KEGG   DRUG: Abrocitinib
Entry
D11400                      Drug                                   
Name
Abrocitinib (JAN/USAN);
Cibinqo (TN)
Product
Formula
C14H21N5O2S
Exact mass
323.1416
Mol weight
323.4138
Structure
Class
Anti-inflammatory
 DG01985  Disease modifying anti-rheumatic drug (DMARD)
  DG02020  JAK inhibitor
Dermatological agent
 DG03243  Atopic dermatitis agent
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
 DG01639  CYP2C19 substrate
Remark
Therapeutic category: 4490
ATC code: D11AH08
Product: D11400<JP/US>
Efficacy
Anti-inflammatory, Janus kinase (JAK) inhibitor
  Disease
Atopic dermatitis [DS:H01358]
Comment
Treatment of atopic dermatitis
Target
JAK1 [HSA:3716] [KO:K11217]
  Pathway
hsa04630  JAK-STAT signaling pathway
hsa04658  Th1 and Th2 cell differentiation
Metabolism
Enzyme: CYP2C19 [HSA:1557], CYP2C9 [HSA:1559]
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
     D11AH08 Abrocitinib
      D11400  Abrocitinib (JAN/USAN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  44  Allergic agents
   449  Miscellaneous
    4490  Miscellaneous
     D11400  Abrocitinib (JAN/USAN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   DG02020  JAK inhibitor
    D11400  Abrocitinib
 Dermatological agent
  DG03243  Atopic dermatitis agent
   D11400  Abrocitinib
 Metabolizing enzyme substrate
  DG01642  CYP2C9 substrate
   D11400  Abrocitinib
  DG01639  CYP2C19 substrate
   D11400  Abrocitinib
Drug classes [BR:br08332]
 Immunological agent
  DG02020  JAK inhibitor
   D11400  Abrocitinib
 Antirheumatic agent
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   D11400  Abrocitinib
 Dermatological agent
  DG03243  Atopic dermatitis agent
   D11400  Abrocitinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    JAK1
     D11400  Abrocitinib (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11400
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D11400
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D11400
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11400
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11400
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D11400
Other DBs
CAS: 1622902-68-4
PubChem: 384585378
PDB-CCD: D7D[PDBj]
LinkDB
KCF data

ATOM        22
            1   C8y C    12.9500  -16.9400
            2   C8y C    12.9500  -18.3400
            3   N5x N    11.7600  -19.0400
            4   C8x C    10.5000  -18.3400
            5   N5x N    10.5000  -16.9400
            6   C8y C    11.7600  -16.2400
            7   N4x N    14.2815  -18.7726
            8   C8x C    15.1044  -17.6400
            9   C8x C    14.2815  -16.5074
            10  N1c N    11.7772  -14.8401
            11  C1a C    12.9851  -14.1624
            12  C1y C    10.5608  -14.1176
            13  C1x C    10.2211  -12.7842
            14  C1y C     8.8877  -13.1238
            15  C1x C     9.2273  -14.4573
            16  N1b N     7.6710  -12.4015
            17  S4a S     6.4772  -13.0717
            18  C1b C     5.3056  -12.3762
            19  O3c O     5.7772  -14.2841
            20  O3c O     7.1772  -14.2841
            21  C1b C     4.0900  -13.0587
            22  C1a C     2.8784  -12.3392
BOND        24
            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     2   7 1
            8     7   8 1
            9     8   9 2
            10    1   9 1
            11    6  10 1
            12   10  11 1
            13   12  10 1 #Up
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   12  15 1
            18   14  16 1 #Up
            19   16  17 1
            20   17  18 1
            21   17  19 2
            22   17  20 2
            23   18  21 1
            24   21  22 1

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