KEGG   DRUG: Cevipabulin succinateHelp
Entry
D08889                      Drug                                   

Name
Cevipabulin succinate (USAN)
Formula
C18H18ClF5N6O. C4H6O4. 2H2O
Exact mass
618.1628
Mol weight
618.9387
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01413
Efficacy
Antineoplastic, Tubulin polymerization inhibitor
Target
  Pathway
hsa04540  Gap junction
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    TUBB
     D08889  Cevipabulin succinate (USAN)
BRITE hierarchy
Other DBs
CAS: 852954-81-5
PubChem: 96025572
ChEMBL: CHEMBL2107323
LigandBox: D08889
LinkDB All DBs
KCF data Show

ATOM        41
            1   C8y C    22.6800  -17.2900
            2   C8y C    22.6800  -18.6900
            3   N5x N    23.8700  -19.3900
            4   C8y C    25.1300  -18.6900
            5   N4y N    25.1300  -17.2900
            6   C8y C    23.8700  -16.5900
            7   N5x N    26.4600  -19.1100
            8   C8x C    27.2300  -17.9900
            9   N5x N    26.4600  -16.8700
            10  X   Cl   21.4900  -19.3900
            11  N1b N    23.8700  -14.8400
            12  C8y C    21.4900  -16.5900
            13  C1c C    25.0600  -14.1400
            14  C1d C    26.2500  -14.8400
            15  X   F    27.5100  -15.5400
            16  X   F    25.5500  -16.0300
            17  X   F    26.9500  -13.6500
            18  C1a C    25.0600  -12.7400
            19  C8y C    21.4900  -15.1900
            20  C8x C    20.2300  -14.4900
            21  C8y C    19.0400  -15.1900
            22  C8x C    19.0400  -16.5900
            23  C8y C    20.2300  -17.2900
            24  X   F    22.6800  -14.4900
            25  X   F    20.2300  -18.6900
            26  O2a O    17.8500  -14.4900
            27  C1b C    16.6600  -15.1900
            28  C1b C    15.4700  -14.4900
            29  C1b C    14.2800  -15.1900
            30  N1b N    13.0900  -14.4900
            31  C1a C    11.9000  -15.1900
            32  O6a O    30.3100  -14.9800
            33  C6a C    31.5224  -14.2800
            34  C1b C    32.7349  -14.9800
            35  C1b C    33.9473  -14.2800
            36  C6a C    35.1597  -14.9800
            37  O6a O    36.3722  -14.2800
            38  O6a O    31.5224  -12.8802
            39  O6a O    35.1597  -16.3799
            40  O0  O    33.1100  -18.3400
            41  O0  O    33.1100  -18.3400
BOND        40
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 2
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    2  10 1
            12    6  11 1
            13    1  12 1
            14   11  13 1
            15   13  14 1
            16   14  15 1
            17   14  16 1
            18   14  17 1
            19   13  18 1 #Up
            20   12  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   12  23 1
            26   19  24 1
            27   23  25 1
            28   21  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   32  33 1
            35   33  34 1
            36   34  35 1
            37   35  36 1
            38   36  37 1
            39   33  38 2
            40   36  39 2
BRACKET     1    30.9400  -19.1100   30.9400  -17.1500
            1    33.7400  -17.1500   33.7400  -19.1100
            1  2
 ORIGINAL  1   40
 REPEAT    1   41

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