KEGG   DRUG: Londamocitinib
Entry
D13040                      Drug                                   
Name
Londamocitinib (USAN/INN)
Formula
C28H31F2N7O4S
Exact mass
599.2126
Mol weight
599.65
Structure
Class
Anti-inflammatory
 DG01985  Disease modifying anti-rheumatic drug (DMARD)
  DG02020  JAK inhibitor
Remark
Chemical structure group: DG03332
Efficacy
Antiasthmatic, Anti-inflammatory, Janus kinase (JAK) inhibitor
Comment
Treatment of asthma and respiratory diseases
Target
JAK1 [HSA:3716] [KO:K11217]
  Pathway
hsa04630  JAK-STAT signaling pathway
hsa04658  Th1 and Th2 cell differentiation
Interaction
Brite
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   DG02020  JAK inhibitor
    DG03332  Londamocitinib
     D13040  Londamocitinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    JAK1
     D13040  Londamocitinib (USAN/INN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   DG02020  JAK inhibitor
    DG03332  Londamocitinib
Other DBs
CAS: 2241039-81-4
PubChem: 505917313
LinkDB
KCF data

ATOM        42
            1   C8x C    20.7200  -14.8400
            2   C8x C    20.7200  -16.2400
            3   C8x C    19.5300  -16.9400
            4   C8y C    18.2700  -16.2400
            5   C8y C    18.2700  -14.8400
            6   C8y C    19.5300  -14.1400
            7   C8y C    16.9400  -16.6600
            8   C8x C    16.1700  -15.5400
            9   N4x N    16.9400  -14.4200
            10  N1b N    19.5300  -12.7400
            11  C5a C    20.7200  -12.0400
            12  C1c C    21.9100  -12.7400
            13  O5a O    20.7200  -10.6400
            14  N1y N    23.1000  -12.0400
            15  C1b C    21.9100  -14.1400
            16  C1x C    23.1000  -10.6400
            17  C1x C    24.2900   -9.9400
            18  N1y N    25.4800  -10.6400
            19  C1x C    25.4800  -12.0400
            20  C1x C    24.2900  -12.7400
            21  O2a O    23.1000  -14.8400
            22  C1a C    24.2900  -14.1400
            23  C1a C    26.6700   -9.9400
            24  C8y C    16.4500  -17.9900
            25  C8y C    17.3600  -19.0400
            26  C8x C    16.9400  -20.3700
            27  N5x N    15.5400  -20.6500
            28  C8y C    14.6300  -19.6000
            29  N5x N    15.1200  -18.2700
            30  X   F    18.7600  -18.7600
            31  N1b N    13.2300  -19.8800
            32  X   F    10.5000  -20.4400
            33  C8y C    12.2952  -18.8378
            34  C8x C    12.7347  -17.4928
            35  C8x C    11.7998  -16.4508
            36  C8x C    10.4299  -16.7396
            37  C8y C     9.9903  -18.0845
            38  C8y C    10.9253  -19.1266
            39  S4a S     8.6443  -18.3679
            40  C1a C     7.2920  -18.7302
            41  O3c O     8.2819  -17.0156
            42  O3c O     9.0066  -19.7202
BOND        46
            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    6  10 1
            12   10  11 1
            13   11  12 1
            14   11  13 2
            15   12  14 1
            16   12  15 1 #Down
            17   14  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   14  20 1
            23   15  21 1
            24   21  22 1
            25   18  23 1
            26    7  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   24  29 1
            33   25  30 1
            34   28  31 1
            35   31  33 1
            36   33  34 2
            37   34  35 1
            38   35  36 2
            39   36  37 1
            40   37  38 2
            41   33  38 1
            42   37  39 1
            43   39  40 1
            44   39  41 2
            45   39  42 2
            46   38  32 1

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