KEGG   DRUG: Baricitinib
Entry
D10308                      Drug                                   

Name
Baricitinib (JAN/USAN/INN);
Olumiant (TN)
Product
Formula
C16H17N7O2S
Exact mass
371.1164
Mol weight
371.4169
Structure
Class
Immunological agent
 DG02020  JAK kinase inhibitor
Transporter substrate
 DG01665  ABCB1 substrate
 DG01913  ABCG2 substrate
 DG02860  SLC22A8 substrate
Remark
Therapeutic category: 3999
ATC code: L04AA37
Product: D10308<JP/US>
Efficacy
Anti-inflammatory, Antirheumatic, Immunosuppressant, Janus kinase (JAK) inhibitor
  Disease
Rheumatoid arthritis [DS:H00630]
Comment
Treatment of autoimmune diseases, inflammatory disease, rheumatoid arthritis
Target
JAK1 [HSA:3716] [KO:K11217]
JAK2 [HSA:3717] [KO:K04447]
  Pathway
hsa04062  Chemokine signaling pathway
hsa04380  Osteoclast differentiation
hsa04630  JAK-STAT signaling pathway
hsa05171  Coronavirus disease - COVID-19
Metabolism
Transporter: ABCB1 [HSA:5243], ABCG2 [HSA:9429], SLC22A8 [HSA:9376], SLC47A2 [HSA:146802]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L04 IMMUNOSUPPRESSANTS
   L04A IMMUNOSUPPRESSANTS
    L04AA Selective immunosuppressants
     L04AA37 Baricitinib
      D10308  Baricitinib (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Immunological Agents
  Immunological Agents, Other
   JAK Inhibitor
    Baricitinib
     D10308  Baricitinib (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D10308  Baricitinib (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    JAK1
     D10308  Baricitinib (JAN/USAN/INN) <JP/US>
    JAK2
     D10308  Baricitinib (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10308
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10308
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10308
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10308
Drug metabolizing enzymes and transporters [br08309.html]
 Drug transporters
  D10308
Other DBs
CAS: 1187594-09-7
PubChem: 163312339
ChEMBL: CHEMBL2105759
PDB-CCD: 3JW[PDBj]
LinkDB
KCF data

ATOM        26
            1   C8y C    21.8059  -18.3269
            2   C8y C    21.8059  -19.7308
            3   N5x N    20.6126  -20.4327
            4   C8x C    19.3491  -19.7308
            5   N5x N    19.3491  -18.3269
            6   C8y C    20.6126  -17.6250
            7   C8x C    23.1396  -17.9057
            8   C8x C    23.9819  -19.0288
            9   N4x N    23.1396  -20.1519
            10  C8y C    20.6126  -16.2211
            11  C8x C    19.4895  -15.3787
            12  N4y N    19.9107  -14.1152
            13  N5x N    21.3146  -14.1152
            14  C8x C    21.7357  -15.3787
            15  C1z C    18.7174  -13.4133
            16  C1x C    17.8049  -12.3604
            17  N1y N    16.7519  -13.2729
            18  C1x C    17.6645  -14.3258
            19  C1b C    19.6299  -12.3604
            20  C3b C    21.1040  -12.3604
            21  N3a N    22.5079  -12.3604
            22  S4a S    15.3481  -13.2729
            23  O3c O    15.3481  -11.8690
            24  O3c O    15.3481  -14.6768
            25  C1b C    13.9442  -13.2729
            26  C1a C    13.2422  -12.0572
BOND        29
            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 2
            13   11  12 1
            14   12  13 1
            15   13  14 2
            16   10  14 1
            17   15  12 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   15  18 1
            22   15  19 1
            23   19  20 1
            24   20  21 3
            25   17  22 1
            26   22  23 2
            27   22  24 2
            28   22  25 1
            29   25  26 1

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