KEGG   DRUG: CrizotinibHelp
Entry
D09731                      Drug                                   

Name
Crizotinib (JAN/USAN/INN);
Xalkori (TN)
Product
Formula
C21H22Cl2FN5O
Exact mass
449.1185
Mol weight
450.3367
Structure
Mol fileKCF fileDB search
Class
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
 DG02925  CYP3A5 substrate
Metabolizing enzyme inhibitor
 DG02892  CYP2B6 inhibitor
Transporter inhibitor
 DG01622  ABCB1 (P-GP) inhibitor
 DG02908  SLC22A1 (OCT1) inhibitor
 DG02863  SLC22A2 (OCT2) inhibitor
Remark
Therapeutic category: 4291
ATC code: L01XE16
Product: D09731<JP/US>
Efficacy
Antineoplastic, Tyrosine kinase inhibitor
  Disease
Non-small cell lung cancer (ALK or ROS1-positive) [DS:H00014]
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]
Drug interaction
Structure map
map07045  Antineoplastics - protein kinases inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE16 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)
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>
Antineoplastics [br08340.html]
 D09731
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
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D09731
BRITE hierarchy
Other DBs
CAS: 877399-52-5
PubChem: 124490471
ChEBI: 64310
ChEMBL: CHEMBL601719
PDB-CCD: VGH[PDBj]
LigandBox: D09731
LinkDB All DBs
KCF data Show

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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