KEGG   DRUG: OclacitinibHelp
Entry
D10141                      Drug                                   

Name
Oclacitinib (USAN)
Formula
C15H23N5O2S
Exact mass
337.1572
Mol weight
337.4404
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
     D10141  Oclacitinib (USAN)
BRITE hierarchy
Other DBs
CAS: 1208319-26-9
PubChem: 135626859
ChEMBL: CHEMBL2103874
LigandBox: D10141
LinkDB All DBs
KCF data Show

ATOM        23
            1   N4x N    23.5900  -31.7800
            2   C8x C    23.5900  -33.1800
            3   N5x N    24.8024  -33.8800
            4   C8y C    26.0149  -33.1800
            5   C8y C    26.0149  -31.7800
            6   C8y C    24.8024  -31.0800
            7   N1c N    24.8024  -29.6802
            8   C1y C    23.5732  -28.9703
            9   C1a C    25.9980  -28.9898
            10  C1x C    23.5735  -27.5801
            11  C1x C    22.3612  -26.8799
            12  C1y C    21.1486  -27.5796
            13  C1x C    21.1483  -28.9698
            14  C1x C    22.3606  -29.6701
            15  C1b C    19.9300  -26.8757
            16  S4a S    18.7307  -27.5680
            17  N1b N    17.5456  -26.8835
            18  C1a C    16.3529  -27.5719
            19  N5x N    27.3464  -33.6126
            20  C8x C    28.1693  -32.4800
            21  C8x C    27.3464  -31.3474
            22  O3c O    18.0307  -28.7804
            23  O3c O    19.4307  -28.7804
BOND        25
            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

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