Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR0567)
Drug Name
Eliglustat tartrate
Synonyms
Eliglustat (Tartrate); Eliglustat (hemitartrate); Eliglustat hemitartrate(Genz-99067); Eliglustat tartrate (JAN/USAN); Eliglustat tartrate [USAN]; Genz 112638; HY-14885A; N0493335P3; Octanamide, N-((1R,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxy-1-(1- pyrrolidinylmethyl)ethyl)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1); SB16832; UNII-N0493335P3; Eliglustat L-tartrate; Eliglustat hemitartrate; 928659-70-5; CHEBI:83353; CS-5423; Cerdelga; Cerdelga (TN); DTXSID50239166; EX-A2301-1
Indication Gaucher disease [ICD11: 5C56] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 959.2 Topological Polar Surface Area 257
Heavy Atom Count 68 Rotatable Bond Count 25
Hydrogen Bond Donor Count 8 Hydrogen Bond Acceptor Count 16
Cross-matching ID
PubChem CID
52918379
PubChem SID
123055388 ; 135264656 ; 135626643 ; 198956158 ; 210024103 ; 223447916
ChEBI ID
CHEBI:83353
CAS Number
104138-64-9
TTD Drug ID
D0J8IJ
Formula
C50H78N4O14
Canonical SMILES
CCCCCCCC(=O)NC(CN1CCCC1)C(C2=CC3=C(C=C2)OCCO3)O.CCCCCCCC(=O)NC(CN1CCCC1)C(C2=CC3=C(C=C2)OCCO3)O.C(C(C(=O)O)O)(C(=O)O)O
InChI
1S/2C23H36N2O4.C4H6O6/c2*1-2-3-4-5-6-9-22(26)24-19(17-25-12-7-8-13-25)23(27)18-10-11-20-21(16-18)29-15-14-28-20;5-1(3(7)8)2(6)4(9)10/h2*10-11,16,19,23,27H,2-9,12-15,17H2,1H3,(H,24,26);1-2,5-6H,(H,7,8)(H,9,10)/t2*19-,23-;1-,2-/m111/s1
InChIKey
KUBARPMUNHKBIQ-VTHUDJRQSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Genz-256416 DM006378 N. A. Oxidation - Oxidationn 1 [4]
Genz-258179 DM006385 N. A. Oxidation - Oxidationn 1 [4]
Genz-311752 DM006382
165412077
Oxidation - Oxidationn 1 [4]
Genz-258162 DM006379 N. A. Oxidation - Oxidationn 2 [4]
Genz-399240 DM006380 N. A. Oxidation - Oxidationn 2 [4]
Genz-527862 DM006383 N. A. Oxidation - Oxidationn 2 [4]
Genz-682042 DM006384 N. A. Oxidation - Oxidationn 2 [4]
Genz-399207 DM006381
156613688
Oxidation - Oxidationn 3 [4]
Genz-399240 DM006380 N. A. Oxidation - Oxidationn 3 [4]
Genz-682042 DM006384 N. A. Oxidation - Oxidationn 3 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006851 Eliglustat tartrate Genz-256416 Oxidation - Oxidationn CYP3A4 ... [4]
MR006855 Eliglustat tartrate Genz-311752 Oxidation - Oxidationn CYP3A4 ... [4]
MR006859 Eliglustat tartrate Genz-258179 Oxidation - Oxidationn CYP3A4 [4]
MR006852 Genz-256416 Genz-258162 Oxidation - Oxidationn CYP2D6 [4]
MR006860 Genz-258179 Genz-682042 Oxidation - Oxidationn Unclear [4]
MR006861 Genz-258179 Genz-399240 Oxidation - Oxidationn Unclear [4]
MR006856 Genz-311752 Genz-527862 Oxidation - Oxidationn CYP3A4 [4]
MR006853 Genz-258162 Genz-399240 Oxidation - Oxidationn Unclear [4]
MR006854 Genz-258162 Genz-399207 Oxidation - Oxidationn Unclear [4]
MR006857 Genz-527862 Genz-682042 Oxidation - Oxidationn Unclear [4]
MR006858 Genz-527862 Genz-399240 Oxidation - Oxidationn Unclear [4]
⏷ Show the Full List of 11 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
References
1 Eliglustat Tartrate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Eliglustat: first global approval. Drugs. 2014 Oct;74(15):1829-36.
3 Substrates, inducers, inhibitors and structure-activity relationships of human Cytochrome P450 2C9 and implications in drug development. Curr Med Chem. 2009;16(27):3480-675.
4 #N/A

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