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KEGG   DRUG: Tirabrutinib hydrochloride
Entry
D11070                      Drug                                   
Name
Tirabrutinib hydrochloride (JAN/USAN);
Velexbru (TN)
Formula
C25H22N6O3. HCl
Exact mass
490.1520
Mol weight
490.94
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG02022  BTK inhibitor
Remark
Therapeutic category: 4291
ATC code: L01EL06
Chemical structure group: DG03266
Product (DG03266): D11070<JP>
Efficacy
Antineoplastic, Bruton's tyrosine kinase inhibitor
Target
BTK [HSA:695] [KO:K07370]
  Pathway
hsa04611  Platelet activation
hsa04662  B cell receptor signaling pathway
hsa04664  Fc epsilon RI signaling pathway
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
     L01EL06 Tirabrutinib
      D11070  Tirabrutinib hydrochloride (JAN/USAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D11070  Tirabrutinib hydrochloride (JAN/USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG02022  BTK inhibitor
    DG03266  Tirabrutinib
     D11070  Tirabrutinib hydrochloride
Drug classes [BR:br08332]
 Antineoplastic
  DG02022  BTK inhibitor
   D11070  Tirabrutinib hydrochloride
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   TEC family
    BTK
     D11070  Tirabrutinib hydrochloride (JAN/USAN) <JP>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D11070
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11070
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG02022  BTK inhibitor
    DG03266  Tirabrutinib
Other DBs
CAS: 1439901-97-9
PubChem: 375581017
LinkDB
KCF data

ATOM        35
            1   C8x C    12.5177  -16.7143
            2   N5x N    12.5177  -18.1130
            3   C8y C    13.7065  -18.8123
            4   C8y C    14.9653  -18.1130
            5   C8y C    14.9653  -16.7143
            6   N5x N    13.7065  -16.0150
            7   N1a N    13.7065  -20.2110
            8   N4y N    16.2940  -18.5326
            9   C8y C    17.0633  -17.4136
            10  N4y N    16.2940  -16.2947
            11  O5x O    18.4620  -17.4136
            12  C1y C    16.7836  -14.9660
            13  C1x C    18.1123  -14.5464
            14  N1y N    18.1123  -13.1477
            15  C1x C    16.7836  -12.6582
            16  C1x C    15.9444  -13.7771
            17  C5a C    19.3012  -12.4484
            18  C3b C    20.4900  -13.1477
            19  O5a O    19.3012  -11.0497
            20  C3b C    21.6789  -13.8471
            21  C1a C    22.9377  -14.5464
            22  C8y C    17.4829  -19.2319
            23  C8x C    17.4829  -20.6305
            24  C8x C    18.6718  -21.3299
            25  C8y C    19.9305  -20.6305
            26  C8x C    19.9305  -19.2319
            27  C8x C    18.6718  -18.5326
            28  O2a O    21.1194  -21.3299
            29  C8y C    22.3083  -20.6305
            30  C8x C    23.4971  -21.3299
            31  C8x C    24.7559  -20.6305
            32  C8x C    24.7559  -19.2319
            33  C8x C    23.5671  -18.5326
            34  C8x C    22.3083  -19.2319
            35  X   Cl   26.6700  -17.0100
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     3   7 1
            8     4   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 2
            13   12  10 1 #Down
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   12  16 1
            19   17  18 1
            20   17  14 1
            21   17  19 2
            22   18  20 3
            23   20  21 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   25  28 1
            30   28  29 1
            31   29  30 2
            32   30  31 1
            33   31  32 2
            34   32  33 1
            35   33  34 2
            36   29  34 1
            37   27  22 1
            38   22   8 1

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