KEGG   DRUG: Pirtobrutinib
Entry
D12050                      Drug                                   
Name
Pirtobrutinib (JAN/USAN);
Jaypirca (TN)
Product
JAYPIRCA (Eli Lilly and Company)
Formula
C22H21F4N5O3
Exact mass
479.1581
Mol weight
479.43
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG02022  BTK inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Metabolizing enzyme inhibitor
 DG01641  CYP2C8 inhibitor
 DG01933  CYP2C19 inhibitor
 DG02852  CYP3A/CYP3A4 inhibitor
Transporter inhibitor
 DG01622  ABCB1 inhibitor
 DG02862  ABCG2 inhibitor
Remark
Therapeutic category: 4291
ATC code: L01EL05
Product: D12050<JP/US>
Efficacy
Antineoplastic, Bruton's tyrosine kinase inhibitor
  Disease
Mantle cell lymphoma [DS:H01464]
Target
BTK [HSA:695] [KO:K07370]
  Pathway
hsa04611  Platelet activation
hsa04662  B cell receptor signaling pathway
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
CYP inhibition: CYP2C8 [HSA:1558], CYP2C19 [HSA:1557], CYP3A [HSA:1576 1577 1551]
Transporter inhibition: ABCB1 [HSA:5243], ABCG2 [HSA:9429]
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
     L01EL05 Pirtobrutinib
      D12050  Pirtobrutinib (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Bruton Tyrosine Kinase Inhibitors
    Pirtobrutinib
     D12050  Pirtobrutinib (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D12050  Pirtobrutinib (JAN/USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG02022  BTK inhibitor
    D12050  Pirtobrutinib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D12050  Pirtobrutinib
 Metabolizing enzyme inhibitor
  DG01641  CYP2C8 inhibitor
   D12050  Pirtobrutinib
  DG01933  CYP2C19 inhibitor
   D12050  Pirtobrutinib
  DG02852  CYP3A/CYP3A4 inhibitor
   D12050  Pirtobrutinib
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   D12050  Pirtobrutinib
  DG02862  ABCG2 inhibitor
   D12050  Pirtobrutinib
Drug classes [BR:br08332]
 Antineoplastic
  DG02022  BTK inhibitor
   D12050  Pirtobrutinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   TEC family
    BTK
     D12050  Pirtobrutinib (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D12050
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D12050
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D12050
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D12050
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D12050
 Drug transporters
  D12050
Other DBs
CAS: 2101700-15-4
PubChem: 497620463
ChEBI: 229212
LinkDB
KCF data

ATOM        34
            1   C8y C    25.8974  -13.9283
            2   C8x C    25.8974  -15.3282
            3   C8x C    24.7075  -16.0281
            4   C8y C    23.4477  -15.3282
            5   C8y C    23.4477  -13.9283
            6   C8x C    24.7075  -13.2284
            7   X   F    27.0873  -13.2284
            8   O2a O    22.2578  -16.0281
            9   C1a C    22.2578  -17.4280
            10  C5a C    22.2578  -13.2284
            11  N1b N    21.0679  -13.9283
            12  O5a O    22.2578  -11.8285
            13  C1b C    19.8780  -13.2284
            14  C8y C    18.6881  -13.9283
            15  C8x C    18.6881  -15.3282
            16  C8x C    17.4282  -16.0281
            17  C8y C    16.2384  -15.3282
            18  C8x C    16.2384  -13.9283
            19  C8x C    17.4282  -13.2284
            20  C8y C    15.0485  -16.0281
            21  N5x N    14.9085  -17.4280
            22  N4y N    13.5086  -17.7079
            23  C8y C    12.8087  -16.5181
            24  C8y C    13.7186  -15.4682
            25  C5a C    13.4386  -14.0683
            26  N1a N    12.1088  -13.6483
            27  O5a O    14.4885  -13.1584
            28  N1a N    11.4088  -16.3781
            29  C1c C    12.9487  -18.9678
            30  C1d C    11.5488  -19.1078
            31  C1a C    13.7886  -20.0877
            32  X   F    10.1490  -19.1078
            33  X   F    11.5488  -20.5077
            34  X   F    11.5488  -17.7079
BOND        36
            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     4   8 1
            9     8   9 1
            10    5  10 1
            11   10  11 1
            12   10  12 2
            13   11  13 1
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   14  19 1
            21   17  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 1
            25   23  24 2
            26   20  24 1
            27   24  25 1
            28   25  26 1
            29   25  27 2
            30   23  28 1
            31   22  29 1
            32   29  30 1
            33   29  31 1
            34   30  32 1
            35   30  33 1
            36   30  34 1

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