KEGG   DRUG: Evobrutinib
Entry
D12467                      Drug                                   
Name
Evobrutinib (USAN/INN)
Formula
C25H27N5O2
Exact mass
429.2165
Mol weight
429.51
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG02022  BTK inhibitor
Efficacy
Anti-inflammatory disease, Bruton's tyrosine kinase inhibitor
Comment
Treatment of multiple sclerosis, systemic lupus erythematosus and rheumatoid arthritis
Target
BTK [HSA:695] [KO:K07370]
  Pathway
hsa04064  NF-kappa B signaling pathway
hsa04380  Osteoclast differentiation
hsa04662  B cell receptor signaling pathway
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG02022  BTK inhibitor
    D12467  Evobrutinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   TEC family
    BTK
     D12467  Evobrutinib (USAN/INN)
Other DBs
CAS: 1415823-73-2
PubChem: 497620880
PDB-CCD: MZJ[PDBj]
LinkDB
KCF data

ATOM        32
            1   C8x C     5.6000  -14.8400
            2   N5x N     5.6000  -16.2400
            3   C8y C     6.8124  -16.9400
            4   C8y C     8.0249  -16.2400
            5   C8y C     8.0249  -14.8400
            6   N5x N     6.8124  -14.1400
            7   N1b N     9.2560  -14.1290
            8   C1b C    10.4612  -14.8247
            9   C1y C    11.6435  -14.1419
            10  C1x C    12.8375  -14.8312
            11  C1x C    14.0499  -14.1312
            12  N1y N    14.0499  -12.7312
            13  C1x C    12.8560  -12.0419
            14  C1x C    11.6435  -12.7419
            15  C5a C    15.2734  -12.0246
            16  C2b C    16.4824  -12.7225
            17  C2a C    17.6629  -12.0408
            18  O5a O    15.2732  -10.6401
            19  C8y C     9.2560  -16.9510
            20  C8x C     9.2557  -18.3399
            21  C8x C    10.4680  -19.0402
            22  C8y C    11.6806  -18.3405
            23  C8x C    11.6809  -16.9516
            24  C8x C    10.4686  -16.2513
            25  O2a O    12.8997  -19.0447
            26  C8y C    14.0994  -18.3523
            27  C8x C    15.2843  -19.0367
            28  C8x C    16.4969  -18.3370
            29  C8x C    16.4972  -16.9370
            30  C8x C    15.3123  -16.2525
            31  C8x C    14.0997  -16.9523
            32  N1a N     6.8124  -18.3398
BOND        35
            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   12  13 1
            14   13  14 1
            15    9  14 1
            16   12  15 1
            17   15  16 1
            18   16  17 2
            19   15  18 2
            20    4  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   22  25 1
            28   25  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   26  31 1
            35    3  32 1

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