KEGG   DRUG: Onvansertib fumarate
Entry
D11459                      Drug                                   
Name
Onvansertib fumarate (USAN)
Formula
C24H27F3N8O3. C4H4O4
Exact mass
648.2268
Mol weight
648.5903
Structure
Simcomp
Remark
Chemical structure group: DG03017
Efficacy
Antineoplastic, Polo-like kinase inhibitor
Target
PLK1 [HSA:5347] [KO:K06631]
  Pathway
hsa04110  Cell cycle
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   Other
    PLK1
     D11459  Onvansertib fumarate (USAN)
Other DBs
CAS: 1263293-37-3
PubChem: 384585436
LinkDB
KCF data

ATOM        46
            1   N1y N    26.3758  -18.7996
            2   C1x C    26.3758  -17.3967
            3   C1x C    25.1833  -16.6952
            4   N1y N    23.9206  -17.3967
            5   C1x C    23.9206  -18.7996
            6   C1x C    25.1833  -19.5011
            7   C1a C    27.5683  -19.5011
            8   C8y C    22.7281  -16.6952
            9   C8x C    22.7281  -15.2922
            10  C8x C    21.4654  -14.5908
            11  C8y C    20.3430  -15.2922
            12  C8y C    20.3430  -16.6952
            13  C8x C    21.4654  -17.3967
            14  N1b N    19.1505  -17.3967
            15  C8y C    17.9580  -16.6952
            16  O2a O    19.1505  -14.5908
            17  C1d C    19.1505  -13.2580
            18  N5x N    17.9580  -15.2922
            19  C8x C    16.6954  -14.5908
            20  C8y C    15.5028  -15.2922
            21  C8y C    15.5028  -16.6952
            22  N5x N    16.6954  -17.3967
            23  C1x C    14.3103  -14.5908
            24  C1x C    13.0477  -15.2922
            25  C8y C    13.0477  -16.6952
            26  C8y C    14.3103  -17.3967
            27  C8y C    11.9954  -17.6071
            28  N5x N    12.6268  -18.9399
            29  N4y N    13.9596  -18.7996
            30  C5a C    10.5925  -17.3265
            31  N1a N     9.6806  -18.3788
            32  O5a O    10.1716  -15.9937
            33  C1b C    14.9417  -19.7817
            34  C1b C    16.3446  -19.5011
            35  O1a O    17.2565  -20.5533
            36  X   F    20.4833  -13.2580
            37  X   F    17.7476  -13.2580
            38  X   F    19.1505  -11.8550
            39  C6a C    29.7500  -15.8900
            40  C2b C    30.9624  -16.5900
            41  O6a O    28.5376  -16.5900
            42  O6a O    29.7500  -14.4900
            43  C2b C    32.1579  -15.8996
            44  C6a C    33.3453  -16.5851
            45  O6a O    34.5365  -15.8971
            46  O6a O    33.3453  -17.9851
BOND        49
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     4   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   11  16 1
            18   16  17 1
            19   15  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   15  22 1
            25   20  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 2
            29   21  26 1
            30   25  27 1
            31   27  28 2
            32   28  29 1
            33   26  29 1
            34   27  30 1
            35   30  31 1
            36   30  32 2
            37   29  33 1
            38   33  34 1
            39   34  35 1
            40   17  36 1
            41   17  37 1
            42   17  38 1
            43   39  40 1
            44   39  41 1
            45   39  42 2
            46   40  43 2
            47   43  44 1
            48   44  45 1
            49   44  46 2

» Japanese version   » Back

DBGET integrated database retrieval system