KEGG   DRUG: Deucravacitinib
Entry
D11817                      Drug                                   
Name
Deucravacitinib (JAN/USAN);
Sotyktu (TN)
Product
SOTYKTU (E.R. Squibb & Sons)
Formula
C20H22N8O3
Exact mass
425.2003
Mol weight
422.4405
Structure
Class
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG02919  CYP2B6 substrate
 DG01644  CYP2D6 substrate
 DG02970  CES substrate
  DG03192  CES2 substrate
 DG02924  UGT substrate
  DG03188  UGT1A9 substrate
Remark
Therapeutic category: 3999
ATC code: L04AF07
Product: D11817<JP/US>
Efficacy
Anti-inflammatory, Tyrosine kinase 2 inhibitor
  Disease
Plaque psoriasis [DS:H01656]
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
Metabolism
Enzyme: CYP1A2 [HSA:1544]; CYP2B6 [HSA:1555], CYP2D6 [HSA:1565], CES2 [HSA:8824], UGT1A9 [HSA:54600]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L04 IMMUNOSUPPRESSANTS
   L04A IMMUNOSUPPRESSANTS
    L04AF Janus-associated kinase (JAK) inhibitors
     L04AF07 Deucravacitinib
      D11817  Deucravacitinib (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Immunological Agents
  Immunological Agents, Other
   Tyrosine Kinase 2 Inhibitor
    Deucravacitinib
     D11817  Deucravacitinib (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D11817  Deucravacitinib (JAN/USAN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   D11817  Deucravacitinib
  DG02919  CYP2B6 substrate
   D11817  Deucravacitinib
  DG01644  CYP2D6 substrate
   D11817  Deucravacitinib
  DG02970  CES substrate
   DG03192  CES2 substrate
    D11817  Deucravacitinib
  DG02924  UGT substrate
   DG03188  UGT1A9 substrate
    D11817  Deucravacitinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    TYK2
     D11817  Deucravacitinib (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11817
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11817
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D11817
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11817
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11817
Other DBs
CAS: 1609392-27-9
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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