KEGG   DRUG: Remibrutinib
Entry
D12285                      Drug                                   
Name
Remibrutinib (JAN/USAN/INN)
Formula
C27H27F2N5O3
Exact mass
507.2082
Mol weight
507.53
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG02022  BTK inhibitor
Efficacy
Autoimmune disease treatment, Bruton's tyrosine kinase inhibitor
Comment
Treatment of chronic spontaneous urticaria
Target
BTK [HSA:695] [KO:K07370]
  Pathway
hsa04064  NF-kappa B signaling pathway
hsa04662  B cell receptor signaling pathway
hsa04664  Fc epsilon RI signaling pathway
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG02022  BTK inhibitor
    D12285  Remibrutinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   TEC family
    BTK
     D12285  Remibrutinib (JAN/USAN/INN)
Other DBs
CAS: 1787294-07-8
PubChem: 497620698
LinkDB
KCF data

ATOM        37
            1   C8y C    10.9200  -14.7700
            2   C8y C    10.9200  -13.3700
            3   N5x N     9.7300  -12.6700
            4   C8x C     8.4700  -13.3700
            5   N5x N     8.4700  -14.7700
            6   C8y C     9.7300  -15.4700
            7   N1a N     9.7300  -16.8700
            8   O2a O    12.1100  -15.4700
            9   C1b C    12.1100  -16.8700
            10  C1b C    13.3000  -17.5700
            11  C8y C    12.1100  -12.6700
            12  C8y C    13.3000  -13.3700
            13  C8y C    14.5600  -12.6700
            14  C8x C    14.5600  -11.2700
            15  C8y C    13.3700  -10.5700
            16  C8x C    12.1100  -11.2700
            17  C1a C    13.3000  -14.7000
            18  X   F    13.3700   -9.1700
            19  N1b N    15.7500  -13.3700
            20  C5a C    16.9400  -12.6700
            21  C8y C    18.1300  -13.3700
            22  O5a O    16.9400  -11.2700
            23  C8x C    18.1300  -14.7700
            24  C8x C    19.3900  -15.4700
            25  C8y C    20.5800  -14.7700
            26  C8x C    20.5800  -13.3700
            27  C8y C    19.3900  -12.6700
            28  X   F    19.3900  -11.2700
            29  C1y C    21.7700  -15.4700
            30  C1x C    23.1700  -15.4700
            31  C1x C    22.4700  -16.6600
            32  N1c N    14.4900  -16.8700
            33  C5a C    15.6800  -17.5700
            34  C1a C    14.4900  -15.4700
            35  C2b C    16.8700  -16.8700
            36  O5a O    15.6800  -18.9700
            37  C2a C    18.0600  -17.5700
BOND        40
            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     6   7 1
            8     1   8 1
            9     8   9 1
            10    9  10 1
            11    2  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   11  16 1
            18   12  17 1
            19   15  18 1
            20   13  19 1
            21   19  20 1
            22   20  21 1
            23   20  22 2
            24   21  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   21  27 1
            30   27  28 1
            31   25  29 1
            32   30  29 1
            33   29  31 1
            34   31  30 1
            35   10  32 1
            36   32  33 1
            37   32  34 1
            38   33  35 1
            39   33  36 2
            40   35  37 2

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