KEGG   DRUG: Frevecitinib
Entry
D12993                      Drug                                   
Name
Frevecitinib (USAN/INN)
Formula
C22H21N7O2
Exact mass
415.1757
Mol weight
415.45
Structure
Class
Anti-inflammatory
 DG01985  Disease modifying anti-rheumatic drug (DMARD)
  DG02020  JAK inhibitor
Efficacy
Anti-inflammatory, Janus kinase (JAK) inhibitor
Comment
Treatment of asthma and chronic obstructive pulmonary disease
Target
JAK1 [HSA:3716] [KO:K11217]
JAK2 [HSA:3717] [KO:K04447]
JAK3 [HSA:3718] [KO:K11218]
  Pathway
hsa04062  Chemokine signaling pathway
hsa04550  Signaling pathways regulating pluripotency of stem cells
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
    D12993  Frevecitinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    JAK1
     D12993  Frevecitinib (USAN/INN)
    JAK2
     D12993  Frevecitinib (USAN/INN)
    JAK3
     D12993  Frevecitinib (USAN/INN)
Other DBs
CAS: 1299417-07-4
PubChem: 504099509
LinkDB
KCF data

ATOM        31
            1   C8y C    13.6500  -14.3500
            2   C8x C    13.6500  -15.7500
            3   C8x C    14.8624  -16.4500
            4   C8y C    16.0749  -15.7500
            5   C8y C    16.0749  -14.3500
            6   N5x N    14.8624  -13.6500
            7   N4y N    17.4064  -16.1826
            8   C8y C    18.2293  -15.0500
            9   N4y N    17.4064  -13.9174
            10  O5x O    19.6000  -15.0500
            11  C1a C    17.8375  -17.5094
            12  C1y C    17.8375  -12.5906
            13  C1x C    19.2169  -12.2974
            14  N1y N    19.6495  -10.9660
            15  C1x C    18.7128   -9.9256
            16  C1x C    17.3334  -10.2187
            17  C1x C    16.9008  -11.5502
            18  C8y C    12.4376  -13.6500
            19  C8x C    12.2915  -12.2602
            20  N5x N    10.9246  -11.9696
            21  N4y N    10.2258  -13.1798
            22  C8y C    11.1609  -14.2184
            23  C8x C     8.8564  -13.4709
            24  C8x C     8.4237  -14.8023
            25  C8x C     9.3588  -15.8409
            26  C8x C    10.7282  -15.5498
            27  C5a C    21.0333  -10.6715
            28  C1b C    21.9396  -11.6779
            29  O5a O    21.4721   -9.3220
            30  C3b C    23.2782  -11.3933
            31  N3a N    24.6305  -11.0309
BOND        35
            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 1
            10    5   9 1
            11    8  10 2
            12    7  11 1
            13   12   9 1 #Up
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20    1  18 1
            21   18  19 1
            22   19  20 2
            23   20  21 1
            24   21  22 1
            25   18  22 2
            26   21  23 1
            27   23  24 2
            28   24  25 1
            29   25  26 2
            30   22  26 1
            31   14  27 1
            32   27  28 1
            33   27  29 2
            34   28  30 1
            35   30  31 3

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