KEGG   DRUG: Abemaciclib
Entry
D10688                      Drug                                   
Name
Abemaciclib (JAN/USAN/INN);
Verzenio (TN)
Product
VERZENIO (Eli Lilly and Company)
Formula
C27H32F2N8
Exact mass
506.2718
Mol weight
506.59
Structure
Class
Antineoplastic
 DG03138  CDK inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Remark
Therapeutic category: 4291
ATC code: L01EF03
Product: D10688<JP/US>
Efficacy
Antineoplastic, Cyclin-dependent kinase (CDK) inhibitor
  Disease
Breast cancer (HR positive, HER2 negative) [DS:H00031]
Comment
Treatment of advanced cancer
Target
CDK4/6 [HSA:1019 1021] [KO:K02089 K02091]
  Pathway
hsa04110  Cell cycle
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer
hsa05224  Breast cancer
  Network
nt06270  Breast cancer
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EF Cyclin-dependent kinase (CDK) inhibitors
     L01EF03 Abemaciclib
      D10688  Abemaciclib (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Abemaciclib
    D10688  Abemaciclib (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D10688  Abemaciclib (JAN/USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03138  CDK inhibitor
   D10688  Abemaciclib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   D10688  Abemaciclib
Drug classes [BR:br08332]
 Antineoplastic
  DG03138  CDK inhibitor
   D10688  Abemaciclib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   CMGC group
    CDK4/6
     D10688  Abemaciclib (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10688
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10688
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10688
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10688
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10688
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D10688
Other DBs
CAS: 1231929-97-7
PubChem: 254741649
PDB-CCD: 6ZV[PDBj]
LinkDB
KCF data

ATOM        37
            1   C8x C    18.7600  -14.4900
            2   C8y C    18.7600  -15.8900
            3   N5x N    19.9724  -16.5900
            4   C8x C    21.1849  -15.8900
            5   C8y C    21.1849  -14.4900
            6   C8x C    19.9724  -13.7900
            7   C1x C    23.6097  -15.8900
            8   N1y N    23.6097  -14.4900
            9   C1b C    22.3973  -13.7900
            10  C1x C    24.8222  -16.5900
            11  N1y N    26.0346  -15.8900
            12  C1x C    26.0346  -14.4900
            13  C1x C    24.8222  -13.7900
            14  C1b C    27.2470  -16.5900
            15  N5x N    16.3351  -14.4900
            16  C8y C    16.3351  -15.8900
            17  N1b N    17.5476  -16.5900
            18  C8x C    15.1227  -13.7900
            19  C8y C    13.9103  -14.4900
            20  C8y C    13.9103  -15.8900
            21  N5x N    15.1227  -16.5900
            22  X   F    12.6978  -13.7900
            23  C8x C    11.4854  -15.8900
            24  C8y C    12.6978  -16.5900
            25  C8y C    10.2730  -16.5900
            26  C8y C    10.2730  -17.9900
            27  C8y C    11.4854  -18.6900
            28  C8x C    12.6978  -17.9900
            29  N5x N     9.2325  -18.9268
            30  C8y C     9.8020  -20.2058
            31  N4y N    11.1943  -20.0594
            32  C1a C     9.2325  -21.4847
            33  C1a C    11.4478  -22.4710
            34  C1c C    12.0172  -21.1920
            35  C1a C    13.4395  -20.9697
            36  C1a C    28.4594  -15.8900
            37  X   F     9.0606  -15.8900
BOND        41
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    8  13 1
            15   11  14 1
            16   15  16 2
            17   16  17 1
            18    2  17 1
            19   15  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   16  21 1
            24   19  22 1
            25   23  24 1
            26   20  24 1
            27   23  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   24  28 2
            32   26  29 1
            33   29  30 2
            34   30  31 1
            35   27  31 1
            36   30  32 1
            37   33  34 1
            38   31  34 1
            39   34  35 1
            40   14  36 1
            41   25  37 1

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