KEGG   DRUG: Darigabat
Entry
D12146                      Drug                                   

Name
Darigabat (USAN)
Formula
C22H21FN4O3S
Exact mass
440.1318
Mol weight
440.4905
Structure
Efficacy
Antiepileptic, GABA-A receptor allosteric modulator
Comment
Treatment of epilepsy
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04727  GABAergic synapse
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   GABA (ionotropic)
    GABR
     D12146  Darigabat (USAN)
Other DBs
CAS: 1614245-70-3
ChEMBL: CHEMBL3647536
LinkDB
KCF data

ATOM        31
            1   N5x N    13.8600  -12.6700
            2   C8x C    13.8600  -14.0700
            3   C8y C    15.0724  -14.7700
            4   C8y C    16.2849  -14.0700
            5   C8y C    16.2849  -12.6700
            6   N5x N    15.0724  -11.9700
            7   N5x N    17.6164  -14.5026
            8   C8x C    18.4393  -13.3700
            9   N4y N    17.6164  -12.2374
            10  C1b C    18.0475  -10.9106
            11  C1a C    19.4269  -10.6174
            12  C8y C    15.0724  -16.1698
            13  C8x C    13.8432  -16.8797
            14  C8y C    13.8434  -18.2797
            15  C8y C    15.0559  -18.9796
            16  C8x C    16.2851  -18.2697
            17  C8x C    16.2849  -16.8697
            18  C8y C    12.6477  -18.9702
            19  C8x C    11.4519  -18.2798
            20  C8x C    10.2395  -18.9798
            21  C8y C    10.2395  -20.3798
            22  C8x C    11.4352  -21.0702
            23  C8y C    12.6477  -20.3702
            24  X   F    15.0560  -20.3700
            25  O2a O    13.8766  -21.0799
            26  C1a C    13.8766  -22.4799
            27  S4a S     9.0169  -21.0859
            28  C1b C     7.8044  -21.7859
            29  C1a C     6.5593  -21.0669
            30  O3c O     8.3169  -19.8734
            31  O3c O     9.7169  -22.2983
BOND        34
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    9  10 1
            12   10  11 1
            13    3  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20   14  18 1
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   18  23 1
            27   15  24 1
            28   23  25 1
            29   25  26 1
            30   21  27 1
            31   27  28 1
            32   28  29 1
            33   27  30 2
            34   27  31 2

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