORI (Pfizer Laboratories Div Pfizer)
Formula
C21H22Cl2FN5O
Exact mass
449.1185
Mol weight
450.33
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]
Inflammatory myofibroblastic tumor (ALK-positive)
Target
EML4-ALK [HSA_VAR:238v1] [HSA:238] [KO:K05119]
ROS1* [HSA_VAR:6098v1] [HSA:6098] [KO:K05088]
  Pathway
hsa05200  Pathways in cancer
hsa05223  Non-small cell lung cancer
  Network
nt06266  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
   Multitargeted Kinase Inhibitors, ALK
    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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Ontology (12)   
   KEGG BRITE (12)   
Pathway (1)   
   KEGG PATHWAY (1)   
Network (2)   
   KEGG VARIANT (2)   
Disease (2)   
   KEGG DISEASE (2)   
Drug (9)   
   KEGG DGROUP (8)   
   LigandBox (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   PDB-CCD (1)   
Gene (4)   
   KEGG ORTHOLOGY (2)   
   KEGG GENES (2)   
All databases (33)   

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