KEGG   DRUG: Branebrutinib
Entry
D11478                      Drug                                   

Name
Branebrutinib (USAN)
Formula
C20H23FN4O2
Exact mass
370.1805
Mol weight
370.4206
Structure
Efficacy
Antineoplastic, Autoimmune disease treatment, Bruton's tyrosine kinase inhibitor
Comment
Treatment of autoimmune diseases and hematologic malignancies
Target
BTK [HSA:695] [KO:K07370]
  Pathway
hsa04064  NF-kappa B signaling pathway
hsa04611  Platelet activation
hsa04662  B cell receptor signaling pathway
Interaction
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   Tec family
    BTK
     D11478  Branebrutinib (USAN)
Other DBs
CAS: 1912445-55-6
PubChem: 384585454
ChEMBL: CHEMBL4297674
LinkDB
KCF data

ATOM        27
            1   C8x C    22.4700  -12.5300
            2   C8y C    22.4700  -13.9300
            3   C8y C    21.2800  -14.6300
            4   C8y C    20.0200  -13.9300
            5   C8y C    20.0200  -12.5300
            6   C8y C    21.2800  -11.8300
            7   C8y C    18.9649  -14.9120
            8   C8y C    19.5728  -16.2190
            9   N4x N    21.0036  -16.0447
            10  C1a C    18.8905  -17.4469
            11  C1a C    17.5954  -14.6445
            12  C5a C    23.6853  -14.6251
            13  N1a N    24.8737  -13.9323
            14  O5a O    23.6911  -16.0297
            15  X   F    21.2972  -10.4301
            16  N1y N    18.8134  -11.8200
            17  C1x C    18.8250  -10.4300
            18  C1x C    17.6185   -9.7199
            19  C1x C    16.4002  -10.4097
            20  C1y C    16.3886  -11.7997
            21  C1x C    17.5952  -12.5098
            22  N1b N    15.1509  -12.5002
            23  C5a C    13.9353  -11.7840
            24  C3b C    12.7231  -12.4695
            25  O5a O    13.9480  -10.3601
            26  C3b C    11.5107  -13.1695
            27  C1a C    10.2982  -13.8695
BOND        29
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    3   9 1
            11    8  10 1
            12    7  11 1
            13    2  12 1
            14   12  13 1
            15   12  14 2
            16    6  15 1
            17    5  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   16  21 1
            24   20  22 1 #Up
            25   22  23 1
            26   23  24 1
            27   23  25 2
            28   24  26 3
            29   26  27 1

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