KEGG   DRUG: Delgocitinib
Entry
D11046                      Drug                                   
Name
Delgocitinib (JAN/USAN/INN);
Corectim (TN);
Anzupgo (TN)
Product
ANZUPGO (LEO Pharma)
Formula
C16H18N6O
Exact mass
310.1542
Mol weight
310.35
Structure
Class
Anti-inflammatory
 DG01985  Disease modifying anti-rheumatic drug (DMARD)
  DG02020  JAK inhibitor
Dermatological agent
 DG03243  Atopic dermatitis agent
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
 DG02925  CYP3A5 substrate
Remark
Therapeutic category: 2699
ATC code: D11AH11
Product: D11046<JP/US>
Efficacy
Anti-inflammatory, Antipsoriatic, Janus kinase (JAK) inhibitor
Target
JAK1 [HSA:3716] [KO:K11217]
JAK2 [HSA:3717] [KO:K04447]
JAK3 [HSA:3718] [KO:K11218]
TYK2 [HSA:7297] [KO:K11219]
  Pathway
hsa04062  Chemokine signaling pathway
hsa04217  Necroptosis
hsa04630  JAK-STAT signaling pathway
hsa04658  Th1 and Th2 cell differentiation
hsa04659  Th17 cell differentiation
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D11 OTHER DERMATOLOGICAL PREPARATIONS
   D11A OTHER DERMATOLOGICAL PREPARATIONS
    D11AH Agents for dermatitis, excluding corticosteroids
     D11AH11 Delgocitinib
      D11046  Delgocitinib (JAN/USAN/INN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  26  Epidermides
   269  Miscellaneous
    2699  Others
     D11046  Delgocitinib (JAN/USAN/INN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   DG02020  JAK inhibitor
    D11046  Delgocitinib
 Dermatological agent
  DG03243  Atopic dermatitis agent
   D11046  Delgocitinib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D11046  Delgocitinib
  DG02925  CYP3A5 substrate
   D11046  Delgocitinib
Drug classes [BR:br08332]
 Immunological agent
  DG02020  JAK inhibitor
   D11046  Delgocitinib
 Antirheumatic agent
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   D11046  Delgocitinib
 Dermatological agent
  DG03243  Atopic dermatitis agent
   D11046  Delgocitinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    JAK1
     D11046  Delgocitinib (JAN/USAN/INN) <JP/US>
    JAK2
     D11046  Delgocitinib (JAN/USAN/INN) <JP/US>
    JAK3
     D11046  Delgocitinib (JAN/USAN/INN) <JP/US>
    TYK2
     D11046  Delgocitinib (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11046
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11046
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D11046
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11046
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11046
Other DBs
CAS: 1263774-59-9
PubChem: 363669759
ChEBI: 167600
PDB-CCD: FHX[PDBj]
LinkDB
KCF data

ATOM        23
            1   C8y C    17.0067  -13.3562
            2   C8y C    17.0067  -11.9505
            3   N5x N    18.2015  -11.2476
            4   C8x C    19.4667  -11.9505
            5   N5x N    19.4667  -13.3562
            6   C8y C    18.2015  -14.0591
            7   C8x C    15.6712  -13.7779
            8   C8x C    14.8278  -12.6533
            9   N4x N    15.6712  -11.5287
            10  N1y N    18.2015  -15.4648
            11  C1x C    19.3262  -16.3082
            12  C1x C    18.9044  -17.5734
            13  C1z C    17.4987  -17.5734
            14  C1x C    17.0769  -16.3082
            15  C1y C    16.0930  -17.7842
            16  C1x C    16.3741  -19.1900
            17  N1y N    17.7798  -18.9791
            18  C1a C    14.9425  -16.9764
            19  C5a C    18.9332  -19.7847
            20  C1b C    20.1445  -19.0902
            21  O5a O    18.9282  -21.1579
            22  C3b C    21.2664  -19.7833
            23  N3a N    22.4807  -20.4844
BOND        26
            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     1   7 1
            8     7   8 2
            9     8   9 1
            10    2   9 1
            11    6  10 1
            12   10  11 1
            13   11  12 1
            14   13  12 1 #Up
            15   13  14 1 #Down
            16   10  14 1
            17   13  15 1
            18   15  16 1
            19   16  17 1
            20   17  13 1
            21   15  18 1
            22   17  19 1
            23   19  20 1
            24   19  21 2
            25   20  22 1
            26   22  23 3

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