KEGG   DRUG: Oclacitinib maleateHelp
Entry
D10142                      Drug                                   

Name
Oclacitinib maleate (USAN)
Formula
C15H23N5O2S. C4H4O4
Exact mass
453.1682
Mol weight
453.5126
Structure
Mol fileKCF fileDB search
Class
Other
 DG02020  Janus kinase 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]
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    JAK1
     D10142  Oclacitinib maleate (USAN)
BRITE hierarchy
Other DBs
CAS: 1208319-27-0
PubChem: 135626860
ChEMBL: CHEMBL2105739
LigandBox: D10142
LinkDB All DBs
KCF data Show

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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