KEGG   DRUG: D10183Help
Entry
D10183                      Drug                                   

Name
Volasertib trihydrochloride (USAN)
Formula
C34H50N8O3. 3HCl
Exact mass
726.3306
Mol weight
728.1954
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic
Target
Polo-like Kinase 1 (PLK1) inhibitor [HSA:5347] [KO:K06631]
  Pathway
hsa04110  Cell cycle  
 
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine protein kinases: Others
   PLK family
    polo-like kinase 1
     Volasertib
      D10183  Volasertib trihydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
946161-17-7
PubChem: 
LigandBox: 
KCF data Show

ATOM        48
            1   C8y C    15.0500  -21.0700
            2   C8y C    15.0500  -22.4700
            3   C8x C    16.2400  -23.1700
            4   N5x N    17.5000  -22.4700
            5   C8y C    17.5000  -21.0700
            6   N5x N    16.2400  -20.3700
            7   N1b N    18.6900  -20.3700
            8   N1y N    13.8600  -20.3700
            9   C1y C    12.6000  -21.0700
            10  C5x C    12.6000  -22.4700
            11  N1y N    13.8600  -23.1700
            12  C1c C    13.8600  -18.9700
            13  C1a C    15.0500  -18.2700
            14  C1a C    12.6700  -18.2700
            15  C1b C    11.4100  -20.3700
            16  C1a C    10.2200  -21.0700
            17  O5x O    11.4100  -23.1700
            18  C1a C    13.8600  -24.5700
            19  C8y C    19.8800  -21.0700
            20  C8x C    19.8800  -22.4700
            21  C8x C    21.1400  -23.1700
            22  C8y C    22.3300  -22.4700
            23  C8x C    22.3300  -21.0700
            24  C8y C    21.1400  -20.3700
            25  O2a O    21.1400  -18.9700
            26  C1a C    19.9500  -18.2700
            27  C5a C    23.5200  -23.1700
            28  N1b N    24.7100  -22.4700
            29  O5a O    23.5200  -24.5700
            30  C1y C    25.9000  -23.1700
            31  C1x C    25.9000  -24.5700
            32  C1x C    27.2300  -25.2700
            33  C1y C    28.4200  -24.5700
            34  C1x C    28.4200  -23.1700
            35  C1x C    27.2300  -22.4700
            36  N1y N    29.6100  -25.2700
            37  C1x C    29.6100  -26.6700
            38  C1x C    30.8700  -27.3700
            39  N1y N    32.0600  -26.6700
            40  C1x C    32.0600  -25.2700
            41  C1x C    30.8700  -24.5700
            42  C1b C    33.2500  -27.3700
            43  C1y C    34.4400  -26.6700
            44  C1x C    35.8400  -26.6700
            45  C1x C    35.1400  -25.4800
            46  X   Cl   34.5800  -18.0600
            47  X   Cl   34.5800  -19.6000
            48  X   Cl   34.5800  -21.2100
BOND        50
            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     1   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    2  11 1
            13    8  12 1
            14   12  13 1
            15   12  14 1
            16    9  15 1 #Up
            17   15  16 1
            18   10  17 2
            19   11  18 1
            20    7  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   24  25 1
            28   25  26 1
            29   22  27 1
            30   27  28 1
            31   27  29 2
            32   30  28 1 #Up
            33   30  31 1
            34   31  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   30  35 1
            39   33  36 1 #Down
            40   36  37 1
            41   37  38 1
            42   38  39 1
            43   39  40 1
            44   40  41 1
            45   36  41 1
            46   39  42 1
            47   42  43 1
            48   43  44 1
            49   44  45 1
            50   45  43 1

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