KEGG   DRUG: Golidocitinib
Entry
D12502                      Drug                                   
Name
Golidocitinib (USAN/INN)
Formula
C25H31N9O2
Exact mass
489.2601
Mol weight
489.57
Structure
Class
Anti-inflammatory
 DG01985  Disease modifying anti-rheumatic drug (DMARD)
  DG02020  JAK inhibitor
Efficacy
Anti-inflammatory, Antineoplastic, Janus kinase (JAK) inhibitor
Comment
Treatment of autoimmune diseases and advanced cancers
Target
JAK1 [HSA:3716] [KO:K11217]
  Pathway
hsa04151  PI3K-Akt signaling pathway
hsa04630  JAK-STAT signaling pathway
Interaction
Brite
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   DG02020  JAK inhibitor
    D12502  Golidocitinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    JAK1
     D12502  Golidocitinib (USAN/INN)
Other DBs
CAS: 2091134-68-6
PubChem: 497620915
LinkDB
KCF data

ATOM        36
            1   C8x C    21.5019  -16.8926
            2   C8x C    21.5019  -15.4965
            3   C8y C    20.3152  -14.7985
            4   C8y C    19.0588  -15.4965
            5   C8y C    19.0588  -16.8926
            6   C8x C    20.3152  -17.5906
            7   N4x N    17.7326  -15.0777
            8   C8x C    16.9647  -16.1945
            9   C8y C    17.7326  -17.3114
            10  N1b N    20.3152  -13.4024
            11  C5a C    21.5019  -12.7044
            12  C1c C    22.6885  -13.4024
            13  O5a O    21.5019  -11.3084
            14  N1y N    23.8752  -12.7044
            15  C1x C    25.0618  -13.4024
            16  C1x C    26.3182  -12.7044
            17  N1y N    26.3182  -11.3084
            18  C1x C    25.1316  -10.6104
            19  C1x C    23.8752  -11.3084
            20  C1a C    27.5049  -10.6104
            21  C1a C    22.6885  -14.7985
            22  C8y C    17.3137  -18.6376
            23  N5x N    15.9177  -18.9168
            24  C8y C    15.4989  -20.2431
            25  N5x N    16.4761  -21.2901
            26  C8x C    17.8024  -21.0109
            27  C8x C    18.2910  -19.6847
            28  N1b N    14.1726  -20.5921
            29  C8y C    13.2652  -19.5450
            30  C8x C    13.5444  -18.1490
            31  N4y N    12.2880  -17.4510
            32  N5x N    11.2409  -18.4282
            33  C8y C    11.7994  -19.6847
            34  O2a O    11.1013  -20.9411
            35  C1a C     9.7053  -20.9411
            36  C1a C    12.1484  -16.0549
BOND        40
            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 1
            9     8   9 2
            10    5   9 1
            11    3  10 1
            12   10  11 1
            13   11  12 1
            14   11  13 2
            15   12  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   14  19 1
            22   17  20 1
            23   12  21 1 #Down
            24    9  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   22  27 1
            31   24  28 1
            32   28  29 1
            33   29  30 2
            34   30  31 1
            35   31  32 1
            36   32  33 2
            37   29  33 1
            38   33  34 1
            39   34  35 1
            40   31  36 1

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