KEGG   DRUG: Sebetralstat
Entry
D12396                      Drug                                   
Name
Sebetralstat (JAN/USAN/INN);
Ekterly (TN)
Product
EKTERLY (KalVista Pharmaceuticals)
Formula
C26H26FN5O4
Exact mass
491.1969
Mol weight
491.51
Structure
Class
Metabolizing enzyme substrate
 DG02918  CYP2C8 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
ATC code: B06AC08
Product: D12396<US>
Efficacy
Antiangioedema, Plasma kallikrein inhibitor
  Disease
Hereditary angioedema [DS:H01006]
Comment
Treatment of attacks of hereditary angioedema
Target
KLKB1 [HSA:3818] [KO:K01324]
  Pathway
hsa04610  Complement and coagulation cascades
Metabolism
Enzyme: CYP3A4 [HSA:1576]; CYP2C8 [HSA:1558]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B06 OTHER HEMATOLOGICAL AGENTS
   B06A OTHER HEMATOLOGICAL AGENTS
    B06AC Drugs used in hereditary angioedema
     B06AC08 Sebetralstat
      D12396  Sebetralstat (JAN/USAN/INN) <US>
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG02918  CYP2C8 substrate
   D12396  Sebetralstat
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D12396  Sebetralstat
Target-based classification of drugs [BR:br08310]
 Peptidases and inhibitors
  Serine peptidases
   Chymotrypsin family
    KLKB1
     D12396  Sebetralstat (JAN/USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D12396
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D12396
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D12396
Other DBs
CAS: 1933514-13-6
PubChem: 497620809
LinkDB
KCF data

ATOM        36
            1   C8x C     9.0300  -14.6300
            2   C8x C     9.0300  -16.0300
            3   C8x C    10.2200  -16.7300
            4   N4y N    11.4800  -16.0300
            5   C8y C    11.4800  -14.6300
            6   C8x C    10.2200  -13.9300
            7   O5x O    12.6700  -13.9300
            8   C1b C    12.6700  -16.7300
            9   C8y C    13.8600  -16.0300
            10  C8x C    15.0500  -16.7300
            11  C8x C    16.3100  -16.0300
            12  C8y C    16.3100  -14.6300
            13  C8x C    15.1200  -13.9300
            14  C8x C    13.8600  -14.6300
            15  C1b C    17.5000  -13.9300
            16  N4y N    18.6900  -14.6300
            17  N5x N    19.1100  -15.9600
            18  C8y C    20.5800  -15.9600
            19  C8y C    21.0000  -14.6300
            20  C8x C    19.8800  -13.7900
            21  C5a C    22.1900  -13.9300
            22  N1b N    23.3800  -14.6300
            23  O5a O    22.1900  -12.5300
            24  C1b C    24.5700  -13.9300
            25  C8y C    25.7600  -14.6300
            26  C8y C    25.7600  -16.0300
            27  C8y C    26.9500  -16.7300
            28  C8x C    28.2100  -16.0300
            29  C8x C    28.2100  -14.6300
            30  N5x N    27.0200  -13.9300
            31  X   F    24.5700  -16.7300
            32  O2a O    26.9500  -18.1300
            33  C1a C    25.7600  -18.8300
            34  C1b C    21.4200  -17.0800
            35  O2a O    20.8600  -18.3400
            36  C1a C    21.7000  -19.4600
BOND        39
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     5   7 2
            8     4   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16   12  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   16  20 1
            23   21  22 1
            24   21  19 1
            25   21  23 2
            26   22  24 1
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   25  30 1
            34   26  31 1
            35   27  32 1
            36   32  33 1
            37   18  34 1
            38   34  35 1
            39   35  36 1

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