KEGG   DRUG: Resiquimod sulfate
Entry
D13051                      Drug                                   
Name
Resiquimod sulfate (USAN)
Formula
C17H22N4O2. H2SO4
Exact mass
412.1417
Mol weight
412.46
Structure
Efficacy
Antineoplastic, Toll-like receptor agonist
Target
TLR7 [HSA:51284] [KO:K05404]
TLR8 (CD288) [HSA:51311] [KO:K10170]
  Pathway
hsa04620  Toll-like receptor signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Cytokines and receptors
  Pattern recognition receptors
   Toll-like receptors
    TLR7
     D13051  Resiquimod sulfate (USAN)
    TLR8 (CD288)
     D13051  Resiquimod sulfate (USAN)
Other DBs
CAS: 2762439-40-5
PubChem: 505917324
LinkDB
KCF data

ATOM        28
            1   C8y C    22.2600  -16.8700
            2   C8y C    22.2600  -15.4700
            3   N4y N    20.9300  -17.2900
            4   C8y C    23.5200  -17.5700
            5   N5x N    20.9300  -15.0500
            6   C8y C    23.5200  -14.7700
            7   C8y C    20.1600  -16.1700
            8   C1b C    20.9300  -18.9000
            9   C8y C    24.7100  -16.8700
            10  N5x N    24.7100  -15.4700
            11  N1a N    23.5200  -13.3700
            12  C1d C    19.8100  -19.6000
            13  C8x C    23.5200  -18.9000
            14  C8x C    25.9000  -17.5700
            15  C8x C    25.9000  -18.9700
            16  C8x C    24.7800  -19.6700
            17  O1a O    18.6200  -20.3000
            18  C1a C    20.5100  -20.7900
            19  C1a C    19.1100  -18.4100
            20  C1b C    18.7600  -16.1700
            21  O2a O    18.0600  -14.9800
            22  C1b C    16.6600  -14.9800
            23  C1a C    15.9600  -13.7900
            24  S4a S    28.9800  -16.6600
            25  O1d O    28.9800  -15.2600
            26  O1d O    28.9800  -18.0600
            27  O1d O    27.5800  -16.6600
            28  O1d O    30.3800  -16.6600
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     6  10 1
            10    6  11 1
            11    8  12 1
            12    5   7 2
            13    9  10 2
            14    4  13 1
            15    9  14 1
            16   14  15 2
            17   15  16 1
            18   16  13 2
            19   12  17 1
            20   12  18 1
            21   12  19 1
            22    7  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   24  25 2
            27   24  26 2
            28   24  27 1
            29   24  28 1

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