Details of the Drug

General Information of Drug (ID: DMSRZAO)

Drug Name
Eliglustat tartrate
Synonyms Fabrazyme (TN)
Indication
Disease Entry ICD 11 Status REF
Metabolic disorder 5C50-5D2Z Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
4		 Molecular Weight 959.2
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 25
Hydrogen Bond Donor Count 8
Hydrogen Bond Acceptor Count 16
ADMET Property
Clearance
The drug present in the plasma can be removed from the body at the rate of 20.95 mL/min/kg [2]
Half-life
The concentration or amount of drug in body reduced by one-half in 7.7 hours [2]
Unbound Fraction
The unbound fraction of drug in plasma is 0.21% [2]
Chemical Identifiers
Formula
C50H78N4O14
IUPAC Name
N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]octanamide;(2R,3R)-2,3-dihydroxybutanedioic acid
Canonical SMILES
CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@@H](C2=CC3=C(C=C2)OCCO3)O.CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@@H](C2=CC3=C(C=C2)OCCO3)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI
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
Cross-matching ID
PubChem CID
52918379
ChEBI ID
CHEMBL83353
CAS Number
928659-70-5
TTD ID
D0J8IJ
VARIDT ID
DR00220
INTEDE ID
DR0567

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Ceramide glucosyltransferase (UGCG) TTPHEX3 CEGT_HUMAN Modulator [1]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
P-glycoprotein 1 (ABCB1) DTUGYRD MDR1_HUMAN Substrate [3]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Substrate [4]
Cytochrome P450 2D6 (CYP2D6) DECB0K3 CP2D6_HUMAN Substrate [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 2014 FDA drug approvals. Nat Rev Drug Discov. 2015 Feb;14(2):77-81.
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 KEGG: new perspectives on genomes, pathways, diseases and drugs. Nucleic Acids Res. 2017 Jan 4;45(D1):D353-D361. (dg:DG01665)
4 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.
5 Eliglustat: first global approval. Drugs. 2014 Oct;74(15):1829-36.