KEGG   DRUG: Flizasertib
Entry
D12821                      Drug                                   
Name
Flizasertib (USAN/INN)
Formula
C15H14FN3O
Exact mass
271.1121
Mol weight
271.2896
Structure
Efficacy
Anti-inflammatory, Autoimmune disease treatment, Receptor interacting serine/ threonine kinase 1 inhibitor
Comment
Treatment of inflammatory and autoimmune diseases and disorders
Target
RIPK1 [HSA:8737] [KO:K02861]
  Pathway
hsa04064  NF-kappa B signaling pathway
hsa04210  Apoptosis
hsa04217  Necroptosis
hsa04620  Toll-like receptor signaling pathway
hsa04621  NOD-like receptor signaling pathway
hsa04622  RIG-I-like receptor signaling pathway
hsa04623  Cytosolic DNA-sensing pathway
hsa04668  TNF signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   TKL group
    RIPK1
     D12821  Flizasertib (USAN/INN)
Other DBs
CAS: 2268739-68-8
LinkDB
KCF data

ATOM        20
            1   C8y C    20.0200  -18.4800
            2   N4y N    20.0200  -17.0800
            3   N5x N    18.6900  -16.6600
            4   C8y C    17.8500  -17.7800
            5   N5x N    18.6900  -18.9000
            6   C1y C    21.4200  -18.9000
            7   C1x C    22.2600  -17.7800
            8   C1y C    21.4200  -16.6600
            9   C8y C    21.8400  -15.3300
            10  C8x C    23.2400  -15.0500
            11  C8x C    23.6600  -13.7200
            12  C8x C    22.6800  -12.6700
            13  C8x C    21.3500  -12.9500
            14  C8x C    20.8600  -14.2800
            15  X   F    21.8400  -20.2300
            16  C5a C    16.4500  -17.7800
            17  O5a O    15.7500  -16.5900
            18  C1y C    15.7500  -18.9700
            19  C1x C    15.6800  -20.3700
            20  C1x C    14.4900  -19.6700
BOND        23
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     1   5 2
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     2   8 1
            10    8   9 1 #Down
            11    9  10 2
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17    6  15 1 #Down
            18    4  16 1
            19   16  17 2
            20   16  18 1
            21   18  20 1
            22   20  19 1
            23   19  18 1

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