KEGG   DRUG: Lepzacitinib
Entry
D12786                      Drug                                   
Name
Lepzacitinib (USAN)
Formula
C18H21N5O3
Exact mass
355.1644
Mol weight
355.39
Structure
Class
Anti-inflammatory
 DG01985  Disease modifying anti-rheumatic drug (DMARD)
  DG02020  JAK inhibitor
Efficacy
Anti-inflammatory, Janus kinase (JAK) inhibitor
Comment
Treatment of atopic dermatitis
Target
JAK1 [HSA:3716] [KO:K11217]
JAK3 [HSA:3718] [KO:K11218]
  Pathway
hsa04151  PI3K-Akt signaling pathway
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
    D12786  Lepzacitinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    JAK1
     D12786  Lepzacitinib (USAN)
    JAK3
     D12786  Lepzacitinib (USAN)
Other DBs
CAS: 2321488-47-3
PubChem: 497621199
LinkDB
KCF data

ATOM        26
            1   C8y C    14.7000  -17.9900
            2   C8x C    14.7000  -19.3900
            3   N5x N    15.8900  -20.0900
            4   C8y C    17.1500  -19.3900
            5   C8y C    17.1500  -17.9900
            6   C8y C    15.8900  -17.2900
            7   C8x C    18.4800  -17.5700
            8   C8x C    19.3200  -18.6900
            9   N4x N    18.4800  -19.8100
            10  N1b N    15.8900  -15.8900
            11  C1y C    17.0800  -15.1900
            12  C1x C    17.0800  -13.7900
            13  C1x C    18.2700  -13.0900
            14  C1x C    19.5300  -13.7900
            15  N1y N    19.5300  -15.1200
            16  C1x C    18.3400  -15.8200
            17  C5a C    20.7200  -15.8200
            18  C1b C    21.9100  -15.1200
            19  C3b C    23.1700  -15.8200
            20  O5a O    20.7200  -17.2200
            21  N3a N    24.3600  -16.5200
            22  C7a C    13.5100  -17.2900
            23  O7a O    12.3200  -17.9900
            24  O6a O    13.5100  -15.8900
            25  C1b C    11.1300  -17.2900
            26  C1a C     9.9400  -17.9900
BOND        28
            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     5   7 1
            8     7   8 2
            9     8   9 1
            10    4   9 1
            11    6  10 1
            12   11  10 1 #Down
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   11  16 1
            19   15  17 1
            20   17  18 1
            21   18  19 1
            22   17  20 2
            23   19  21 3
            24    1  22 1
            25   22  23 1
            26   22  24 2
            27   23  25 1
            28   25  26 1

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