KEGG   DRUG: D08279Help
Entry
D08279                      Drug                                   
Name
Tozasertib (USAN)
Formula
C23H28N8OS
Exact mass
464.2107
Mol weight
464.5864
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic
Target
aurora kinase inhibitor [HSA:6790 9212 6795] [KO:K11481 K11479 K11480];
Bcr-Abl tyrosine kinase inhibitor [HSA:25] [KO:K06619];
FLT3 inhibitor [HSA:2322] [KO:K05092];
janus kinase 2 (JAK2) inhibitor [HSA:3717] [KO:K04447]
  Pathway
hsa04630  Jak-STAT signaling pathway
hsa05200  Pathways in cancer  
 
Brite
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class III (PDGF receptor family)
    Fms-related tyrosine kinase 3 [HSA:2322] [KO:K05092]
     Tozasertib
      D08279  Tozasertib (USAN)
 Protein kinases
  Serine/threonine protein kinases: Others
   Aur family
    aurora kinase [HSA:6790 9212 6795] [KO:K11481 K11479 K11480]
     Tozasertib
      D08279  Tozasertib (USAN)
  Tyrosine protein kinases
   Abl family
    Bcr-Abl tyrosine kinase [HSA:25] [KO:K06619]
     Tozasertib
      D08279  Tozasertib (USAN)
   JAK family
    Janus kinase 2 [HSA:3717] [KO:K04447]
     Tozasertib
      D08279  Tozasertib (USAN)
BRITE hierarchy
Other DBs
CAS: 
639089-54-6
PubChem: 
PDB-CCD: 
LigandBox: 
KCF data Show

ATOM        33
            1   C8x C    12.3900  -18.6200
            2   C8y C    12.3900  -20.0200
            3   C8x C    13.5800  -20.7200
            4   C8x C    14.8400  -20.0200
            5   C8y C    14.8400  -18.6200
            6   C8x C    13.5800  -17.9200
            7   S2a S    16.0300  -17.9200
            8   C8y C    17.2200  -18.6200
            9   N5x N    17.2200  -20.0200
            10  C8y C    18.4800  -20.7200
            11  C8x C    19.6700  -20.0200
            12  C8y C    19.6700  -18.6200
            13  N5x N    18.4800  -17.9200
            14  N1b N    20.8600  -17.9200
            15  C8y C    22.0500  -18.6200
            16  N1y N    18.4800  -22.1200
            17  C1x C    17.2900  -22.8200
            18  C1x C    17.2900  -24.2200
            19  N1y N    18.4800  -24.9200
            20  C1x C    19.6700  -24.2200
            21  C1x C    19.6700  -22.8200
            22  C1a C    18.4800  -26.3200
            23  N1b N    11.2000  -20.7200
            24  C5a C    10.0100  -20.0200
            25  C1y C     8.8200  -20.7200
            26  O5a O    10.0100  -18.6200
            27  C1x C     7.4395  -20.7056
            28  C1x C     8.1367  -21.9197
            29  N5x N    22.4782  -19.9529
            30  N4x N    23.8783  -19.9575
            31  C8y C    24.3153  -18.6274
            32  C8x C    23.1853  -17.8008
            33  C1a C    25.6273  -18.2057
BOND        37
            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     5   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   12  14 1
            16   14  15 1
            17   10  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   16  21 1
            24   19  22 1
            25    2  23 1
            26   23  24 1
            27   24  25 1
            28   24  26 2
            29   27  28 1
            30   28  25 1
            31   25  27 1
            32   15  29 2
            33   29  30 1
            34   30  31 1
            35   31  32 2
            36   15  32 1
            37   31  33 1

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