KEGG   DRUG: D09959Help
Entry
D09959                      Drug                                   

Name
Ruxolitinib (USAN/INN)
Formula
C17H18N6
Exact mass
306.1593
Mol weight
306.365
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of cancer
Remark
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
      D09959  Ruxolitinib (USAN/INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Ruxolitinib
    D09959  Ruxolitinib (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Tyrosine protein kinases
   JAK family
    janus kinase 1
     Ruxolitinib
      D09959  Ruxolitinib (USAN/INN)
    Janus kinase 2
     Ruxolitinib
      D09959  Ruxolitinib (USAN/INN)
Antineoplastics [BR:br08308]
 Molecularly targeted agents
  Receptor tyrosine kinase inhibitor
   Ruxolitinib
    D09959  Ruxolitinib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
941678-49-5
PubChem: 
PDB-CCD: 
LigandBox: 
KCF data Show

ATOM        23
            1   C8x C    19.8100  -17.0100
            2   N5x N    19.8100  -18.4100
            3   C8y C    21.0000  -19.1100
            4   C8y C    22.2600  -18.4100
            5   C8y C    22.2600  -17.0100
            6   N5x N    21.0000  -16.3100
            7   C8x C    23.5900  -18.8300
            8   C8x C    24.3600  -17.7100
            9   N4x N    23.5900  -16.5900
            10  C8y C    21.0000  -20.5100
            11  C8x C    19.8800  -21.3500
            12  N4y N    20.3000  -22.6800
            13  N5x N    21.7000  -22.6800
            14  C8x C    22.1900  -21.3500
            15  C1b C    17.9200  -22.6800
            16  C1c C    19.1100  -23.3800
            17  C1y C    19.1100  -24.7800
            18  C3b C    17.9314  -21.2800
            19  N3a N    17.9314  -19.8800
            20  C1x C    17.9774  -25.6029
            21  C1x C    18.4100  -26.9344
            22  C1x C    19.8100  -26.9344
            23  C1x C    20.2426  -25.6029
BOND        26
            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

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