KEGG   DRUG: Peficitinib hydrobromide
Entry
D10721                      Drug                                   
Name
Peficitinib hydrobromide (JAN/USAN);
Smyraf (TN)
Formula
C18H22N4O2. HBr
Exact mass
406.1004
Mol weight
407.3048
Structure
Simcomp
Class
Anti-inflammatory
 DG01985  Disease modifying anti-rheumatic drug (DMARD)
  DG02020  JAK inhibitor
Remark
Therapeutic category: 3999
ATC code: L04AF06
Chemical structure group: DG01853
Product (DG01853): D10721<JP>
Efficacy
Antirheumatic, Immunosuppressant, Janus kinase (JAK) inhibitor
Comment
Prevention of rejection in solid organ transplantation, Treatment of psoriasis, Treatment of rheumatoid arthritis
Target
JAK1 [HSA:3716] [KO:K11217]
JAK2 [HSA:3717] [KO:K04447]
JAK3 [HSA:3718] [KO:K11218]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L04 IMMUNOSUPPRESSANTS
   L04A IMMUNOSUPPRESSANTS
    L04AF Janus-associated kinase (JAK) inhibitors
     L04AF06 Peficitinib
      D10721  Peficitinib hydrobromide (JAN/USAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D10721  Peficitinib hydrobromide (JAN/USAN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   DG02020  JAK inhibitor
    DG01853  Peficitinib
     D10721  Peficitinib hydrobromide
Drug classes [BR:br08332]
 Immunological agent
  DG02020  JAK inhibitor
   D10721  Peficitinib hydrobromide
 Antirheumatic agent
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   D10721  Peficitinib hydrobromide
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    JAK1
     D10721  Peficitinib hydrobromide (JAN/USAN) <JP>
    JAK2
     D10721  Peficitinib hydrobromide (JAN/USAN) <JP>
    JAK3
     D10721  Peficitinib hydrobromide (JAN/USAN) <JP>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10721
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10721
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   DG02020  JAK inhibitor
    DG01853  Peficitinib
Other DBs
CAS: 1353219-05-2
PubChem: 254741682
KCF data

ATOM        25
            1   C1y C    21.3500  -17.5700
            2   C8x C    19.4600  -13.3700
            3   C8y C    19.4600  -14.6300
            4   C8y C    20.5100  -15.2600
            5   C8y C    21.5600  -14.6300
            6   C8y C    21.5600  -13.3700
            7   N5x N    20.5100  -12.7400
            8   C8x C    22.7500  -14.9800
            9   C8x C    23.4500  -14.0000
            10  N4x N    22.7500  -13.0200
            11  C5a C    18.3400  -15.2600
            12  N1a N    17.2900  -14.6300
            13  O5a O    18.3400  -16.4500
            14  N1b N    20.5100  -16.4500
            15  C1y C    22.8900  -16.8700
            16  C1y C    21.2800  -18.4800
            17  C1x C    20.3700  -20.1600
            18  C1x C    24.4300  -17.2900
            19  C1z C    22.5400  -19.6000
            20  C1y C    24.7800  -18.9000
            21  C1x C    24.0800  -20.1600
            22  C1x C    22.3300  -18.2000
            23  C1x C    23.0300  -19.1800
            24  O1a O    22.8200  -20.7900
            25  X   Br   26.4600  -15.7500
BOND        28
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     5   8 1
            8     8   9 2
            9     9  10 1
            10    6  10 1
            11    3  11 1
            12   11  12 1
            13   11  13 2
            14    4  14 1
            15    1  14 1
            16    1  15 1
            17    1  16 1
            18   16  17 1
            19   15  18 1
            20   17  19 1
            21   18  20 1
            22   20  21 1
            23   19  21 1
            24   15  22 1
            25   19  22 1
            26   20  23 1
            27   16  23 1
            28   19  24 1

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