KEGG   DRUG: Hydromethylthionine mesylate
Entry
D11384                      Drug                                   
Name
Hydromethylthionine mesylate (USAN)
Formula
C16H19N3S. (CH4SO3)2
Exact mass
477.1062
Mol weight
477.63
Structure
Remark
Chemical structure group: DG03014
Efficacy
Tau protein inhibitor
Comment
Treatment of Alzheimer's disease (AD)
Target
MAPT (TAU) [HSA:4137] [KO:K04380]
  Pathway
hsa04010  MAPK signaling pathway
hsa05010  Alzheimer disease
hsa05022  Pathways of neurodegeneration - multiple diseases
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    MAPT (TAU)
     D11384  Hydromethylthionine mesylate (USAN)
Other DBs
CAS: 1236208-20-0
PubChem: 384585362
LinkDB
KCF data

ATOM        30
            1   C8y C    17.4592  -14.6621
            2   C8y C    17.4592  -16.0651
            3   S2x S    18.6518  -16.7667
            4   C8y C    19.9145  -16.0651
            5   C8y C    19.9145  -14.6621
            6   N5x N    18.6518  -13.9605
            7   C8x C    21.1071  -16.7667
            8   C8y C    22.2997  -16.0651
            9   C8x C    22.2997  -14.6621
            10  C8x C    21.1071  -13.9605
            11  C8x C    16.2666  -13.9605
            12  C8x C    15.0038  -14.6621
            13  C8y C    15.0038  -16.0651
            14  C8x C    16.2666  -16.7667
            15  N1c N    23.4923  -16.7667
            16  C1a C    24.6849  -16.0651
            17  C1a C    23.4923  -18.1697
            18  N1c N    13.8112  -16.7667
            19  C1a C    12.6186  -16.0651
            20  C1a C    13.8112  -18.1697
            21  S4a S    30.1700  -16.7300
            22  C1a C    28.7700  -16.7300
            23  O1d O    31.5700  -16.7300
            24  O1d O    30.1700  -15.3300
            25  O1d O    30.1700  -18.1300
            26  S4a S    30.1700  -16.7300
            27  C1a C    28.7700  -16.7300
            28  O1d O    31.5700  -16.7300
            29  O1d O    30.1700  -15.3300
            30  O1d O    30.1700  -18.1300
BOND        30
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    1  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    2  14 1
            17    8  15 1
            18   15  16 1
            19   15  17 1
            20   13  18 1
            21   18  19 1
            22   18  20 1
            23   21  22 1
            24   21  23 1
            25   21  24 2
            26   21  25 2
            27   26  27 1
            28   26  28 1
            29   26  29 2
            30   26  30 2
BRACKET     1    27.0900  -19.0400   27.0900  -14.2100
            1    32.7600  -14.2100   32.7600  -19.0400
            1  2
 ORIGINAL  1   21  22  23  24  25
 REPEAT    1   26  27  28  29  30

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