KEGG   DRUG: Decernotinib
Entry
D10585                      Drug                                   
Name
Decernotinib (USAN/INN);
Adelatinib
Formula
C18H19F3N6O
Exact mass
392.1572
Mol weight
392.38
Structure
Class
Anti-inflammatory
 DG01985  Disease modifying anti-rheumatic drug (DMARD)
  DG02020  JAK inhibitor
Efficacy
Immunomodulator, Janus kinase (JAK) 3 inhibitor
Target
JAK3 [HSA:3718] [KO:K11218]
Interaction
Brite
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   DG02020  JAK inhibitor
    D10585  Decernotinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    JAK3
     D10585  Decernotinib (USAN/INN)
Other DBs
CAS: 944842-54-0
PubChem: 254741547
PDB-CCD: VJK[PDBj]
LinkDB
KCF data

ATOM        28
            1   C8x C     5.8100  -20.4400
            2   C8x C     5.8100  -19.0400
            3   C8x C     7.0000  -18.3400
            4   C8y C     8.2600  -19.0400
            5   C8y C     8.2600  -20.4400
            6   N5x N     7.0000  -21.1400
            7   C8y C     9.5900  -18.6200
            8   C8x C    10.3600  -19.7400
            9   N4x N     9.5900  -20.8600
            10  C8y C     9.5900  -17.2200
            11  N5x N     8.4000  -16.5200
            12  C8x C     8.4000  -15.1200
            13  C8x C     9.5900  -14.4200
            14  C8y C    10.7800  -15.1200
            15  N5x N    10.7800  -16.5200
            16  N1b N    11.9700  -14.4200
            17  C1d C    13.1600  -15.1200
            18  C5a C    14.3500  -14.4200
            19  N1b N    15.5400  -15.1200
            20  C1b C    16.7300  -14.4200
            21  C1d C    17.9200  -15.1200
            22  X   F    19.1100  -14.4200
            23  X   F    17.9200  -16.5200
            24  X   F    19.1100  -15.8200
            25  O5a O    14.3500  -13.0200
            26  C1b C    12.4600  -16.3324
            27  C1a C    13.8600  -16.3324
            28  C1a C    13.2161  -17.4883
BOND        30
            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    7  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18   14  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   21  23 1
            26   21  24 1
            27   18  25 2
            28   17  26 1 #Up
            29   17  27 1 #Down
            30   26  28 1

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