KEGG   DRUG: D08344Help
Entry
D08344                      Drug                                   

Name
Tozasertib lactate (USAN);
MK-0457
Formula
C23H28N8OS. (C3H6O3)x
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
     Tozasertib
      D08344  Tozasertib lactate (USAN)
 Protein kinases
  Serine/threonine protein kinases: Others
   Aur family
    aurora kinase
     Tozasertib
      D08344  Tozasertib lactate (USAN)
  Tyrosine protein kinases
   Abl family
    Bcr-Abl tyrosine kinase
     Tozasertib
      D08344  Tozasertib lactate (USAN)
   JAK family
    Janus kinase 2
     Tozasertib
      D08344  Tozasertib lactate (USAN)
BRITE hierarchy
Other DBs
CAS: 
899827-04-4
PubChem: 
LigandBox: 
KCF data Show

ATOM        39
            1   C8x C    10.5000  -19.1800
            2   C8y C    10.5000  -20.5800
            3   C8x C    11.6900  -21.2800
            4   C8x C    12.9500  -20.5800
            5   C8y C    12.9500  -19.1800
            6   C8x C    11.6900  -18.4800
            7   S2a S    14.1400  -18.4800
            8   C8y C    15.3300  -19.1800
            9   N5x N    15.3300  -20.5800
            10  C8y C    16.5900  -21.2800
            11  C8x C    17.7800  -20.5800
            12  C8y C    17.7800  -19.1800
            13  N5x N    16.5900  -18.4800
            14  N1b N    18.9700  -18.4800
            15  C8y C    20.1600  -19.1800
            16  N1y N    16.5900  -22.6800
            17  C1x C    15.4000  -23.3800
            18  C1x C    15.4000  -24.7800
            19  N1y N    16.5900  -25.4800
            20  C1x C    17.7800  -24.7800
            21  C1x C    17.7800  -23.3800
            22  C1a C    16.5900  -26.8800
            23  N1b N     9.3100  -21.2800
            24  C5a C     8.1200  -20.5800
            25  C1y C     6.8600  -21.2800
            26  O5a O     8.1200  -19.1800
            27  C1x C     5.5300  -21.2800
            28  C1x C     6.2300  -22.4700
            29  N5x N    20.5800  -20.5100
            30  N4x N    21.9800  -20.5100
            31  C8y C    22.4700  -19.1800
            32  C8x C    21.2800  -18.3400
            33  C1a C    23.7300  -18.7600
            34  O1a O    27.9300  -21.4900
            35  C1c C    29.1424  -22.1900
            36  C6a C    30.3379  -21.4996
            37  C1a C    29.1425  -23.5898
            38  O6a O    31.5253  -22.1851
            39  O6a O    30.3380  -20.0903
BOND        42
            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
            38   35  34 1 #Down
            39   35  36 1
            40   35  37 1
            41   36  38 1
            42   36  39 2
BRACKET     1    26.3200  -24.7800   26.3200  -19.3900
            1    33.1800  -19.3900   33.1800  -24.7800
            1  x
 ORIGINAL  1   34  35  36  37  38  39
 REPEAT    1

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