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KEGG   DRUG: Oclacitinib maleate
Entry
D10142                      Drug                                   
Name
Oclacitinib maleate (USAN)
Formula
C15H23N5O2S. C4H4O4
Exact mass
453.1682
Mol weight
453.51
Structure
Class
Anti-inflammatory
 DG01985  Disease modifying anti-rheumatic drug (DMARD)
  DG02020  JAK inhibitor
Remark
Chemical structure group: DG02005
Efficacy
Antipruritic, Immunosuppressant (veterinary), Janus kinase (JAK) inhibitor
Comment
Treatment of atopic dermatitis and pruritus, veterinary pharmaceutical
Target
JAK1 [HSA:3716] [KO:K11217]
Interaction
Brite
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   DG02020  JAK inhibitor
    DG02005  Oclacitinib
     D10142  Oclacitinib maleate
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    JAK1
     D10142  Oclacitinib maleate (USAN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01985  Disease modifying anti-rheumatic drug (DMARD)
   DG02020  JAK inhibitor
    DG02005  Oclacitinib
Other DBs
CAS: 1208319-27-0
PubChem: 135626860
LigandBox: D10142
LinkDB
KCF data

ATOM        31
            1   N4x N    25.9000  -22.5400
            2   C8x C    25.9000  -23.9400
            3   N5x N    27.0900  -24.6400
            4   C8y C    28.3500  -23.9400
            5   C8y C    28.3500  -22.5400
            6   C8y C    27.0900  -21.8400
            7   N1c N    27.0900  -20.4400
            8   C1y C    25.9000  -19.7400
            9   C1a C    28.2800  -19.7400
            10  C1x C    25.9000  -18.3400
            11  C1x C    24.6400  -17.6400
            12  C1y C    23.4500  -18.3400
            13  C1x C    23.4500  -19.7400
            14  C1x C    24.6400  -20.4400
            15  C1b C    22.1900  -17.6400
            16  S4a S    21.0000  -18.3400
            17  N1b N    19.8100  -17.6400
            18  C1a C    18.6200  -18.3400
            19  N5x N    29.6800  -24.3600
            20  C8x C    30.4500  -23.2400
            21  C8x C    29.6800  -22.1200
            22  O3c O    20.3000  -19.5300
            23  O3c O    21.7000  -19.5300
            24  C2b C    34.8600  -20.7900
            25  C2b C    36.2600  -20.7900
            26  C6a C    36.9600  -22.0024
            27  C6a C    34.1600  -22.0024
            28  O6a O    38.3598  -22.0024
            29  O6a O    36.2696  -23.1979
            30  O6a O    32.7602  -22.0024
            31  O6a O    34.8504  -23.1979
BOND        32
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     7   8 1 #Down
            9     7   9 1
            10    8  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    8  14 1
            16   12  15 1 #Up
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20    4  19 2
            21   19  20 1
            22   20  21 2
            23    5  21 1
            24   16  22 2
            25   16  23 2
            26   24  25 2
            27   25  26 1
            28   24  27 1
            29   26  28 2
            30   26  29 1
            31   27  30 1
            32   27  31 2

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