KEGG   DRUG: BrigatinibHelp
Entry
D10866                      Drug                                   

Name
Brigatinib (USAN);
Alunbrig (TN)
Product
Formula
C29H39ClN7O2P
Exact mass
583.2591
Mol weight
584.0924
Structure
Mol fileKCF fileDB search
Remark
ATC code: L01XE43
Product: D10866<US>
Efficacy
Antineoplastic, Anaplastic lymphoma kinase (ALK) inhibitor
  Disease
Non-small cell lung cancer (ALK positive) [DS:H00014]
Target
EML4-ALK [HSA_VAR:238v2] [HSA:238] [KO:K05119]
  Network
N10004  Second/third-generation tyrosine kinase inhibitor to ALK fusion
  Pathway
hsa05200  Pathways in cancer
hsa05223  Non-small cell lung cancer
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE43 Brigatinib
      D10866  Brigatinib (USAN) <US>
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   ALK family
    EML4-ALK [HSA_VAR:238v2]
     D10866  Brigatinib (USAN) <US>
Antineoplastics [br08340.html]
 D10866
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D10866
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10866
Pharmacogenomic biomarkers [br08341.html]
 Companion diagnostics
  D10866
BRITE hierarchy
Other DBs
CAS: 1197953-54-0
PubChem: 319902666
ChEMBL: CHEMBL3545311
PDB-CCD: 6GY[PDBj]
LinkDB All DBs
KCF data Show

ATOM        40
            1   C8y C    22.4000  -17.0100
            2   C8x C    22.4000  -18.4100
            3   C8x C    23.6124  -19.1100
            4   C8x C    24.8249  -18.4100
            5   C8x C    24.8249  -17.0100
            6   C8y C    23.6124  -16.3100
            7   N1b N    21.1876  -16.3100
            8   C8y C    19.9921  -17.0004
            9   N5x N    18.8047  -16.3149
            10  C8y C    17.5923  -17.0150
            11  N5x N    17.5924  -18.4150
            12  C8x C    18.7797  -19.1004
            13  C8y C    19.9921  -18.4004
            14  N1b N    16.3610  -16.3040
            15  C8y C    15.1603  -16.9973
            16  C8x C    13.9756  -16.3133
            17  C8x C    12.7632  -17.0133
            18  C8y C    12.7632  -18.4133
            19  C8x C    13.9479  -19.0973
            20  C8y C    15.1603  -18.3973
            21  N1y N    11.5350  -19.1226
            22  C1x C    10.3284  -18.4261
            23  C1x C     9.1160  -19.1262
            24  C1y C     9.1161  -20.5262
            25  C1x C    10.3226  -21.2227
            26  C1x C    11.5350  -20.5226
            27  N1y N     7.8988  -21.2292
            28  C1x C     6.6865  -20.5295
            29  C1x C     5.4742  -21.2296
            30  N1y N     5.4744  -22.6296
            31  C1x C     6.6867  -23.3293
            32  C1x C     7.8990  -22.6292
            33  C1a C     4.2599  -23.3310
            34  X   Cl   21.2296  -19.1149
            35  P1a P    23.6124  -14.9102
            36  O3b O    23.6124  -13.5102
            37  C1a C    25.0124  -14.9102
            38  C1a C    22.2124  -14.9102
            39  O2a O    16.4004  -19.1134
            40  C1a C    16.4004  -20.5134
BOND        44
            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     1   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   10  14 1
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   18  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   21  26 1
            30   24  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   27  32 1
            37   30  33 1
            38   13  34 1
            39    6  35 1
            40   35  36 2
            41   35  37 1
            42   35  38 1
            43   20  39 1
            44   39  40 1

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