KEGG   DRUG: Sergolexole maleate
Entry
D05829                      Drug                                   
Name
Sergolexole maleate (USAN)
Formula
C26H36N2O3. C4H4O4
Exact mass
540.2836
Mol weight
540.6478
Structure
Class
Neuropsychiatric agent
 DG01964  Ergot alkaloid
  DG01982  Antimigraine, ergot alkaloid
Efficacy
Antimigraine, Serotonin 5-HT2 receptor antagonist
Target
HTR2 [HSA:3356 3357 3358] [KO:K04157]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04726  Serotonergic synapse
Interaction
Brite
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01964  Ergot alkaloid
   DG01982  Antimigraine, ergot alkaloid
    D05829  Sergolexole maleate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Serotonin
    HTR2
     D05829  Sergolexole maleate (USAN)
Other DBs
CAS: 108674-87-9
PubChem: 47207490
LigandBox: D05829
LinkDB
KCF data

ATOM        39
            1   C8x C    19.4405  -16.7152
            2   C8x C    19.4405  -18.1074
            3   C8y C    20.6241  -18.8036
            4   C8x C    20.6936  -16.0190
            5   C8y C    21.8075  -16.7152
            6   C8y C    21.8075  -18.1074
            7   C8y C    22.9910  -18.8036
            8   C1x C    24.1744  -18.1074
            9   C1y C    23.0606  -16.0886
            10  C1y C    24.1744  -16.7848
            11  N1y N    25.4278  -16.0186
            12  C1x C    25.4275  -14.7659
            13  C1y C    24.2441  -14.0697
            14  C1x C    23.0606  -14.6963
            15  C7a C    24.2441  -12.6775
            16  O7a O    25.4275  -11.9813
            17  C1y C    26.6109  -12.6775
            18  C1x C    27.7944  -12.0509
            19  C1x C    28.9779  -12.7471
            20  N4y N    20.6241  -20.1263
            21  C8x C    22.9910  -20.1263
            22  C1c C    19.6494  -21.1009
            23  C1a C    18.2571  -21.1009
            24  C1a C    20.3456  -22.3067
            25  O6a O    23.0300  -11.9897
            26  C1x C    26.6297  -14.0718
            27  C1x C    27.8118  -14.8134
            28  C1y C    28.9952  -14.1868
            29  C1a C    26.6261  -16.7937
            30  O2a O    30.1976  -14.9010
            31  C1a C    31.3937  -14.2298
            32  C6a C    33.8285  -20.7762
            33  C2b C    33.1534  -19.6115
            34  O6a O    33.2289  -22.0164
            35  O6a O    35.1791  -20.7699
            36  C2b C    31.5365  -19.6177
            37  C6a C    30.8675  -20.7885
            38  O6a O    29.5169  -20.7885
            39  O6a O    31.5490  -22.0225
BOND        42
            1     6   7 1
            2    13  15 1 #Up
            3     7   8 1
            4    15  16 1
            5     8  10 1
            6    16  17 1
            7     9   5 1
            8    17  18 1
            9     5   4 2
            10    4   1 1
            11    1   2 2
            12    2   3 1
            13    3   6 2
            14   18  19 1
            15    9  10 1
            16   10  11 1
            17   11  12 1
            18   12  13 1
            19   13  14 1
            20    3  20 1
            21   14   9 1
            22    7  21 2
            23   20  21 1
            24    5   6 1
            25   20  22 1
            26   22  23 1
            27   22  24 1
            28   15  25 2
            29   17  26 1
            30   26  27 1
            31   27  28 1
            32   28  19 1
            33   11  29 1
            34   28  30 1
            35   30  31 1
            36   32  33 1
            37   32  34 1
            38   32  35 2
            39   33  36 2
            40   36  37 1
            41   37  38 1
            42   37  39 2

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