KEGG   DRUG: Deuruxolitinib phosphate
Entry
D11867                      Drug                                   
Name
Deuruxolitinib phosphate (USAN);
Leqselvi (TN)
Product
LEQSELVI (Sun Pharmaceutical Industries)
Formula
C17H18N6. H3PO4
Exact mass
412.1864
Mol weight
404.36
Structure
Class
Anti-inflammatory
 DG01985  Disease modifying anti-rheumatic drug (DMARD)
  DG02020  JAK inhibitor
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG01642  CYP2C9 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Chemical structure group: DG03114
Product (DG03114): D11867<US>
Efficacy
Hair regrowing agent, Janus kinase (JAK) inhibitor
  Disease
alopecia areata [DS:H01158]
Comment
Treatment of alopecia areata
Target
JAK1 [HSA:3716] [KO:K11217]
JAK2 [HSA:3717] [KO:K04447]
TYK2 [HSA:7297] [KO:K11219]
  Pathway
hsa04217  Necroptosis
hsa04630  JAK-STAT signaling pathway
hsa04658  Th1 and Th2 cell differentiation
hsa04659  Th17 cell differentiation
Metabolism
Enzyme: CYP2C9 [HSA:1559]; CYP3A4 [HSA:1576], CYP1A2 [HSA:1544]
Interaction
Brite
USP drug classification [BR:br08302]
 Immunological Agents
  Immunological Agents, Other
   JAK Inhibitors
    Deuruxolitinib
     D11867  Deuruxolitinib phosphate (USAN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   DG02020  JAK inhibitor
    DG03114  Deuruxolitinib
     D11867  Deuruxolitinib phosphate
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG03114  Deuruxolitinib
    D11867  Deuruxolitinib phosphate
  DG01642  CYP2C9 substrate
   DG03114  Deuruxolitinib
    D11867  Deuruxolitinib phosphate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG03114  Deuruxolitinib
     D11867  Deuruxolitinib phosphate
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    JAK1
     D11867  Deuruxolitinib phosphate (USAN) <US>
    JAK2
     D11867  Deuruxolitinib phosphate (USAN) <US>
    TYK2
     D11867  Deuruxolitinib phosphate (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11867
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11867
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11867
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   DG02020  JAK inhibitor
    DG03114  Deuruxolitinib
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG03114  Deuruxolitinib
  DG01642  CYP2C9 substrate
   DG03114  Deuruxolitinib
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG03114  Deuruxolitinib
Other DBs
CAS: 2147706-60-1
PubChem: 433774542
LinkDB
KCF data

ATOM        28
            1   C8x C    15.5506  -11.5579
            2   N5x N    15.5506  -12.9589
            3   C8y C    16.7415  -13.6594
            4   C8y C    18.0023  -12.9589
            5   C8y C    18.0023  -11.5579
            6   N5x N    16.7415  -10.8574
            7   C8x C    19.3332  -13.3792
            8   C8x C    20.1038  -12.2584
            9   N4x N    19.3332  -11.1376
            10  C8y C    16.7415  -15.0603
            11  C8x C    15.6207  -15.9009
            12  N4y N    16.0410  -17.2318
            13  N5x N    17.4419  -17.2318
            14  C8x C    17.9323  -15.9009
            15  C1b C    13.6594  -17.2318
            16  C1c C    14.8502  -17.9323
            17  C1y C    14.8502  -19.3332
            18  C3b C    13.6594  -15.8308
            19  N3a N    13.6594  -14.4299
            20  C1x C    13.7294  -20.1738
            21  C1x C    14.1497  -21.5047
            22  C1x C    15.5506  -21.5047
            23  C1x C    15.9709  -20.1738
            24  O1c O    20.8743  -16.6714
            25  P1b P    22.2752  -16.6714
            26  O1c O    23.6762  -16.6714
            27  O1c O    22.2752  -15.2705
            28  O1c O    22.2752  -18.0724
BOND        30
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 1
            11    3  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 1
            15   13  14 2
            16   10  14 1
            17   15  16 1
            18   16  12 1
            19   16  17 1 #Up
            20   15  18 1
            21   18  19 3
            22   17  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   17  23 1
            27   24  25 1
            28   25  26 1
            29   25  27 2
            30   25  28 1

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