KEGG   DRUG: Dasolampanel etibutil
Entry
D10108                      Drug                                   
Name
Dasolampanel etibutil (USAN)
Formula
C23H32ClN5O3
Exact mass
461.2194
Mol weight
461.9849
Structure
Simcomp
Efficacy
Pain relief, AMPA receptor antagonist, Kainate receptor antagonist
Comment
Treatment of chronic pain
Target
GRIA [HSA:2890 2891 2892 2893] [KO:K05197 K05198 K05199 K05200]
GRIK [HSA:2897 2898 2899 2900 2901] [KO:K05201 K05202 K05203 K05204 K05205]
  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
     D10108  Dasolampanel etibutil (USAN)
    GRIK
     D10108  Dasolampanel etibutil (USAN)
Other DBs
CAS: 503291-52-9
PubChem: 135626826
LigandBox: D10108
KCF data

ATOM        32
            1   C1y C    20.3000  -21.8400
            2   N1x N    20.3000  -23.2400
            3   C1x C    21.4900  -23.9400
            4   C1y C    22.6800  -23.2400
            5   C1y C    22.6800  -21.8400
            6   C1x C    21.4900  -21.1400
            7   C1x C    23.9400  -23.9400
            8   C1x C    25.1300  -23.2400
            9   C1y C    25.1300  -21.8400
            10  C1x C    23.9400  -21.1400
            11  C7a C    19.0400  -21.1400
            12  O2a O    26.3200  -21.1400
            13  O7a O    17.8500  -21.7700
            14  O6a O    19.0400  -19.7400
            15  C8y C    27.5100  -21.8400
            16  C8x C    27.5100  -23.2400
            17  C8x C    28.7700  -23.9400
            18  C8x C    29.9600  -23.2400
            19  C8y C    29.9600  -21.8400
            20  C8y C    28.7700  -21.1400
            21  C8y C    28.7700  -19.7400
            22  X   Cl   31.1500  -21.1400
            23  N5x N    27.6500  -18.9700
            24  N4x N    29.9600  -18.9700
            25  N5x N    29.5400  -17.6400
            26  N5x N    28.0700  -17.6400
            27  C1b C    16.6641  -21.0260
            28  C1c C    15.4345  -21.6768
            29  C1b C    14.2350  -20.9236
            30  C1a C    12.9753  -21.5899
            31  C1b C    15.3824  -23.0999
            32  C1a C    14.1590  -23.7479
BOND        35
            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

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Ontology (1)   
   KEGG BRITE (1)   
Drug (1)   
   LigandBox (1)   
Chemical substance (1)   
   PubChem (1)   
Gene (18)   
   KEGG ORTHOLOGY (9)   
   KEGG GENES (9)   
All databases (21)   

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