KEGG   DRUG: Selnoflast potassium
Entry
D12423                      Drug                                   
Name
Selnoflast potassium (USAN)
Formula
C20H28N3O3S. K
Exact mass
429.1488
Mol weight
429.62
Structure
Remark
Chemical structure group: DG03239
Efficacy
Anti-inflammatory
Comment
Treatment of inflammatory conditions
Target
NLRP3 [HSA:114548] [KO:K12800]
  Pathway
hsa04217  Necroptosis
hsa04621  NOD-like receptor signaling pathway
hsa04625  C-type lectin receptor signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Cytokines and receptors
  Pattern recognition receptors
   NOD-like receptors
    NLRP3
     D12423  Selnoflast potassium (USAN)
Other DBs
CAS: 2260969-37-5
PubChem: 497620836
LinkDB
KCF data

ATOM        28
            1   C8y C    22.3020  -14.9612
            2   C8y C    22.3020  -16.3595
            3   C8y C    23.4905  -17.0586
            4   C8y C    24.7489  -16.3595
            5   C8x C    24.7489  -14.9612
            6   C8y C    23.4905  -14.1922
            7   C1x C    23.7702  -18.3869
            8   C1x C    25.1684  -18.5267
            9   C1x C    25.7976  -17.2683
            10  C1x C    23.2109  -12.8639
            11  C1x C    21.8126  -12.7240
            12  C1x C    21.2533  -13.9824
            13  N1b N    21.1135  -17.0586
            14  C5a C    19.8551  -16.3595
            15  N1b N    18.6666  -17.0586 #-
            16  O5a O    19.8551  -14.9612
            17  S4a S    17.4781  -16.3595
            18  C1y C    16.2896  -17.0586
            19  C1x C    15.1010  -16.3595
            20  C1x C    13.9125  -17.0586
            21  N1y N    13.9125  -18.4568
            22  C1x C    15.1010  -19.1560
            23  C1x C    16.2896  -18.4568
            24  C1b C    12.6541  -19.1560
            25  C1a C    11.4656  -18.4568
            26  O3c O    16.7789  -15.1010
            27  O3c O    18.1772  -15.1010
            28  Z   K    18.6900  -19.3200 #+
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     3   7 1
            8     7   8 1
            9     8   9 1
            10    4   9 1
            11    6  10 1
            12   10  11 1
            13   11  12 1
            14    1  12 1
            15    2  13 1
            16   13  14 1
            17   14  15 1
            18   14  16 2
            19   15  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   18  23 1
            27   21  24 1
            28   24  25 1
            29   17  26 2
            30   17  27 2

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