KEGG   DRUG: Brensocatib hydrate
Entry
D12746                      Drug                                   
Name
Brensocatib hydrate (JAN);
Brinsupri (TN)
Formula
C23H24N4O4. H2O
Exact mass
438.1903
Mol weight
438.48
Structure
Class
Metabolizing enzyme substrate
 DG02918  CYP2C8 substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Chemical structure group: DG03287
Efficacy
Lung disease therapeutic agent, Cathepsin C inhibitor
Comment
Treatment of non-cystic fibrosis bronchiectasis
Target
CTSC (DPP1) [HSA:1075] [KO:K01275]
  Pathway
hsa04142  Lysosome
hsa04210  Apoptosis
Metabolism
Enzyme: CYP3A4 [HSA:1576]; CYP2C8 [HSA:1558], CYP2D6 [HSA:1565]
Interaction
Brite
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG02918  CYP2C8 substrate
   DG03287  Brensocatib
    D12746  Brensocatib hydrate
  DG01644  CYP2D6 substrate
   DG03287  Brensocatib
    D12746  Brensocatib hydrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG03287  Brensocatib
     D12746  Brensocatib hydrate
Target-based classification of drugs [BR:br08310]
 Peptidases and inhibitors
  Cysteine peptidases
   Papain family
    CTSC (DPP1)
     D12746  Brensocatib hydrate (JAN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D12746
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D12746
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D12746
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG02918  CYP2C8 substrate
   DG03287  Brensocatib
  DG01644  CYP2D6 substrate
   DG03287  Brensocatib
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG03287  Brensocatib
Other DBs
PubChem: 497621159
LinkDB
KCF data

ATOM        32
            1   C8x C    22.0491  -13.1594
            2   C8y C    22.0491  -14.5594
            3   C8x C    23.2390  -15.2594
            4   C8y C    24.4990  -14.5594
            5   C8y C    24.4990  -13.1594
            6   C8x C    23.2390  -12.3895
            7   N4y N    25.8289  -14.9794
            8   C8y C    26.5989  -13.8594
            9   O7x O    25.8289  -12.7395
            10  O6a O    27.9988  -13.8594
            11  C8y C    20.8591  -15.2594
            12  C8x C    19.6692  -14.5594
            13  C8x C    18.4092  -15.2594
            14  C8y C    18.4092  -16.6593
            15  C8x C    19.5992  -17.3593
            16  C8x C    20.8591  -16.6593
            17  C1b C    17.1493  -17.3593
            18  C1c C    15.9593  -16.6593
            19  N1b N    14.7694  -17.3593
            20  C3b C    15.9593  -15.2594
            21  C5a C    13.5794  -16.6593
            22  C1y C    12.3895  -17.3593
            23  O5a O    13.5794  -15.2594
            24  O2x O    11.2695  -16.4493
            25  C1x C     9.9396  -16.7993
            26  C1x C     9.3096  -18.0592
            27  C1x C    12.3895  -18.7592
            28  C1x C     9.9396  -19.3192
            29  N1x N    11.2695  -19.5992
            30  N3a N    15.9593  -13.8594
            31  C1a C    26.2489  -16.3093
            32  O0  O    27.1600  -19.8800
BOND        34
            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 1
            9     8   9 1
            10    5   9 1
            11    8  10 2
            12    2  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 1
            22   18  20 1 #Down
            23   19  21 1
            24   22  21 1 #Down
            25   21  23 2
            26   25  26 1
            27   22  27 1
            28   26  28 1
            29   24  25 1
            30   27  29 1
            31   22  24 1
            32   28  29 1
            33   20  30 3
            34    7  31 1

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