KEGG   DRUG: Ivarmacitinib sulfate
Entry
D12212                      Drug                                   
Name
Ivarmacitinib sulfate (USAN)
Formula
C18H22N8O2S. H2SO4
Exact mass
512.1260
Mol weight
512.57
Structure
Class
Anti-inflammatory
 DG01985  Disease modifying anti-rheumatic drug (DMARD)
  DG02020  JAK inhibitor
Remark
Chemical structure group: DG03175
Efficacy
Anti-inflammatory disease, Autoimmune disease treatment
Target
JAK1 [HSA:3716] [KO:K11217]
  Pathway
hsa04630  JAK-STAT signaling pathway
hsa04658  Th1 and Th2 cell differentiation
hsa04659  Th17 cell differentiation
Interaction
Brite
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   DG02020  JAK inhibitor
    DG03175  Ivarmacitinib
     D12212  Ivarmacitinib sulfate
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    JAK1
     D12212  Ivarmacitinib sulfate (USAN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   DG02020  JAK inhibitor
    DG03175  Ivarmacitinib
Other DBs
CAS: 1639419-51-4
PubChem: 497620625
LinkDB
KCF data

ATOM        34
            1   C8x C    11.6368  -20.3293
            2   N5x N    11.6368  -18.9273
            3   C8y C    12.8285  -18.2263
            4   C8y C    14.0903  -18.9273
            5   C8y C    14.0903  -20.3293
            6   N5x N    12.8285  -21.0303
            7   C8x C    15.4222  -18.5067
            8   C8x C    16.1934  -19.6283
            9   N4x N    15.4222  -20.7499
            10  N1c N    12.8285  -16.8243
            11  C1a C    11.6368  -16.1233
            12  C1y C    14.0202  -16.1233
            13  C1x C    14.2305  -14.7212
            14  C1y C    15.5624  -14.4408
            15  C1y C    16.2635  -15.6325
            16  C1x C    15.3521  -16.6841
            17  C1x C    16.5439  -13.3893
            18  N1y N    17.8057  -13.9501
            19  C1x C    17.6655  -15.3521
            20  C5a C    18.9974  -13.2491
            21  N1b N    20.1891  -13.9501
            22  O5a O    18.9974  -11.8471
            23  C8y C    21.3808  -13.2491
            24  S2x S    21.3808  -11.8471
            25  N5x N    22.7128  -11.3564
            26  C8y C    23.5540  -12.5481
            27  N5x N    22.7829  -13.6697
            28  O2a O    24.9560  -12.5481
            29  C1a C    25.6570  -11.3564
            30  S4a S    25.1300  -19.8100
            31  O1d O    23.7300  -19.8100
            32  O1d O    26.5300  -19.8100
            33  O1d O    25.1300  -18.4100
            34  O1d O    25.1300  -21.2100
BOND        37
            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 1
            13   12  10 1 #Up
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   12  16 1
            19   14  17 1
            20   17  18 1
            21   18  19 1
            22   15  19 1
            23   18  20 1
            24   20  21 1
            25   20  22 2
            26   21  23 1
            27   23  24 1
            28   24  25 1
            29   25  26 2
            30   26  27 1
            31   23  27 2
            32   26  28 1
            33   28  29 1
            34   30  31 1
            35   30  32 1
            36   30  33 2
            37   30  34 2

» Japanese version   » Back

DBGET integrated database retrieval system