KEGG   DRUG: HydromethylthionineHelp
Entry
D11427                      Drug                                   

Name
Hydromethylthionine (USAN)
Formula
C16H19N3S
Exact mass
285.13
Mol weight
285.4072
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C05721
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
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    MAPT (TAU)
     D11427  Hydromethylthionine (USAN)
BRITE hierarchy
Other DBs
CAS: 613-11-6
PubChem: 384585404
KCF data Show

ATOM        20
            1   C8y C    17.4301  -14.7558
            2   C8y C    17.4301  -16.2100
            3   S2x S    18.6073  -16.9025
            4   C8y C    19.8538  -16.2100
            5   C8y C    19.8538  -14.7558
            6   N5x N    18.6073  -14.0634
            7   C8x C    21.1003  -16.9025
            8   C8y C    22.2775  -16.2100
            9   C8x C    22.2775  -14.7558
            10  C8x C    21.1003  -14.0634
            11  C8x C    16.2529  -14.0634
            12  C8x C    15.0064  -14.7558
            13  C8y C    15.0064  -16.2100
            14  C8x C    16.2529  -16.9025
            15  N1c N    23.4547  -16.9025
            16  C1a C    24.6319  -16.2100
            17  C1a C    23.4547  -18.2875
            18  N1c N    13.8292  -16.9025
            19  C1a C    12.6520  -16.2100
            20  C1a C    13.8292  -18.2875
BOND        22
            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

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