KEGG   DRUG: SolcitinibHelp
Entry
D10728                      Drug                                   

Name
Solcitinib (USAN/INN)
Formula
C22H23N5O2
Exact mass
389.1852
Mol weight
389.4503
Structure
Mol fileKCF fileDB search
Class
Other
 DG02020  Janus kinase inhibitor
Efficacy
Anti-inflammatory, Janus kinase (JAK) inhibitor
Comment
Treatment of immunologic disorders
Target
JAK1 [HSA:3716] [KO:K11217]
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    JAK1
     D10728  Solcitinib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1206163-45-2
PubChem: 254741689
ChEMBL: CHEMBL3301606
LinkDB All DBs
KCF data Show

ATOM        29
            1   C8x C    13.7900  -11.2700
            2   C8x C    13.7900  -12.6700
            3   C8y C    15.0500  -13.3700
            4   N4y N    16.2400  -12.6700
            5   C8y C    16.2400  -11.2700
            6   C8x C    15.0500  -10.5700
            7   N5x N    17.5700  -13.0900
            8   C8y C    18.4100  -11.9700
            9   N5x N    17.5700  -10.7800
            10  C8y C    15.0500  -14.7700
            11  C8x C    13.8600  -15.4700
            12  C8x C    13.8600  -16.8700
            13  C8y C    15.0500  -17.5700
            14  C8x C    16.2400  -16.8700
            15  C8x C    16.2400  -15.4700
            16  C5a C    15.0500  -18.9700
            17  N1y N    16.2400  -19.6700
            18  O5a O    13.8600  -19.6700
            19  C1x C    16.6600  -21.0000
            20  C1z C    17.9900  -20.6500
            21  C1x C    17.6400  -19.3200
            22  C1a C    19.3900  -20.6500
            23  C1a C    18.6900  -21.8400
            24  N1b N    19.8100  -11.9700
            25  C5a C    20.5100  -13.2300
            26  C1y C    21.9100  -13.2300
            27  O5a O    19.7400  -14.4200
            28  C1x C    23.1700  -13.9300
            29  C1x C    23.1700  -12.5300
BOND        33
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    5   9 2
            11    3  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   10  15 1
            18   13  16 1
            19   16  17 1
            20   16  18 2
            21   17  19 1
            22   19  20 1
            23   20  21 1
            24   17  21 1
            25   20  22 1
            26   20  23 1
            27    8  24 1
            28   24  25 1
            29   25  26 1
            30   25  27 2
            31   26  28 1
            32   28  29 1
            33   26  29 1

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