KEGG   DRUG: TozasertibHelp
Entry
D08279                      Drug                                   

Name
Tozasertib (USAN)
Formula
C23H28N8OS
Exact mass
464.2107
Mol weight
464.5864
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
Unclassified
 DG02022  Non-receptor tyrosine kinase inhibitor
 DG02020  Janus kinase inhibitor
Remark
Chemical group: 
Activity
Antineoplastic, Serine/threonine kinase inhibitor
Target
AURK [HSA:6790 9212 6795] [KO:K11481 K11479 K11480];
BCR-ABL [HSA:25] [KO:K06619];
FLT3 (CD135) [HSA:2322] [KO:K05092];
JAK2 [HSA:3717] [KO:K04447]
  Pathway
Jak-STAT signaling pathway
Pathways in cancer
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class III (PDGF receptor family)
    Fms-related tyrosine kinase 3
     Tozasertib
      D08279  Tozasertib (USAN)
 Protein kinases
  Serine/threonine protein kinases: Others
   Aur family
    aurora kinase
     Tozasertib
      D08279  Tozasertib (USAN)
  Tyrosine protein kinases
   Abl family
    Bcr-Abl tyrosine kinase
     Tozasertib
      D08279  Tozasertib (USAN)
   JAK family
    Janus kinase 2
     Tozasertib
      D08279  Tozasertib (USAN)
BRITE hierarchy
Other DBs
CAS: 
639089-54-6
PubChem: 
ChEMBL: 
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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