KEGG   DRUG: Simufilam hydrochloride
Entry
D12004                      Drug                                   
Name
Simufilam hydrochloride (USAN)
Formula
C15H21N3O. 2HCl. H2O
Exact mass
349.1324
Mol weight
350.28
Structure
Remark
Chemical structure group: DG03149
Efficacy
Dementia therapeutic agent, Antineuroinflammation
Target
FLNA [HSA:2316] [KO:K04437]
Brite
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Cellular process
   Cytoskeleton
    FLNA
     D12004  Simufilam hydrochloride (USAN)
Other DBs
CAS: 2375909-85-4
PubChem: 497620417
LinkDB
KCF data

ATOM        22
            1   C1b C    20.1576  -16.8680
            2   N1y N    18.9678  -17.5679
            3   C1z C    17.6379  -17.2180
            4   N1x N    16.7980  -18.2679
            5   C1x C    17.5679  -19.4577
            6   C5x C    18.9678  -18.9678
            7   O5x O    20.0177  -19.8077
            8   C1x C    18.6178  -16.1681
            9   C1x C    18.1979  -14.8383
            10  N1y N    16.7980  -14.4883
            11  C1x C    15.8881  -15.5382
            12  C1x C    16.3081  -16.8680
            13  C1a C    16.3781  -13.1585
            14  C8y C    20.1576  -15.4682
            15  C8x C    21.3475  -14.7683
            16  C8x C    21.3475  -13.2984
            17  C8x C    20.1576  -12.5985
            18  C8x C    18.9678  -13.2984
            19  C8x C    18.9678  -14.6983
            20  X   Cl   23.8000  -16.3100
            21  X   Cl   23.8000  -17.7800
            22  O0  O    24.2200  -19.8800
BOND        21
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     2   6 1
            7     6   7 2
            8     3   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    3  12 1
            14   10  13 1
            15    1  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   14  19 1

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