KEGG   DRUG: Encorafenib
Entry
D11053                      Drug                                   
Name
Encorafenib (JAN/USAN/INN);
Braftovi (TN)
Product
BRAFTOVI (Array BioPharma)
Formula
C22H27ClFN7O4S
Exact mass
539.1518
Mol weight
540.0107
Structure
Class
Antineoplastic
 DG03159  BRAF inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 4291
ATC code: L01EC03
Product: D11053<JP/US>
Efficacy
Antineoplastic, BRAF kinase inhibitor
  Disease
Melanoma (BRAF mutation positive) [DS:H00038]
Colorectal cancer (BRAF mutation positive) [DS:H00020]
Target
BRAF* [HSA_VAR:673v1] [HSA:673] [KO:K04365]
  Network
N10007  Kinase inhibitor to BRAF mutation
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
hsa05218  Melanoma
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EC B-Raf serine-threonine kinase (BRAF) inhibitors
     L01EC03 Encorafenib
      D11053  Encorafenib (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Encorafenib
    D11053  Encorafenib (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D11053  Encorafenib (JAN/USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03159  BRAF inhibitor
   D11053  Encorafenib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D11053  Encorafenib
Drug classes [BR:br08332]
 Antineoplastic
  DG03159  BRAF inhibitor
   D11053  Encorafenib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   TKL group
    BRAF* [HSA_VAR:673v1]
     D11053  Encorafenib (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11053
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11053
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D11053
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11053
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11053
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D11053
Other DBs
PubChem: 363669766
LinkDB
KCF data

ATOM        36
            1   C8x C    13.0900  -16.2400
            2   C8x C    13.0900  -17.6400
            3   C8y C    14.2800  -18.3400
            4   N5x N    15.5400  -17.6400
            5   C8y C    15.5400  -16.2400
            6   N5x N    14.2800  -15.5400
            7   N1b N    16.7300  -15.5400
            8   C1b C    17.9200  -16.2400
            9   C1c C    19.1100  -15.5400
            10  N1b N    20.3000  -16.2400
            11  C7a C    21.4900  -15.5400
            12  O7a O    22.6800  -16.2400
            13  C1a C    23.8700  -15.5400
            14  O6a O    21.4900  -14.1400
            15  C1a C    19.1100  -14.1400
            16  C8y C    14.2800  -19.7400
            17  C8y C    13.1600  -20.5800
            18  N5x N    13.5800  -21.9100
            19  N4y N    14.9800  -21.9100
            20  C8x C    15.4700  -20.5800
            21  C8x C     9.5200  -18.4800
            22  C8y C     9.5200  -19.8800
            23  C8y C    10.7100  -20.5800
            24  C8y C    11.9700  -19.8800
            25  C8x C    11.9700  -18.4800
            26  C8y C    10.7100  -17.7800
            27  X   F    10.7100  -21.9800
            28  X   Cl   10.7100  -16.3800
            29  N1b N     8.3300  -20.5800
            30  S4a S     7.1400  -19.8800
            31  C1a C     5.9500  -20.5800
            32  O3c O     8.1200  -18.9000
            33  O3c O     6.0900  -18.9000
            34  C1c C    15.7808  -23.0584
            35  C1a C    17.1472  -23.0109
            36  C1a C    15.1922  -24.3141
BOND        38
            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     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   11  14 2
            15    9  15 1 #Down
            16    3  16 1
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 1
            21   16  20 2
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   24  25 1
            26   25  26 2
            27   21  26 1
            28   24  17 1
            29   23  27 1
            30   26  28 1
            31   22  29 1
            32   29  30 1
            33   30  31 1
            34   30  32 2
            35   30  33 2
            36   19  34 1
            37   34  35 1
            38   34  36 1

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