KEGG   DRUG: Tofacitinib citrateHelp
Entry
D09783                      Drug                                   

Name
Tofacitinib citrate (JAN/USAN);
Tasocitinib citrate;
Xeljanz (TN)
Product
Formula
C16H20N6O. C6H8O7
Exact mass
504.1969
Mol weight
504.4931
Structure
Mol fileKCF fileDB search
Class
Other
 DG02020  Janus kinase inhibitor
Metabolizing enzyme substrate
 DG01639  CYP2C19 substrate
 DG02913  CYP3A4 substrate
Remark
Therapeutic category: 3999
ATC code: L04AA29
Chemical structure group: DG00742
Product (DG00742): D09783<JP/US>
Efficacy
Antirheumatic, Janus kinase (JAK) inhibitor
  Disease
Rheumatoid arthritis [DS:H00630]
Psoriatic arthritis [DS:H01656]
Comment
Treatment of immunological disorders
Target
JAK1 [HSA:3716] [KO:K11217]
JAK2 [HSA:3717] [KO:K04447]
JAK3 [HSA:3718] [KO:K11218]
TYK2 [HSA:7297] [KO:K11219]
  Pathway
hsa04062  Chemokine signaling pathway
hsa04630  JAK-STAT signaling pathway
Metabolism
Enzyme: CYP3A4 [HSA:1576]; CYP2C19 [HSA:1557]
Interaction
Drug interaction
Structure map
map07050  Antirheumatics - DMARDs and biological agents
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L04 IMMUNOSUPPRESSANTS
   L04A IMMUNOSUPPRESSANTS
    L04AA Selective immunosuppressants
     L04AA29 Tofacitinib
      D09783  Tofacitinib citrate (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Immunological Agents
  Immune Suppressants
   Tofacitinib
    D09783  Tofacitinib citrate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D09783  Tofacitinib citrate (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    JAK1
     D09783  Tofacitinib citrate (JAN/USAN) <JP/US>
    JAK2
     D09783  Tofacitinib citrate (JAN/USAN) <JP/US>
    JAK3
     D09783  Tofacitinib citrate (JAN/USAN) <JP/US>
    TYK2
     D09783  Tofacitinib citrate (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D09783
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09783
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D09783
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09783
BRITE hierarchy
Other DBs
CAS: 540737-29-9
PubChem: 124490523
ChEBI: 71197
ChEMBL: CHEMBL2103743
LigandBox: D09783
KCF data Show

ATOM        36
            1   C1x C    24.2200  -16.0300
            2   N1y N    24.2200  -17.4300
            3   C1x C    25.4324  -18.1300
            4   C1y C    26.6449  -17.4300
            5   C1y C    26.6449  -16.0300
            6   C1x C    25.4324  -15.3300
            7   C5a C    23.0076  -18.1300
            8   C1b C    21.8121  -17.4396
            9   C3b C    20.6247  -18.1251
            10  O5a O    23.0075  -19.5298
            11  N3a N    19.4123  -18.8251
            12  C1a C    27.8760  -15.3190
            13  N1c N    27.8760  -18.1410
            14  C1a C    29.0812  -17.4453
            15  C8y C    27.8757  -19.5299
            16  N5x N    26.6514  -20.2366
            17  C8x C    26.6512  -21.6366
            18  N5x N    27.8635  -22.3367
            19  C8y C    29.0879  -21.6301
            20  C8y C    29.0881  -20.2301
            21  N4x N    30.4193  -22.0629
            22  C8x C    31.2424  -20.9304
            23  C8x C    30.4196  -19.7976
            24  C6a C    34.0900  -17.9900
            25  C1b C    35.3024  -18.6900
            26  O6a O    32.8776  -18.6900
            27  O6a O    34.0900  -16.5900
            28  C1d C    36.4979  -17.9996
            29  C1b C    37.6853  -18.6851
            30  C6a C    37.6853  -20.0851
            31  O6a O    36.4518  -20.7974
            32  O6a O    38.8807  -20.7754
            33  C6a C    37.1979  -16.7872
            34  O6a O    36.4979  -15.5747
            35  O6a O    38.5699  -16.7874
            36  O1a O    35.7979  -16.7872
BOND        37
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     2   7 1
            8     7   8 1
            9     8   9 1
            10    7  10 2
            11    9  11 3
            12    5  12 1 #Up
            13    4  13 1 #Up
            14   13  14 1
            15   13  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   15  20 1
            22   19  21 1
            23   21  22 1
            24   22  23 2
            25   20  23 1
            26   24  25 1
            27   24  26 1
            28   24  27 2
            29   25  28 1
            30   28  29 1
            31   29  30 1
            32   30  31 2
            33   30  32 1
            34   28  33 1
            35   33  34 1
            36   33  35 2
            37   28  36 1

» Japanese version   » Back

DBGET integrated database retrieval system