KEGG   DRUG: Eclitasertib
Entry
D12352                      Drug                                   
Name
Eclitasertib (USAN/INN)
Formula
C19H18N6O3
Exact mass
378.1440
Mol weight
378.38
Structure
Efficacy
Antiviral, Autoimmune disease treatment
Comment
Treatment of COVID-19 and cutaneous lupus erythematosus
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
     D12352  Eclitasertib (USAN/INN)
Other DBs
CAS: 2125450-76-0
PubChem: 497620765
LinkDB
KCF data

ATOM        28
            1   C8x C     6.7200  -13.3700
            2   C8x C     6.7200  -14.7700
            3   N5x N     7.9100  -15.4700
            4   C8y C     9.1700  -14.7700
            5   C8y C     9.1700  -13.3700
            6   C8x C     7.9100  -12.6700
            7   O2x O    10.2900  -12.4600
            8   C1x C    11.6200  -12.8100
            9   C1y C    12.2500  -14.0700
            10  C5x C    11.6200  -15.3300
            11  N1y N    10.2900  -15.6100
            12  C1a C    10.0100  -17.0100
            13  O5x O    12.4600  -16.4500
            14  N1b N    13.6500  -14.0700
            15  C5a C    14.3500  -12.8800
            16  C8y C    15.7500  -12.8800
            17  N5x N    16.5900  -14.0000
            18  C8y C    17.9200  -13.5800
            19  N5x N    17.9200  -12.1800
            20  N4x N    16.5900  -11.6900
            21  O5a O    13.6500  -11.6900
            22  C1b C    19.1100  -14.2800
            23  C8y C    20.3000  -13.5800
            24  C8x C    21.5181  -14.2701
            25  C8x C    22.7248  -13.5603
            26  C8x C    22.7834  -12.1603
            27  C8x C    21.4953  -11.4702
            28  C8x C    20.2886  -12.1800
BOND        31
            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     8   9 1
            8     9  10 1
            9     7   8 1
            10    4  11 1
            11    5   7 1
            12   10  11 1
            13   11  12 1
            14   10  13 2
            15    9  14 1 #Down
            16   14  15 1
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   16  20 1
            23   15  21 2
            24   18  22 1
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   23  28 1

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