KEGG   DRUG: Surlorian fumarate
Entry
D13173                      Drug                                   
Name
Surlorian fumarate (USAN)
Formula
(C18H19NO3S)2. C4H4O4
Exact mass
774.2281
Mol weight
774.90
Structure
Remark
Chemical structure group: DG03360
Efficacy
Ryanodine receptor stabilizer
Comment
Treatment of cardiac and skeletal muscle genetic disorders such as Catecholaminergic Polymorphic Ventricular Tachycardia and RYR1-related myopathies. Treatment of heart failure.
Target
RYR [HSA:6261 6262 6263] [KO:K04961 K04962 K04963]
  Pathway
hsa04020  Calcium signaling pathway
hsa04024  cAMP signaling pathway
hsa04260  Cardiac muscle contraction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04371  Apelin signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Ryanodine receptors (RYR)
    RYR
     D13173  Surlorian fumarate (USAN)
Other DBs
CAS: 1467606-11-6
PubChem: 519518023
LinkDB
KCF data

ATOM        54
            1   C8x C    13.7633  -14.3223
            2   C8y C    13.7633  -15.7196
            3   C8x C    14.9510  -16.4183
            4   C8y C    16.2085  -15.7196
            5   C8y C    16.2085  -14.3223
            6   C8x C    14.9510  -13.6237
            7   S2x S    17.3264  -13.4141
            8   C1x C    18.6538  -13.7634
            9   C1x C    19.2826  -15.0210
            10  N1y N    18.6538  -16.2785
            11  C1x C    17.3264  -16.5580
            12  O2a O    12.5756  -16.4183
            13  C1a C    11.3879  -15.7196
            14  C1b C    19.4921  -17.3964
            15  C8y C    20.8894  -17.3265
            16  C8x C    21.5881  -18.5840
            17  C8x C    22.9854  -18.5840
            18  C8y C    23.6840  -17.3265
            19  C8x C    22.9854  -16.1388
            20  C8x C    21.5881  -16.1388
            21  C6a C    25.0813  -17.3265
            22  O6a O    25.7799  -18.5840
            23  O6a O    25.7799  -16.1388
            24  C6a C    30.8000  -15.8200
            25  C2b C    32.0124  -16.5200
            26  O6a O    29.5876  -16.5200
            27  O6a O    30.8000  -14.4200
            28  C2b C    33.2079  -15.8296
            29  C6a C    34.3953  -16.5151
            30  O6a O    35.5865  -15.8271
            31  O6a O    34.3955  -17.9198
            32  C8x C    13.7633  -14.3223
            33  C8y C    13.7633  -15.7196
            34  C8x C    14.9510  -16.4183
            35  C8y C    16.2085  -15.7196
            36  C8y C    16.2085  -14.3223
            37  C8x C    14.9510  -13.6237
            38  S2x S    17.3264  -13.4141
            39  C1x C    18.6538  -13.7634
            40  C1x C    19.2826  -15.0210
            41  N1y N    18.6538  -16.2785
            42  C1x C    17.3264  -16.5580
            43  C1b C    19.4921  -17.3964
            44  C8y C    20.8894  -17.3265
            45  C8x C    21.5881  -18.5840
            46  C8x C    22.9854  -18.5840
            47  C8y C    23.6840  -17.3265
            48  C8x C    22.9854  -16.1388
            49  C8x C    21.5881  -16.1388
            50  C6a C    25.0813  -17.3265
            51  O6a O    25.7799  -18.5840
            52  O6a O    25.7799  -16.1388
            53  O2a O    12.5756  -16.4183
            54  C1a C    11.3879  -15.7196
BOND        57
            1    24  25 1
            2    24  26 1
            3    24  27 2
            4    25  28 2
            5    28  29 1
            6    29  30 2
            7    29  31 1
            8     1   2 2
            9     2   3 1
            10    3   4 2
            11    4   5 1
            12    5   6 2
            13    1   6 1
            14    8   9 1
            15    9  10 1
            16    7   8 1
            17    4  11 1
            18    5   7 1
            19   10  11 1
            20    2  12 1
            21   12  13 1
            22   10  14 1
            23   14  15 1
            24   15  16 2
            25   16  17 1
            26   17  18 2
            27   18  19 1
            28   19  20 2
            29   15  20 1
            30   18  21 1
            31   21  22 1
            32   21  23 2
            33   32  33 2
            34   33  34 1
            35   34  35 2
            36   35  36 1
            37   36  37 2
            38   32  37 1
            39   39  40 1
            40   40  41 1
            41   38  39 1
            42   35  42 1
            43   36  38 1
            44   41  42 1
            45   33  53 1
            46   53  54 1
            47   41  43 1
            48   43  44 1
            49   44  45 2
            50   45  46 1
            51   46  47 2
            52   47  48 1
            53   48  49 2
            54   44  49 1
            55   47  50 1
            56   50  51 1
            57   50  52 2
BRACKET     1     9.5900  -20.4400    9.5900  -11.9700
            1    27.3700  -11.9700   27.3700  -20.4400
            1  2
 ORIGINAL  1    1   2   3   4   5   6   7   8   9  10  11  14  15  16  17  18
            1   19  20  21  22  23  12  13
 REPEAT    1   32  33  34  35  36  37  38  39  40  41  42  43  44  45  46  47
            1   48  49  50  51  52  53  54

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