KEGG   DRUG: D09970Help
Entry
D09970                      Drug                                   

Name
Tofacitinib (USAN);
Tasocitinib
Formula
C16H20N6O
Exact mass
312.1699
Mol weight
312.3696
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of immunological disorders
Remark
ATC code: 
Drug group: 
Target
Janus kinase 3 (JAK3) inhibitor [HSA:3718] [KO:K11218]
  Pathway
hsa04062  Chemokine signaling pathway
hsa04630  Jak-STAT signaling pathway  
 
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L04 IMMUNOSUPPRESSANTS
   L04A IMMUNOSUPPRESSANTS
    L04AA Selective immunosuppressants
     L04AA29 Tofacitinib
      D09970  Tofacitinib (USAN)
USP drug classification [BR:br08302]
 Immunological Agents
  Immune Suppressants
   Tofacitinib
    D09970  Tofacitinib (USAN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Tyrosine protein kinases
   JAK family
    Janus kinase 3
     Tofacitinib
      D09970  Tofacitinib (USAN)
BRITE hierarchy
Other DBs
CAS: 
477600-75-2
PubChem: 
PDB-CCD: 
LigandBox: 
KCF data Show

ATOM        23
            1   C1x C    28.9800  -24.6400
            2   N1y N    28.9800  -26.0400
            3   C1x C    30.2400  -26.7400
            4   C1y C    31.4300  -26.0400
            5   C1y C    31.4300  -24.6400
            6   C1x C    30.2400  -23.9400
            7   C5a C    27.7900  -26.7400
            8   C1b C    26.6000  -26.0400
            9   C3b C    25.4100  -26.7400
            10  O5a O    27.7900  -28.1400
            11  N3a N    24.2200  -27.4400
            12  C1a C    32.6900  -23.9400
            13  N1c N    32.6900  -26.8100
            14  C1a C    33.8800  -26.1100
            15  C8y C    32.6900  -28.1400
            16  N5x N    31.4300  -28.8400
            17  C8x C    31.4300  -30.3100
            18  N5x N    32.6900  -31.0100
            19  C8y C    33.8800  -30.2400
            20  C8y C    33.8800  -28.8400
            21  N4x N    35.2100  -30.7300
            22  C8x C    36.0500  -29.5400
            23  C8x C    35.2100  -28.4200
BOND        25
            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

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