KEGG   DRUG: Envudeucitinib hydrochloride
Entry
D13124                      Drug                                   
Name
Envudeucitinib hydrochloride (USAN)
Formula
C22H24N6O3. HCl
Exact mass
462.2053
Mol weight
456.92
Structure
Remark
Chemical structure group: DG03351
Efficacy
Anti-inflammatory, Tyrosine kinase 2 inhibitor
Comment
Treatment of psoriasis and other immune-mediated inflammatory diseases
Target
TYK2 [HSA:7297] [KO:K11219]
  Pathway
hsa04217  Necroptosis
hsa04620  Toll-like receptor signaling pathway
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
     D13124  Envudeucitinib hydrochloride (USAN)
Other DBs
CAS: 3009133-87-0
PubChem: 513757661
LinkDB
KCF data

ATOM        32
            1   C8x C    13.1858  -14.9335
            2   N5x N    13.1858  -16.3353
            3   C8y C    14.3774  -17.0363
            4   C8x C    15.5690  -16.3353
            5   C8y C    15.5690  -14.9335
            6   C8y C    14.3774  -14.2325
            7   C5a C    14.3774  -12.8306
            8   C1b C    13.1858  -12.1297
            9   O5a O    15.4989  -12.1297
            10  C1a C    11.9942  -12.8306
            11  N1b N    14.3774  -18.4382
            12  C5a C    13.1858  -19.0690
            13  C1y C    11.9942  -18.4382
            14  O5a O    13.1858  -20.4709
            15  C1x C    11.2933  -17.1765
            16  C1x C    10.5222  -18.4382
            17  N1b N    16.8307  -14.1624
            18  C8y C    18.0924  -14.8634
            19  C8x C    18.0924  -16.3353
            20  C8x C    19.2840  -16.9662
            21  C8x C    20.5457  -16.2653
            22  C8y C    20.5457  -14.8634
            23  C8y C    19.2840  -14.1624
            24  O2a O    19.2840  -12.8306
            25  C8y C    21.7373  -14.1624
            26  N5x N    22.1579  -12.8306
            27  C8x C    23.5598  -12.8306
            28  N4y N    23.9803  -14.1624
            29  N5x N    22.8588  -14.9335
            30  C1a C    25.3121  -14.5830
            31  C1a C    20.4756  -12.1297
            32  X   Cl   25.1300  -19.9500
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    3  11 1
            12   11  12 1
            13   13  12 1
            14   12  14 2
            15   16  15 1
            16   15  13 1
            17   13  16 1
            18    5  17 1
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   23  24 1
            27   22  25 1
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 1
            32   25  29 2
            33   28  30 1
            34   24  31 1

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