KEGG   DRUG: BrepocitinibHelp
Entry
D11537                      Drug                                   

Name
Brepocitinib (USAN)
Formula
C18H21F2N7O
Exact mass
389.1776
Mol weight
389.4024
Structure
Mol fileKCF fileDB search
Remark
Chemical structure group: DG03044
Efficacy
Anti-inflammatory, Tyrosine kinase inhibitor
Comment
Treatment of immunological disorders
Target
JAK1 [HSA:3716] [KO:K11217]
TYK2 [HSA:7297] [KO:K11219]
  Pathway
hsa04630  JAK-STAT signaling pathway
hsa04658  Th1 and Th2 cell differentiation
hsa04659  Th17 cell differentiation
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   JAK family
    JAK1
     D11537  Brepocitinib (USAN)
    TYK2
     D11537  Brepocitinib (USAN)
BRITE hierarchy
Other DBs
CAS: 1883299-62-4
PubChem: 384585513
PDB-CCD: G4J[PDBj]
LinkDB All DBs
KCF data Show

ATOM        28
            1   C8y C    12.5300  -14.9100
            2   N5x N    12.5300  -16.3100
            3   C8x C    13.7200  -17.0100
            4   C8x C    14.9800  -16.3100
            5   C8y C    14.9800  -14.9100
            6   N5x N    13.7200  -14.2100
            7   N1y N    16.1700  -14.2100
            8   C1x C    17.3600  -14.9100
            9   C1y C    18.6200  -14.2100
            10  N1y N    18.6200  -12.8100
            11  C1y C    17.4300  -12.1100
            12  C1x C    16.1700  -12.8100
            13  C5a C    19.8100  -12.1100
            14  C1y C    21.0000  -12.8100
            15  O5a O    19.8100  -10.7100
            16  C1x C    21.7000  -14.0700
            17  C1z C    22.4000  -12.8100
            18  X   F    23.6066  -12.1000
            19  X   F    22.0321  -11.4592
            20  N1b N    11.3147  -14.2149
            21  C8y C    10.1263  -14.9077
            22  C8x C     8.8048  -14.5221
            23  N5x N     8.0269  -15.6587
            24  N4y N     8.8674  -16.7498
            25  C8x C    10.1649  -16.2876
            26  C1a C     8.4798  -18.0686
            27  C1x C    16.7877  -13.2523
            28  C1x C    17.2200  -14.2100
BOND        32
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    7  12 1
            14   10  13 1
            15   14  13 1 #Up
            16   13  15 2
            17   16  17 1
            18   17  14 1
            19   14  16 1
            20   17  18 1
            21   17  19 1
            22    1  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 1
            28   21  25 2
            29   24  26 1
            30   11  27 1
            31    9  28 1
            32   28  27 1

» Japanese version   » Back

DBGET integrated database retrieval system