KEGG   DRUG: Gusacitinib
Entry
D11676                      Drug                                   
Name
Gusacitinib (USAN/INN)
Formula
C24H28N8O2
Exact mass
460.2335
Mol weight
460.5315
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
Anti-inflammatory
 DG01985  Disease modifying anti-rheumatic drug (DMARD)
  DG02020  JAK inhibitor
Remark
Chemical structure group: DG03080
Efficacy
Antineoplastic
Comment
Treatment of autoimmune disorders and hematological cancers
Target
JAK1 [HSA:3716] [KO:K11217]
JAK2 [HSA:3717] [KO:K04447]
JAK3 [HSA:3718] [KO:K11218]
SYK [HSA:6850] [KO:K05855]
  Pathway
hsa04151  PI3K-Akt signaling pathway
hsa04630  JAK-STAT signaling pathway
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG03080  Gusacitinib
    D11676  Gusacitinib
 Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   DG02020  JAK inhibitor
    DG03080  Gusacitinib
     D11676  Gusacitinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   SYK family
    SYK
     D11676  Gusacitinib (USAN/INN)
   JAK family
    JAK1
     D11676  Gusacitinib (USAN/INN)
    JAK2
     D11676  Gusacitinib (USAN/INN)
    JAK3
     D11676  Gusacitinib (USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG03080  Gusacitinib
 Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   DG02020  JAK inhibitor
    DG03080  Gusacitinib
Other DBs
CAS: 1425381-60-7
PubChem: 405226543
KCF data

ATOM        34
            1   N5x N     7.2800  -16.1000
            2   N4x N     7.2800  -17.5000
            3   C8y C     8.4700  -18.2000
            4   C8y C     9.7300  -17.5000
            5   C8y C     9.7300  -16.1000
            6   C8x C     8.4700  -15.4000
            7   C8y C    10.9200  -18.2000
            8   N5x N    12.1100  -17.5000
            9   C8y C    12.1100  -16.1000
            10  N5x N    10.9200  -15.4000
            11  N1y N    13.3000  -15.4000
            12  C1x C    14.4900  -16.1000
            13  C1x C    15.7500  -15.4000
            14  C1y C    15.7500  -14.0000
            15  C1x C    14.5600  -13.3000
            16  C1x C    13.3000  -14.0000
            17  C1b C    16.9400  -13.3000
            18  C3b C    18.1300  -14.0000
            19  N3a N    19.3900  -14.7000
            20  N1b N    10.9200  -19.6000
            21  C8y C    12.1100  -20.3000
            22  C8x C    12.1100  -21.7000
            23  C8x C    13.3700  -22.4000
            24  C8y C    14.5600  -21.7000
            25  C8x C    14.5600  -20.3000
            26  C8x C    13.3700  -19.6000
            27  N1y N    15.7500  -22.4000
            28  C1x C    15.7500  -23.8000
            29  C1x C    17.0100  -24.5000
            30  C1y C    18.2000  -23.8000
            31  C1x C    18.2000  -22.4000
            32  C1x C    17.0100  -21.7000
            33  O1a O    19.3900  -24.5000
            34  O5x O     8.4700  -19.6000
BOND        38
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 2
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   11  16 1
            19   14  17 1
            20   17  18 1
            21   18  19 3
            22    7  20 1
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   21  26 1
            30   24  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   27  32 1
            37   30  33 1
            38    3  34 2

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Ontology (2)   
   KEGG BRITE (2)   
Drug (1)   
   KEGG DGROUP (1)   
Chemical substance (1)   
   PubChem (1)   
Gene (8)   
   KEGG ORTHOLOGY (4)   
   KEGG GENES (4)   
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