KEGG   DRUG: Dasolampanel etibutil tosylateHelp
Entry
D10109                      Drug                                   

Name
Dasolampanel etibutil tosylate (USAN)
Formula
C23H32ClN5O3. C7H8O3S
Exact mass
633.2388
Mol weight
634.1865
Structure
Mol fileKCF fileDB search
Efficacy
Pain relief, AMPA receptor antagonist, Kainate receptor antagonist
Comment
Treatment of chronic pain
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04724  Glutamatergic synapse
hsa04728  Dopaminergic synapse
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Glutamate (ionotropic), non-NMDA
    GRIA
     D10109  Dasolampanel etibutil tosylate (USAN)
    GRIK
     D10109  Dasolampanel etibutil tosylate (USAN)
BRITE hierarchy
Other DBs
CAS: 503291-53-0
PubChem: 135626827
ChEMBL: CHEMBL2107327
LigandBox: D10109
KCF data Show

ATOM        43
            1   C1y C    22.7500  -21.8400
            2   N1x N    22.7500  -23.2400
            3   C1x C    23.9400  -23.9400
            4   C1y C    25.1300  -23.2400
            5   C1y C    25.1300  -21.8400
            6   C1x C    23.9400  -21.1400
            7   C1x C    26.3900  -23.9400
            8   C1x C    27.5800  -23.2400
            9   C1y C    27.5800  -21.8400
            10  C1x C    26.3900  -21.1400
            11  C7a C    21.4900  -21.1400
            12  O2a O    28.7700  -21.1400
            13  O7a O    20.3000  -21.7700
            14  O6a O    21.4900  -19.7400
            15  C8y C    29.9600  -21.8400
            16  C8x C    29.9600  -23.2400
            17  C8x C    31.2200  -23.9400
            18  C8x C    32.4100  -23.2400
            19  C8y C    32.4100  -21.8400
            20  C8y C    31.2200  -21.1400
            21  C8y C    31.2200  -19.7400
            22  X   Cl   33.6000  -21.1400
            23  N5x N    30.1000  -18.9700
            24  N4x N    32.4100  -18.9700
            25  N5x N    31.9900  -17.6400
            26  N5x N    30.5200  -17.6400
            27  C1b C    19.1100  -21.0000
            28  C1c C    17.8500  -21.7000
            29  C1b C    16.6600  -20.9300
            30  C1a C    15.4000  -21.5600
            31  C1b C    17.8500  -23.1000
            32  C1a C    16.5900  -23.7300
            33  C8x C    35.9100  -21.0000
            34  C8x C    35.9100  -22.4000
            35  C8y C    37.1224  -23.1000
            36  C8x C    38.3349  -22.4000
            37  C8x C    38.3349  -21.0000
            38  C8y C    37.1224  -20.3000
            39  S4a S    37.1224  -18.9002
            40  C1a C    37.1224  -24.4998
            41  O1d O    38.5224  -18.9002
            42  O1d O    35.7224  -18.9002
            43  O1d O    37.1224  -17.5002
BOND        46
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    1  11 1 #Down
            13    9  12 1 #Up
            14   11  13 1
            15   11  14 2
            16   12  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   20  21 1
            24   19  22 1
            25   23  21 2
            26   21  24 1
            27   24  25 1
            28   25  26 2
            29   23  26 1
            30   13  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   28  31 1
            35   31  32 1
            36   33  34 2
            37   34  35 1
            38   35  36 2
            39   36  37 1
            40   37  38 2
            41   33  38 1
            42   38  39 1
            43   35  40 1
            44   39  41 2
            45   39  42 2
            46   39  43 1

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