KEGG   DRUG: Belnacasan
Entry
D10416                      Drug                                   
Name
Belnacasan (USAN)
Formula
C24H33ClN4O6
Exact mass
508.2089
Mol weight
508.995
Structure
Efficacy
Antiepileptic, Caspase 1 inhibitor
Comment
Treatment of epilepsy
Target
CASP1 [HSA:834] [KO:K01370]
  Pathway
hsa04621  NOD-like receptor signaling pathway
hsa04623  Cytosolic DNA-sensing pathway
hsa05014  Amyotrophic lateral sclerosis
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Cysteine peptidases
    CASP1
     D10416  Belnacasan (USAN)
Other DBs
CAS: 273404-37-8
PubChem: 172232509
ChEBI: 188567
LinkDB
KCF data

ATOM        35
            1   C1y C    24.8500  -21.3500
            2   C1y C    23.7300  -22.1900
            3   C1x C    24.1500  -23.5200
            4   C7x C    25.5500  -23.5200
            5   O7x O    25.9700  -22.1900
            6   O6a O    26.3900  -24.6400
            7   O2a O    24.8500  -19.9500
            8   C1b C    26.0400  -19.2500
            9   C1a C    27.2300  -19.9500
            10  N1b N    22.5400  -21.4900
            11  C5a C    21.3500  -22.1900
            12  C1y C    21.3500  -23.5900
            13  O5a O    20.1600  -21.4900
            14  N1y N    20.2300  -24.4300
            15  C1x C    20.6500  -25.7600
            16  C1x C    22.0500  -25.7600
            17  C1x C    22.4700  -24.4300
            18  C5a C    19.0400  -23.7300
            19  C1c C    17.8500  -24.4300
            20  O5a O    19.0400  -22.3300
            21  N1b N    16.6319  -23.7399
            22  C1d C    17.8614  -25.8300
            23  C1a C    19.0708  -26.7252
            24  C8x C    16.6462  -26.5448
            25  C1a C    17.8727  -27.2298
            26  C5a C    15.4505  -24.4350
            27  O5a O    14.2451  -23.7520
            28  C8y C    15.4619  -25.8300
            29  C8x C    14.2613  -26.5364
            30  C8y C    14.2728  -27.9363
            31  C8y C    15.4909  -28.6263
            32  C8x C    16.6916  -27.9199
            33  C1a C    19.2614  -25.8300
            34  N1a N    15.5025  -30.0296
            35  X   Cl   13.0743  -28.6415
BOND        37
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     4   6 2
            7     1   7 1 #Down
            8     7   8 1
            9     8   9 1
            10    2  10 1 #Down
            11   10  11 1
            12   12  11 1 #Down
            13   11  13 2
            14   12  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   12  17 1
            19   18  14 1
            20   18  19 1
            21   18  20 2
            22   19  21 1 #Down
            23   19  22 1
            24   22  23 1
            25   22  25 1
            26   21  26 1
            27   26  27 2
            28   26  28 1
            29   28  29 2
            30   29  30 1
            31   30  31 2
            32   31  32 1
            33   32  24 2
            34   28  24 1
            35   22  33 1
            36   31  34 1
            37   30  35 1

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