KEGG   DRUG: Omaveloxolone
Entry
D10964                      Drug                                   
Name
Omaveloxolone (USAN/INN);
Skyclarys (TN)
Product
SKYCLARYS (Biogen), SKYCLARYS (Reata Pharmaceuticals)
Formula
C33H44F2N2O3
Exact mass
554.3320
Mol weight
554.71
Structure
Class
Metabolizing enzyme substrate
 DG02918  CYP2C8 substrate
 DG02954  CYP2J2 substrate
 DG01633  CYP3A/CYP3A4 substrate
Remark
ATC code: N07XX25
Product: D10964<US>
Efficacy
Anti-inflammatory, Nuclear factor erythroid 2-related factor 2 stimulant
  Disease
Friedreich's ataxia [DS:H00067]
Comment
Treatment of conditions involving oxidative stress and inflammation
Target
NFE2L2 [HSA:4780] [KO:K05638]
  Pathway
hsa04141  Protein processing in endoplasmic reticulum
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]; CYP2C8 [HSA:1558], CYP2J2 [HSA:1573]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07X OTHER NERVOUS SYSTEM DRUGS
    N07XX Other nervous system drugs
     N07XX25 Omaveloxolone
      D10964  Omaveloxolone (USAN/INN) <US>
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG02918  CYP2C8 substrate
   D10964  Omaveloxolone
  DG02954  CYP2J2 substrate
   D10964  Omaveloxolone
  DG01633  CYP3A/CYP3A4 substrate
   D10964  Omaveloxolone
Target-based classification of drugs [BR:br08310]
 Not elsewhere classified
  Genetic information processing
   Transcription factor
    NFE2L2
     D10964  Omaveloxolone (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10964
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10964
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10964
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10964
Other DBs
CAS: 1474034-05-3
PubChem: 342581813
ChEBI: 229661
LinkDB
KCF data

ATOM        40
            1   C2y C    14.3530  -17.6122
            2   C5x C    14.3530  -19.0181
            3   C1z C    15.5705  -19.7211
            4   C1y C    16.7882  -19.0181
            5   C1z C    16.7882  -17.6122
            6   C2x C    15.5705  -16.9092
            7   C1x C    18.0057  -19.7211
            8   C1x C    19.2233  -19.0181
            9   C1z C    19.2233  -17.6122
            10  C2y C    18.0057  -16.9092
            11  C1z C    20.4409  -16.9092
            12  C1y C    20.4409  -15.5033
            13  C5x C    19.2233  -14.8003
            14  C2x C    18.0057  -15.5033
            15  C1x C    21.6584  -17.6122
            16  C1x C    22.8760  -16.9092
            17  C1z C    22.8760  -15.5033
            18  C1y C    21.6584  -14.8003
            19  C1x C    24.0936  -14.8003
            20  C1x C    24.0936  -13.3944
            21  C1z C    22.8760  -12.6914
            22  C1x C    21.6584  -13.3944
            23  C1a C    22.1730  -11.4739
            24  C1a C    23.5789  -11.4739
            25  N1b N    24.0936  -16.2062
            26  C1a C    19.2233  -16.4874
            27  C1a C    20.4409  -18.3151
            28  C1a C    16.7882  -16.2062
            29  O5x O    19.2233  -13.3944
            30  O5x O    13.1355  -19.7211
            31  C3b C    13.1355  -16.9092
            32  N3a N    11.9178  -16.2062
            33  C1a C    14.8676  -20.9386
            34  C1a C    16.2735  -20.9386
            35  C5a C    25.2924  -15.5400
            36  C1d C    26.5049  -16.2400
            37  C1a C    27.7173  -15.5400
            38  O5a O    25.3039  -14.1404
            39  X   F    25.8049  -17.4524
            40  X   F    27.2049  -17.4524
BOND        44
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 2
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   12  18 1
            22   17  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   18  22 1
            27   21  23 1
            28   21  24 1
            29   17  25 1 #Up
            30    9  26 1 #Up
            31   11  27 1 #Down
            32    5  28 1 #Up
            33   13  29 2
            34    2  30 2
            35    1  31 1
            36   31  32 3
            37    3  33 1
            38    3  34 1
            39   25  35 1
            40   35  36 1
            41   36  37 1
            42   35  38 2
            43   36  39 1
            44   36  40 1

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