KEGG   DRUG: Ocadusertib
Entry
D12846                      Drug                                   
Name
Ocadusertib (USAN)
Formula
C25H25N5O4
Exact mass
459.1907
Mol weight
459.50
Structure
Efficacy
Autoimmune disease treatment
Comment
Treatment of autoimmune and inflammatory diseases, such as, psoriasis, rheumatoid arthritis or inflammatory bowel diseases
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
     D12846  Ocadusertib (USAN)
Other DBs
CAS: 2382811-41-6
PubChem: 497621259
LinkDB
KCF data

ATOM        34
            1   C8x C    11.9000  -12.8100
            2   C8y C    11.9000  -14.2100
            3   C8x C    13.0900  -14.9100
            4   C8y C    14.3500  -14.2100
            5   C8y C    14.3500  -12.8100
            6   C8x C    13.0900  -12.1100
            7   O2x O    15.4700  -11.9000
            8   C1x C    16.8000  -12.2500
            9   C1y C    17.4300  -13.5100
            10  C5x C    16.8000  -14.7700
            11  N1y N    15.4700  -15.0500
            12  O5x O    17.6400  -15.8900
            13  N1b N    18.8300  -13.5100
            14  C5a C    19.5300  -12.3200
            15  O5a O    18.8300  -11.1300
            16  C3b C    10.7100  -14.9100
            17  C3b C     9.4500  -15.6100
            18  C1d C     8.2600  -16.3100
            19  O1a O     7.0700  -17.0100
            20  C1a C     8.9600  -17.5000
            21  C1a C     7.5600  -15.1200
            22  C1a C    15.1900  -16.4500
            23  C8y C    20.9300  -12.3200
            24  N4x N    21.7700  -13.4400
            25  C8y C    23.1000  -13.0200
            26  N5x N    23.1000  -11.6200
            27  N5x N    21.7700  -11.2000
            28  C1b C    24.2900  -13.7200
            29  C8y C    25.4800  -13.0200
            30  C8x C    26.6700  -13.7200
            31  C8x C    27.9300  -13.0200
            32  C8x C    27.9300  -11.6200
            33  C8x C    26.7400  -10.8500
            34  C8x C    25.4800  -11.6200
BOND        37
            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   10  12 2
            14    9  13 1 #Down
            15   13  14 1
            16   14  15 2
            17    2  16 1
            18   16  17 3
            19   17  18 1
            20   18  19 1
            21   18  20 1
            22   18  21 1
            23   11  22 1
            24   14  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 2
            28   26  27 1
            29   23  27 2
            30   28  25 1
            31   28  29 1
            32   29  30 2
            33   30  31 1
            34   31  32 2
            35   32  33 1
            36   33  34 2
            37   29  34 1

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