KEGG   DRUG: EliglustatHelp
Entry
D09893                      Drug                                   

Name
Eliglustat (USAN/INN)
Formula
C23H36N2O4
Exact mass
404.2675
Mol weight
404.5429
Structure
Mol fileKCF fileDB search
Class
Enzyme substrate
 DG01644  CYP2D6 substrate
Transporter substrate
 DG01665  ABCB1(P-GP) substrate
Remark
ATC code: A16AX10
Chemical structure group: DG00148
Product (DG00148): D09894<JP/US>
Efficacy
Glucosylceramide synthase inhibitor
Comment
Treatment of lysosomal storage disorders
Target
UGCG [HSA:7357] [KO:K00720]
  Pathway
hsa00600  Sphingolipid metabolism
Metabolism
Enzyme: CYP2D6 [HSA:1565]; CYP3A4 [HSA:1576]
Transporter: ABCB1 [HSA:5243]
Interaction
Drug 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
      D09893  Eliglustat (USAN/INN)
USP drug classification [BR:br08302]
 Genetic or Enzyme Disorder: Replacement, Modifiers, Treatment
  Eliglustat
   D09893  Eliglustat (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Hexosyltransferases
    UGCG
     D09893  Eliglustat (USAN/INN)
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and germline mutations
  D09893
BRITE hierarchy
Other DBs
CAS: 491833-29-5
PubChem: 135626642
ChEBI: 82752
ChEMBL: CHEMBL2110588
LigandBox: D09893
LinkDB All DBs
KCF data Show

ATOM        29
            1   C8y C    31.6400  -19.6700
            2   C8y C    31.6400  -21.0700
            3   O2x O    32.8300  -21.7700
            4   C1x C    34.0900  -21.0700
            5   C1x C    34.0900  -19.6700
            6   O2x O    32.8300  -18.9700
            7   C8x C    30.4500  -18.9700
            8   C8x C    29.1900  -19.6700
            9   C8y C    29.1900  -21.0700
            10  C8x C    30.4500  -21.7700
            11  C1c C    28.0000  -21.7700
            12  C1c C    26.8100  -21.0700
            13  N1b N    25.6200  -21.7700
            14  C1b C    26.8100  -19.6700
            15  C5a C    24.4300  -21.0700
            16  C1b C    23.2400  -21.7700
            17  O5a O    24.4300  -19.6700
            18  C1b C    22.0500  -21.0700
            19  C1b C    20.8600  -21.7700
            20  C1b C    19.6700  -21.0700
            21  C1b C    18.4800  -21.7700
            22  C1b C    17.2900  -21.0700
            23  C1a C    16.1000  -21.7700
            24  O1a O    28.0000  -23.1700
            25  C1x C    27.9300  -17.4300
            26  N1y N    27.9300  -18.8300
            27  C1x C    29.2600  -19.2500
            28  C1x C    30.1000  -18.1300
            29  C1x C    29.2600  -17.0100
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    2  10 2
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   12  14 1 #Down
            16   13  15 1
            17   15  16 1
            18   15  17 2
            19   16  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   11  24 1 #Up
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   25  29 1
            31   26  14 1

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