KEGG   DRUG: Ceritinib
Entry
D10551                      Drug                                   
Name
Ceritinib (JAN/USAN/INN);
Zykadia (TN)
Product
ZYKADIA (Novartis Pharmaceuticals Corporation)
Formula
C28H36ClN5O3S
Exact mass
557.2227
Mol weight
558.1351
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG03136  ALK inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG01643  CYP2C9 inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
Remark
Therapeutic category: 4291
ATC code: L01ED02
Product: D10551<JP/US>
Efficacy
Antineoplastic, Anaplastic lymphoma kinase (ALK) inhibitor
  Disease
Non-small cell lung cancer (ALK positive) [DS:H00014]
Target
EML4-ALK [HSA_VAR:238v1] [HSA:238] [KO:K05119]
  Pathway
hsa05200  Pathways in cancer
hsa05223  Non-small cell lung cancer
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
CYP inhibition: CYP2C9 [HSA:1559]
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
     L01ED02 Ceritinib
      D10551  Ceritinib (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Ceritinib
    D10551  Ceritinib (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D10551  Ceritinib (JAN/USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG03136  ALK inhibitor
    D10551  Ceritinib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   D10551  Ceritinib
 Metabolizing enzyme inhibitor
  DG01643  CYP2C9 inhibitor
   D10551  Ceritinib
  DG02852  CYP3A/CYP3A4 inhibitor
   D10551  Ceritinib
Drug classes [BR:br08332]
 Antineoplastic
  DG03136  ALK inhibitor
   D10551  Ceritinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   ALK family
    EML4-ALK [HSA_VAR:238v1]
     D10551  Ceritinib (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10551
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10551
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10551
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10551
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10551
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D10551
Other DBs
CAS: 1032900-25-6
PubChem: 254741513
PDB-CCD: 4MK[PDBj]
LinkDB
KCF data

ATOM        38
            1   C1x C     5.6700  -17.9200
            2   N1x N     5.6700  -19.3200
            3   C1x C     6.8824  -20.0200
            4   C1x C     8.0949  -19.3200
            5   C1y C     8.0949  -17.9200
            6   C1x C     6.8824  -17.2200
            7   C8y C     9.3260  -17.2090
            8   C8y C    10.5312  -17.9047
            9   C8x C    11.7435  -17.2046
            10  C8y C    11.7435  -15.8046
            11  C8y C    10.5383  -15.1089
            12  C8x C     9.3259  -15.8090
            13  O2a O    10.5385  -13.7204
            14  C1a C    10.5316  -19.3196
            15  N1b N    12.9614  -15.1012
            16  C8y C    14.1734  -15.8007
            17  N5x N    14.1740  -17.2196
            18  C8x C    15.3867  -17.9190
            19  C8y C    16.5989  -17.2185
            20  C8y C    16.5982  -15.7996
            21  N5x N    15.3855  -15.1002
            22  X   Cl   17.8056  -17.9145
            23  N1b N    17.7954  -15.1079
            24  C8y C    19.0016  -15.8039
            25  C8x C    19.0023  -17.2196
            26  C8x C    20.2151  -17.9190
            27  C8x C    21.4272  -17.2184
            28  C8x C    21.4265  -15.8027
            29  C8y C    20.2137  -15.1033
            30  S4a S    20.2131  -13.7201
            31  O3c O    21.6131  -13.7201
            32  O3c O    18.8131  -13.7201
            33  C1c C    20.2131  -12.3201
            34  C1a C    21.4382  -11.6127
            35  C1a C    19.0134  -11.6274
            36  C1c C     9.3498  -13.0337
            37  C1a C     8.1658  -13.7170
            38  C1a C     9.3498  -11.6203
BOND        41
            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 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14   11  13 1
            15    8  14 1
            16   10  15 1
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   16  21 1
            24   19  22 1
            25   20  23 1
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   24  29 1
            33   29  30 1
            34   30  31 2
            35   30  32 2
            36   30  33 1
            37   33  34 1
            38   33  35 1
            39   13  36 1
            40   36  37 1
            41   36  38 1

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