KEGG   DRUG: Deucravacitinib
Entry
D11817                      Drug                                   

Name
Deucravacitinib (USAN)
Formula
C20H22N8O3
Exact mass
425.2003
Mol weight
422.4405
Structure
Efficacy
Anti-inflammatory, Tyrosine kinase 2 inhibitor
Comment
Treatment of inflammatory conditions
Target
TYK2 [HSA:7297] [KO:K11219]
  Pathway
hsa04217  Necroptosis
hsa04380  Osteoclast differentiation
hsa04621  NOD-like receptor signaling pathway
hsa04630  JAK-STAT signaling pathway
hsa04658  Th1 and Th2 cell differentiation
hsa04659  Th17 cell differentiation
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    TYK2
     D11817  Deucravacitinib (USAN)
Other DBs
PubChem: 405226682
LinkDB
KCF data

ATOM        31
            1   N5x N     9.2400  -14.2100
            2   N5x N     9.2400  -15.6100
            3   C8y C    10.4300  -16.3100
            4   C8x C    11.6900  -15.6100
            5   C8y C    11.6900  -14.2100
            6   C8y C    10.4300  -13.5100
            7   C5a C    10.4300  -12.1100
            8   N1b N     9.2400  -11.4100
            9   O5a O    11.6200  -11.4100
            10  C1a C     8.0500  -12.1100
            11  N1b N    12.8800  -13.5100
            12  C8y C    14.0700  -14.2100
            13  N1b N    10.4300  -17.7100
            14  C5a C     9.2400  -18.4100
            15  C1y C     8.0500  -17.7100
            16  O5a O     9.2400  -19.8100
            17  C1x C     6.6500  -17.7100
            18  C1x C     7.3500  -16.5200
            19  C8x C    14.0586  -15.6100
            20  C8x C    15.2653  -16.3198
            21  C8x C    16.5534  -15.6297
            22  C8y C    16.4948  -14.2297
            23  C8y C    15.2881  -13.5199
            24  C8y C    17.7225  -13.4931
            25  O2a O    15.2297  -12.1106
            26  C1a C    16.4339  -11.3471
            27  N5x N    18.8626  -14.3047
            28  N4y N    19.9828  -13.4734
            29  C8x C    19.5384  -12.1511
            30  N5x N    18.1435  -12.1652
            31  C1a C    21.2792  -13.8795
BOND        34
            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     6   7 1
            8     7   8 1
            9     7   9 2
            10    8  10 1
            11    5  11 1
            12   11  12 1
            13    3  13 1
            14   13  14 1
            15   14  15 1
            16   14  16 2
            17   17  15 1
            18   15  18 1
            19   18  17 1
            20   12  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   12  23 1
            26   22  24 1
            27   23  25 1
            28   25  26 1
            29   24  27 2
            30   27  28 1
            31   28  29 1
            32   29  30 2
            33   24  30 1
            34   28  31 1

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