KEGG   DRUG: PeficitinibHelp
Entry
D10653                      Drug                                   

Name
Peficitinib (USAN/INN)
Formula
C18H22N4O2
Exact mass
326.1743
Mol weight
326.3929
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG02020  Janus kinase inhibitor
Remark
Chemical structure group: DG01853
Product (DG01853): D10721<JP>
Efficacy
Antirheumatic, Immunosuppressant, Janus kinase (JAK) inhibitor
Comment
Prevention of rejection in solid organ transplantation, Treatment of psoriasis, Treatment of rheumatoid arthritis
Target
JAK1 [HSA:3716] [KO:K11217]
JAK2 [HSA:3717] [KO:K04447]
JAK3 [HSA:3718] [KO:K11218]
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    JAK1
     D10653  Peficitinib (USAN/INN)
    JAK2
     D10653  Peficitinib (USAN/INN)
    JAK3
     D10653  Peficitinib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 944118-01-8
PubChem: 254741614
PDB-CCD: 9T6[PDBj]
LinkDB All DBs
KCF data Show

ATOM        24
            1   C1y C    23.7460  -21.4370
            2   C8x C    21.8230  -17.2190
            3   C8y C    21.8230  -18.4596
            4   C8y C    22.8974  -19.0799
            5   C8y C    23.9718  -18.4596
            6   C8y C    23.9718  -17.2190
            7   N5x N    22.8974  -16.5987
            8   C8x C    25.1517  -18.8429
            9   C8x C    25.8809  -17.8393
            10  N4x N    25.1517  -16.8356
            11  C5a C    20.7487  -19.0799
            12  N1a N    19.6742  -18.4596
            13  O5a O    20.7487  -20.3205
            14  N1b N    22.8974  -20.3205
            15  C1y C    25.3165  -20.7438
            16  C1y C    23.6839  -22.3675
            17  C1x C    22.7447  -24.0510
            18  C1x C    26.8250  -21.1780
            19  C1z C    24.9354  -23.4819
            20  C1y C    27.1972  -22.7908
            21  C1x C    26.4950  -24.0314
            22  C1x C    24.7582  -22.0663
            23  C1x C    25.4406  -23.0498
            24  O1a O    25.2565  -24.6802
BOND        28
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     5   8 1
            8     8   9 2
            9     9  10 1
            10    6  10 1
            11    3  11 1
            12   11  12 1
            13   11  13 2
            14    4  14 1
            15    1  14 1
            16    1  15 1
            17    1  16 1
            18   16  17 1
            19   15  18 1
            20   17  19 1
            21   18  20 1
            22   20  21 1
            23   19  21 1
            24   15  22 1
            25   19  22 1
            26   20  23 1
            27   16  23 1
            28   19  24 1

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