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KEGG   DRUG: Povorcitinib
Entry
D12575                      Drug                                   
Name
Povorcitinib (USAN/INN)
Formula
C23H22F5N7O
Exact mass
507.1806
Mol weight
507.46
Structure
Class
Anti-inflammatory
 DG01985  Disease modifying anti-rheumatic drug (DMARD)
  DG02020  JAK inhibitor
Remark
Chemical structure group: DG03264
Efficacy
Anti-inflammatory, Janus kinase (JAK) inhibitor
Comment
Treatment of hidradenitis supperativa, vitiligo and prurigo nodularis
Target
JAK1 [HSA:3716] [KO:K11217]
  Pathway
hsa04151  PI3K-Akt signaling pathway
hsa04621  NOD-like receptor 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
    DG03264  Povorcitinib
     D12575  Povorcitinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    JAK1
     D12575  Povorcitinib (USAN/INN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   DG02020  JAK inhibitor
    DG03264  Povorcitinib
Other DBs
CAS: 1637677-22-5
PubChem: 497620988
LinkDB
KCF data

ATOM        36
            1   C8y C    11.6200  -20.5100
            2   C8y C    11.6200  -19.1100
            3   C8x C    10.4300  -18.4100
            4   C8y C     9.1700  -19.1100
            5   C8y C     9.1700  -20.5100
            6   C8x C    10.4300  -21.2100
            7   X   F     7.9800  -18.4100
            8   X   F    12.8100  -21.2100
            9   C5a C     7.9800  -21.2100
            10  N1b N     6.7900  -20.5100
            11  O5a O     7.9800  -22.6100
            12  C1c C     5.6000  -21.2100
            13  C1d C     4.4100  -20.5100
            14  C1a C     5.6000  -22.6100
            15  X   F     3.1500  -19.8100
            16  X   F     5.1100  -19.3200
            17  X   F     3.7100  -21.7000
            18  N1y N    12.8100  -18.4100
            19  C1x C    14.1400  -18.7600
            20  C1z C    14.4900  -17.4300
            21  C1x C    13.1600  -17.0800
            22  C1b C    14.9100  -16.1000
            23  C3b C    16.2400  -15.6800
            24  N3a N    17.6400  -15.3300
            25  N4y N    15.8349  -17.8191
            26  C8x C    16.2932  -19.1676
            27  C8y C    17.7169  -19.1490
            28  C8x C    18.1391  -17.7892
            29  N5x N    16.9763  -16.9674
            30  C8y C    18.5671  -20.2870
            31  C8y C    18.1473  -21.6408
            32  N4x N    19.3052  -22.4585
            33  N5x N    20.4406  -21.6100
            34  C8y C    19.9845  -20.2679
            35  C1a C    20.7652  -19.1618
            36  C1a C    16.8097  -22.0956
BOND        39
            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     1   8 1
            9     5   9 1
            10    9  10 1
            11    9  11 2
            12   10  12 1
            13   12  13 1
            14   12  14 1 #Up
            15   13  15 1
            16   13  16 1
            17   13  17 1
            18    2  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   18  21 1
            23   20  22 1
            24   22  23 1
            25   23  24 3
            26   20  25 1
            27   25  26 1
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   25  29 1
            32   27  30 1
            33   30  31 2
            34   31  32 1
            35   32  33 1
            36   33  34 2
            37   30  34 1
            38   34  35 1
            39   31  36 1

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