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
• #Ro5 Violations (Lipinski): 4:
  Molecular Weight; 959.2
  Topological Polar Surface Area; 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: CHEBI:83353
  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]

References

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• [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.
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• [22] Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007.
• [23] MDR1 (ABCB1) G1199A (Ser400Asn) polymorphism alters transepithelial permeability and sensitivity to anticancer agents. Cancer Chemother Pharmacol. 2009 Jun;64(1):183-8.
• [24] Mammalian drug efflux transporters of the ATP binding cassette (ABC) family in multidrug resistance: A review of the past decade. Cancer Lett. 2016 Jan 1;370(1):153-64.
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