KEGG   DRUG: Zanubrutinib
Entry
D11422                      Drug                                   
Name
Zanubrutinib (JAN/USAN/INN);
Brukinsa (TN)
Product
BRUKINSA (BEIGENE USA)
Formula
C27H29N5O3
Exact mass
471.227
Mol weight
471.5509
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG02022  BTK inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Remark
ATC code: L01EL03
Product: D11422<US>
Efficacy
Antineoplastic, Bruton's tyrosine kinase inhibitor
  Disease
Mantle cell lymphoma [DS:H01464]
Target
BTK [HSA:695] [KO:K07370]
  Pathway
hsa04662  B cell receptor signaling pathway
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
    L01EL Bruton's tyrosine kinase (BTK) inhibitors
     L01EL03 Zanubrutinib
      D11422  Zanubrutinib (JAN/USAN/INN) <US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Zanubrutinib
    D11422  Zanubrutinib (JAN/USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG02022  BTK inhibitor
    D11422  Zanubrutinib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   D11422  Zanubrutinib
Drug classes [BR:br08332]
 Antineoplastic
  DG02022  BTK inhibitor
   D11422  Zanubrutinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   TEC family
    BTK
     D11422  Zanubrutinib (JAN/USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11422
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11422
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11422
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11422
Other DBs
CAS: 1691249-45-2
PubChem: 384585399
LinkDB
KCF data

ATOM        35
            1   C8y C    22.3300  -19.1100
            2   C8x C    22.3300  -20.5100
            3   C8x C    23.5900  -21.2100
            4   C8y C    24.7800  -20.5100
            5   C8x C    24.7800  -19.1100
            6   C8x C    23.5900  -18.4100
            7   O2a O    25.9700  -21.2100
            8   C8y C    27.1600  -20.5100
            9   C8x C    28.3500  -21.2100
            10  C8x C    29.6100  -20.5100
            11  C8x C    29.6100  -19.1100
            12  C8x C    28.4200  -18.4100
            13  C8x C    27.1600  -19.1100
            14  C8y C    21.1400  -18.4100
            15  N5x N    19.8800  -18.9700
            16  N4y N    18.9000  -17.9200
            17  C8y C    19.6000  -16.7300
            18  C8y C    21.0000  -17.0100
            19  C5a C    22.0500  -16.1000
            20  O5a O    23.3800  -16.5200
            21  N1a N    21.7700  -14.7000
            22  C1y C    17.5000  -17.9200
            23  C1x C    16.8700  -16.6600
            24  C1x C    17.5700  -15.4700
            25  N1x N    18.9700  -15.4700
            26  C1y C    16.8000  -19.1100
            27  C1x C    17.5000  -20.3000
            28  C1x C    16.8000  -21.5600
            29  N1y N    15.4000  -21.5600
            30  C1x C    14.7000  -20.3000
            31  C1x C    15.4000  -19.1100
            32  C5a C    14.6300  -22.7500
            33  C2b C    13.2300  -22.7500
            34  O5a O    15.3300  -23.9400
            35  C2a C    12.5300  -23.9400
BOND        39
            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     4   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    1  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 1
            19   17  18 2
            20   14  18 1
            21   18  19 1
            22   19  20 2
            23   19  21 1
            24   16  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   17  25 1
            29   22  26 1 #Down
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   26  31 1
            36   29  32 1
            37   32  33 1
            38   32  34 2
            39   33  35 2

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