KEGG   DRUG: Rilzabrutinib
Entry
D11873                      Drug                                   
Name
Rilzabrutinib (JAN/USAN/INN);
Wayrilz (TN)
Product
WAYRILZ (Genzyme Corporation)
Formula
C36H40FN9O3
Exact mass
665.3238
Mol weight
665.76
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG02022  BTK inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Remark
Product: D11873<US>
Efficacy
Anti-inflammatory disease, Autoimmune disease treatment, Bruton's tyrosine kinase inhibitor
  Disease
Immune thrombocytopenia [DS:H01240]
Comment
Treatment of autoimmune and inflammatory diseases
Target
BTK [HSA:695] [KO:K07370]
  Pathway
hsa04064  NF-kappa B signaling pathway
hsa04611  Platelet activation
hsa04662  B cell receptor signaling pathway
hsa04664  Fc epsilon RI signaling pathway
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG02022  BTK inhibitor
    D11873  Rilzabrutinib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   D11873  Rilzabrutinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Non-receptor tyrosine kinases
   TEC family
    BTK
     D11873  Rilzabrutinib (JAN/USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11873
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11873
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11873
Other DBs
CAS: 1575591-66-0
PubChem: 433774548
PDB-CCD: R1L[PDBj]
LinkDB
KCF data

ATOM        49
            1   C8x C    12.5300  -18.6200
            2   N5x N    12.5300  -20.0200
            3   C8y C    13.7200  -20.7200
            4   C8y C    14.9800  -20.0200
            5   C8y C    14.9800  -18.6200
            6   N5x N    13.7200  -17.9200
            7   N1a N    13.7200  -22.1200
            8   C8y C    16.3100  -20.4400
            9   N5x N    17.0800  -19.3200
            10  N4y N    16.3100  -18.2000
            11  C8y C    17.5000  -21.1400
            12  C8x C    17.5000  -22.5400
            13  C8x C    18.7600  -23.2400
            14  C8y C    19.9500  -22.5400
            15  C8x C    19.9500  -21.1400
            16  C8y C    18.7600  -20.4400
            17  O2a O    21.1400  -23.2400
            18  C8y C    22.3300  -22.5400
            19  C8x C    23.5200  -23.2400
            20  C8x C    24.7800  -22.5400
            21  C8x C    24.7800  -21.1400
            22  C8x C    23.5900  -20.4400
            23  C8x C    22.3300  -21.1400
            24  C1y C    16.8000  -16.8700
            25  C1x C    18.2000  -16.5900
            26  N1y N    18.6200  -15.2600
            27  C1x C    17.7100  -14.2100
            28  C1x C    16.3100  -14.4900
            29  C1x C    15.8200  -15.8200
            30  C5a C    19.8100  -14.5600
            31  C2c C    21.0000  -15.2600
            32  O5a O    19.8100  -13.1600
            33  C2b C    22.1900  -14.5600
            34  X   F    18.7600  -19.0400
            35  C3b C    21.0000  -16.6600
            36  N3a N    21.0000  -18.0600
            37  C1d C    23.3800  -15.2600
            38  N1y N    24.5700  -14.5600
            39  C1x C    24.5700  -13.1600
            40  C1x C    25.7600  -12.4600
            41  N1y N    27.0200  -13.1600
            42  C1x C    27.0200  -14.5600
            43  C1x C    25.8300  -15.2600
            44  C1y C    28.2100  -12.4600
            45  C1x C    28.5600  -11.1300
            46  O2x O    29.8900  -11.4800
            47  C1x C    29.5400  -12.7400
            48  C1a C    24.0800  -16.4500
            49  C1a C    22.6800  -16.4500
BOND        55
            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     3   7 1
            8     4   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   14  17 1
            20   17  18 1
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   18  23 1
            27   24  10 1 #Down
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   24  29 1
            34   30  31 1
            35   30  26 1
            36   30  32 2
            37   31  33 2
            38   16  34 1
            39   31  35 1
            40   35  36 3
            41   33  37 1
            42   37  38 1
            43   38  39 1
            44   39  40 1
            45   40  41 1
            46   41  42 1
            47   42  43 1
            48   38  43 1
            49   41  44 1
            50   44  45 1
            51   45  46 1
            52   46  47 1
            53   44  47 1
            54   37  48 1
            55   37  49 1

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