KEGG   DRUG: IbrutinibHelp
Entry
D10223                      Drug                                   

Name
Ibrutinib (JAN/USAN);
Imbruvica (TN)
Product
Formula
C25H24N6O2
Exact mass
440.1961
Mol weight
440.4971
Structure
Mol fileKCF fileDB search
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
Remark
Therapeutic category: 4291
ATC code: L01XE27
Product: D10223<JP/US>
Efficacy
Antineoplastic, Bruton's tyrosine kinase inhibitor
  Disease
Mantle cell lymphoma [DS:H01464]
Chronic lymphocytic leukemia [DS:H00005]
Chronic lymphocytic leukemia (chromosome 17p deletion) [DS:H00005]
Waldenström's macroglobulinemia [DS:H00011]
Chronic graft versus host disease [DS:H00084]
Target
BTK [HSA:695] [KO:K07370]
  Pathway
hsa04662  B cell receptor signaling pathway
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE27 Ibrutinib
      D10223  Ibrutinib (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Ibrutinib
    D10223  Ibrutinib (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D10223  Ibrutinib (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   Tec family
    BTK
     D10223  Ibrutinib (JAN/USAN) <JP/US>
Antineoplastics [br08340.html]
 D10223
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D10223
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10223
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10223
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10223
Pharmacogenomic biomarkers [br08341.html]
 Companion diagnostics
  D10223
BRITE hierarchy
Other DBs
CAS: 936563-96-1
PubChem: 163312254
ChEBI: 76612
ChEMBL: CHEMBL1873475
PDB-CCD: 1E8[PDBj]
LinkDB All DBs
KCF data Show

ATOM        33
            1   C8x C    18.4100  -20.7200
            2   N5x N    18.4100  -22.1200
            3   C8y C    19.6000  -22.8200
            4   C8y C    20.8600  -22.1200
            5   C8y C    20.8600  -20.7200
            6   N5x N    19.6000  -20.0200
            7   N1a N    19.6000  -24.2200
            8   C8y C    22.1900  -22.5400
            9   N5x N    22.9600  -21.4200
            10  N4y N    22.1900  -20.3000
            11  C8y C    23.3800  -23.2400
            12  C8x C    23.3800  -24.6400
            13  C8x C    24.6400  -25.3400
            14  C8y C    25.8300  -24.6400
            15  C8x C    25.8300  -23.2400
            16  C8x C    24.6400  -22.5400
            17  O2a O    27.0200  -25.3400
            18  C8y C    28.2100  -24.6400
            19  C8x C    29.4000  -25.3400
            20  C8x C    30.6600  -24.6400
            21  C8x C    30.6600  -23.2400
            22  C8x C    29.4700  -22.5400
            23  C8x C    28.2100  -23.2400
            24  C1y C    22.6800  -18.9700
            25  C1x C    24.0800  -18.6900
            26  N1y N    24.5000  -17.3600
            27  C1x C    23.5900  -16.3100
            28  C1x C    22.1900  -16.5900
            29  C1x C    21.7000  -17.9200
            30  C5a C    25.6900  -16.6600
            31  C2b C    26.8800  -17.3600
            32  O5a O    25.6900  -15.2600
            33  C2a C    28.0700  -16.6600
BOND        37
            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 2
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   14  17 1
            20   17  18 1
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   18  23 1
            27   24  10 1 #Down
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   24  29 1
            34   30  31 1
            35   30  26 1
            36   30  32 2
            37   31  33 2

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