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KEGG   DRUG: Eliglustat tartrate
Entry
D09894                      Drug                                   
Name
Eliglustat tartrate (JAN/USAN);
Eliglustat hemitartrate;
Cerdelga (TN)
Product
CERDELGA (Genzyme Corporation)
Formula
(C23H36N2O4)2. C4H6O6
Exact mass
958.5515
Mol weight
959.17
Structure
Class
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Transporter substrate
 DG01665  ABCB1 substrate
Remark
Therapeutic category: 3999
ATC code: A16AX10
Chemical structure group: DG00148
Product (DG00148): D09894<JP/US>
Efficacy
Lysosomal storage disease treatment, Glucosylceramide synthase inhibitor
  Disease
Gaucher disease type 1 [DS:H00126]
Target
UGCG [HSA:7357] [KO:K00720]
  Pathway
hsa00600  Sphingolipid metabolism
  Network
nt06014  Sphingolipid degradation
Metabolism
Enzyme: CYP2D6 [HSA:1565]; CYP3A4 [HSA:1576]
Transporter: ABCB1 [HSA:5243]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A16 OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
   A16A OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
    A16AX Various alimentary tract and metabolism products
     A16AX10 Eliglustat
      D09894  Eliglustat tartrate (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Genetic, Enzyme, or Protein Disorder: Replacement, Modifiers, Treatment
  Eliglustat
   D09894  Eliglustat tartrate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D09894  Eliglustat tartrate (JAN/USAN)
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00148  Eliglustat
    D09894  Eliglustat tartrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00148  Eliglustat
     D09894  Eliglustat tartrate
 Transporter substrate
  DG01665  ABCB1 substrate
   DG00148  Eliglustat
    D09894  Eliglustat tartrate
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Hexosyltransferases
    UGCG
     D09894  Eliglustat tartrate (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D09894
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09894
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D09894
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09894
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D09894
 Drug transporters
  D09894
Pharmacogenomic biomarkers [br08341.html]
 Germline mutations in genetic disorder treatments
  D09894
Drug groups [BR:br08330]
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00148  Eliglustat
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00148  Eliglustat
 Transporter substrate
  DG01665  ABCB1 substrate
   DG00148  Eliglustat
Other DBs
CAS: 928659-70-5
PubChem: 135626643
ChEBI: 83353
LigandBox: D09894
LinkDB
KCF data

ATOM        68
            1   C6a C    32.0600  -24.9200
            2   C1c C    33.2500  -25.6200
            3   O6a O    30.8700  -25.6200
            4   C1c C    34.4400  -24.9200
            5   C6a C    35.6300  -25.6200
            6   O6a O    36.8200  -24.9200
            7   O6a O    32.0600  -23.5200
            8   O6a O    35.6300  -27.0200
            9   O1a O    33.2500  -27.0200
            10  O1a O    34.4400  -23.5200
            11  C8y C    25.6900  -25.2000
            12  C8y C    25.6900  -26.6000
            13  O2x O    26.8800  -27.3000
            14  C1x C    28.1400  -26.6000
            15  C1x C    28.1400  -25.2000
            16  O2x O    26.8800  -24.5000
            17  C8x C    24.5000  -24.5000
            18  C8x C    23.2400  -25.2000
            19  C8y C    23.2400  -26.6000
            20  C8x C    24.5000  -27.3000
            21  C1c C    22.0500  -27.3000
            22  C1c C    20.8600  -26.6000
            23  N1b N    19.6700  -27.3000
            24  C1b C    20.8600  -25.2000
            25  C5a C    18.4800  -26.6000
            26  C1b C    17.2900  -27.3000
            27  O5a O    18.4800  -25.2000
            28  C1b C    16.1000  -26.6000
            29  C1b C    14.9100  -27.3000
            30  C1b C    13.7200  -26.6000
            31  C1b C    12.5300  -27.3000
            32  C1b C    11.3400  -26.6000
            33  C1a C    10.1500  -27.3000
            34  O1a O    22.0500  -28.7000
            35  C1x C    21.9800  -22.9600
            36  N1y N    21.9800  -24.3600
            37  C1x C    23.3100  -24.7800
            38  C1x C    24.1500  -23.6600
            39  C1x C    23.3100  -22.5400
            40  C8y C    25.6900  -25.2000
            41  C8y C    25.6900  -26.6000
            42  O2x O    26.8800  -27.3000
            43  C1x C    28.1400  -26.6000
            44  C1x C    28.1400  -25.2000
            45  O2x O    26.8800  -24.5000
            46  C8x C    24.5000  -27.3000
            47  C8y C    23.2400  -26.6000
            48  C8x C    23.2400  -25.2000
            49  C8x C    24.5000  -24.5000
            50  C1c C    22.0500  -27.3000
            51  C1c C    20.8600  -26.6000
            52  N1b N    19.6700  -27.3000
            53  C5a C    18.4800  -26.6000
            54  C1b C    17.2900  -27.3000
            55  C1b C    16.1000  -26.6000
            56  C1b C    14.9100  -27.3000
            57  C1b C    13.7200  -26.6000
            58  C1b C    12.5300  -27.3000
            59  C1b C    11.3400  -26.6000
            60  C1a C    10.1500  -27.3000
            61  O5a O    18.4800  -25.2000
            62  C1b C    20.8600  -25.2000
            63  N1y N    21.9800  -24.3600
            64  C1x C    21.9800  -22.9600
            65  C1x C    23.3100  -22.5400
            66  C1x C    24.1500  -23.6600
            67  C1x C    23.3100  -24.7800
            68  O1a O    22.0500  -28.7000
BOND        71
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     4   5 1
            5     5   6 1
            6     1   7 2
            7     5   8 2
            8     2   9 1 #Up
            9     4  10 1 #Up
            10   11  12 1
            11   12  13 1
            12   13  14 1
            13   14  15 1
            14   15  16 1
            15   11  16 1
            16   11  17 2
            17   17  18 1
            18   18  19 2
            19   19  20 1
            20   12  20 2
            21   19  21 1
            22   21  22 1
            23   22  23 1
            24   22  24 1 #Down
            25   23  25 1
            26   25  26 1
            27   25  27 2
            28   26  28 1
            29   28  29 1
            30   29  30 1
            31   30  31 1
            32   31  32 1
            33   32  33 1
            34   21  34 1 #Up
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   38  39 1
            39   35  39 1
            40   36  24 1
            41   40  41 1
            42   41  42 1
            43   42  43 1
            44   43  44 1
            45   44  45 1
            46   40  45 1
            47   40  49 2
            48   49  48 1
            49   48  47 2
            50   47  46 1
            51   41  46 2
            52   47  50 1
            53   50  51 1
            54   51  52 1
            55   51  62 1 #Down
            56   52  53 1
            57   53  54 1
            58   53  61 2
            59   54  55 1
            60   55  56 1
            61   56  57 1
            62   57  58 1
            63   58  59 1
            64   59  60 1
            65   50  68 1 #Up
            66   64  63 1
            67   63  67 1
            68   67  66 1
            69   66  65 1
            70   64  65 1
            71   63  62 1
BRACKET     1     7.9800  -29.4000    7.9800  -21.2800
            1    28.4900  -21.2800   28.4900  -29.4000
            1  2
 ORIGINAL  1   11  12  13  14  15  16  20  19  18  17  21  22  23  25  26  28
            1   29  30  31  32  33  27  24  36  35  39  38  37  34
 REPEAT    1   40  41  42  43  44  45  46  47  48  49  50  51  52  53  54  55
            1   56  57  58  59  60  61  62  63  64  65  66  67  68

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