KEGG   DRUG: Povorcitinib phosphate
Entry
D12576                      Drug                                   
Name
Povorcitinib phosphate (USAN)
Formula
C23H22F5N7O. H3PO4
Exact mass
605.1575
Mol weight
605.45
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 suppurativa, vitiligo, and prurigo nodulari
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
     D12576  Povorcitinib phosphate
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    JAK1
     D12576  Povorcitinib phosphate (USAN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   DG02020  JAK inhibitor
    DG03264  Povorcitinib
Other DBs
CAS: 1637677-33-8
PubChem: 497620989
LinkDB
KCF data

ATOM        41
            1   C8y C    18.3322  -17.4925
            2   C8y C    18.3322  -16.0931
            3   C8x C    17.1427  -15.3934
            4   C8y C    15.8832  -16.0931
            5   C8y C    15.8832  -17.4925
            6   C8x C    17.1427  -18.1922
            7   X   F    14.6937  -15.3934
            8   X   F    19.5217  -18.1922
            9   C5a C    14.6937  -18.1922
            10  N1b N    13.5042  -17.4925
            11  O5a O    14.6937  -19.5916
            12  C1c C    12.3147  -18.1922
            13  C1d C    11.1253  -17.4925
            14  C1a C    12.3147  -19.5916
            15  X   F     9.8658  -16.7928
            16  X   F    11.8250  -16.3030
            17  X   F    10.4256  -18.6820
            18  N1y N    19.5217  -15.3934
            19  C1x C    20.8511  -15.7433
            20  C1z C    21.2010  -14.4139
            21  C1x C    19.8715  -14.0640
            22  C1b C    21.6208  -13.0844
            23  C3b C    22.9502  -12.6646
            24  N3a N    24.3496  -12.3147
            25  N4y N    22.5304  -14.7637
            26  C8x C    23.0202  -16.1631
            27  C8y C    24.4196  -16.0931
            28  C8x C    24.8394  -14.7637
            29  N5x N    23.6499  -13.9241
            30  C8y C    25.2592  -17.2826
            31  C8y C    24.8394  -18.6121
            32  N4x N    26.0289  -19.4517
            33  N5x N    27.1484  -18.5421
            34  C8y C    26.6586  -17.2127
            35  C1a C    27.4283  -16.1631
            36  C1a C    23.5100  -19.0319
            37  P1b P    32.0600  -16.1700
            38  O1c O    30.6600  -16.1700
            39  O1c O    33.4600  -16.1700
            40  O1c O    32.0600  -17.5700
            41  O1c O    32.0600  -14.7700
BOND        43
            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
            40   37  38 1
            41   37  39 1
            42   37  40 1
            43   37  41 2

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