KEGG   DRUG: D09960Help
Entry
D09960                      Drug                                   

Name
Ruxolitinib phosphate (JAN/USAN);
Jakafi (TN);
Jakavi (TN)
Product
Formula
C17H18N6. H3PO4
Exact mass
404.1362
Mol weight
404.3602
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of cancer
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Target
janus kinase 1 (JAK1) inhibitor [HSA:3716] [KO:K11217];
janus kinase 2 (JAK2) inhibitor [HSA:3717] [KO:K04447]
  Pathway
hsa04062  Chemokine signaling pathway
hsa04630  Jak-STAT signaling pathway  
 
Interaction
Drug interaction
Structure map
Antineoplastics - protein kinases inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE18 Ruxolitinib
      D09960  Ruxolitinib phosphate (JAN/USAN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Ruxolitinib
    D09960  Ruxolitinib phosphate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D09960  Ruxolitinib phosphate (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Tyrosine protein kinases
   JAK family
    janus kinase 1
     Ruxolitinib
      D09960  Ruxolitinib phosphate (JAN/USAN)
    Janus kinase 2
     Ruxolitinib
      D09960  Ruxolitinib phosphate (JAN/USAN)
Antineoplastics [BR:br08308]
 Molecularly targeted agents
  Receptor tyrosine kinase inhibitor
   Ruxolitinib
    D09960  Ruxolitinib phosphate (JAN/USAN)
BRITE hierarchy
Other DBs
CAS: 
1092939-17-7
PubChem: 
LigandBox: 
KCF data Show

ATOM        28
            1   C8x C    28.7700  -22.8200
            2   N5x N    28.7700  -24.2200
            3   C8y C    29.9600  -24.9200
            4   C8y C    31.2200  -24.2200
            5   C8y C    31.2200  -22.8200
            6   N5x N    29.9600  -22.1200
            7   C8x C    32.5500  -24.6400
            8   C8x C    33.3200  -23.5200
            9   N4x N    32.5500  -22.4000
            10  C8y C    29.9600  -26.3200
            11  C8x C    28.8400  -27.1600
            12  N4y N    29.2600  -28.4900
            13  N5x N    30.6600  -28.4900
            14  C8x C    31.1500  -27.1600
            15  C1b C    26.8800  -28.4900
            16  C1c C    28.0700  -29.1900
            17  C1y C    28.0700  -30.5900
            18  C3b C    26.8800  -27.0900
            19  N3a N    26.8800  -25.6900
            20  C1x C    26.9500  -31.4300
            21  C1x C    27.3700  -32.7600
            22  C1x C    28.7700  -32.7600
            23  C1x C    29.1900  -31.4300
            24  O1c O    34.0900  -27.9300
            25  P1b P    35.4900  -27.9300
            26  O1c O    36.8900  -27.9300
            27  O1c O    35.4900  -26.5300
            28  O1c O    35.4900  -29.3300
BOND        30
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    3  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 1
            15   13  14 2
            16   10  14 1
            17   15  16 1
            18   16  12 1
            19   16  17 1 #Up
            20   15  18 1
            21   18  19 3
            22   17  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   17  23 1
            27   24  25 1
            28   25  26 1
            29   25  27 2
            30   25  28 1

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