Details of the Drug

General Information of Drug (ID: DMG2YBD)

• Drug Name: Trifluridine
• Synonyms: Fluridine; TFDU; TRIFLUOROTHYMIDINE; Trifluoridine; Trifluoromethyldeoxyuridine; Trifluridina; Trifluridinum; Virophta; Viroptic; Trifluorothymine deoxyriboside; CF3dUrd; F3DThd; F3T; F3TDR; HS-0007; Trifluridina [INN-Spanish]; Trifluridine [USAN:INN]; Trifluridinum [INN-Latin]; Viroptic (TN); Trifluridine (USP/INN);Viroptic, Trifluorothymidine, Trifluridine; Alpha,alpha,alpha-Trifluorothymidine; 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione; 2'-Deoxy-5-(trifluoromethyl)uridine; 2'-Deoxy-5-trifluoromethyluridine; 5-(Trifluoromethyl)-2'-deoxyuridine; 5-(Trifluoromethyl)deoxyuridine; 5-Trifluoro-2'-deoxythymidine; 5-Trifluoromethyl-2'-deoxyuridine; 5-Trifluoromethyl-2-deoxyuridine; 5-Trifluorothymidine

Indication

Disease Entry	ICD 11	Status	REF
Virus infection	1A24-1D9Z	Approved	[1], [2]

• Therapeutic Class: Antiviral Agents
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 296.2
  Topological Polar Surface Area (xlogp); -0.5
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 8
• ADMET Property:
  Clearance: The apparent oral clearance of drug is 10.5 L/h [3]
  Elimination: About 55% of the total recovered radio-labelled trifluridine was detected in the urine within 24 hours [3]
  Half-life: The concentration or amount of drug in body reduced by one-half in 12 - 18 minutes [4]
  Metabolism: The drug is metabolized via thymidine phosphorylase (TPase) to form an inactive metabolite, 5-(trifluoromethyl) uracil (FTY) [5]
  Vd: The volume of distribution (Vd) of drug is 21 L [3]
• Chemical Identifiers:
  Formula: C10H11F3N2O5
  IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
  Canonical SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)O
  InChI: InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1
  InChIKey: VSQQQLOSPVPRAZ-RRKCRQDMSA-N
• Cross-matching ID:
  PubChem CID: 6256
  ChEBI ID: CHEBI:75179
  CAS Number: 70-00-8
  DrugBank ID: DB00432
  TTD ID: D05RHI
  VARIDT ID: DR00096
  INTEDE ID: DR1643

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Candida Thymidylate synthase (Candi TMP1)	TTU6BFZ	TYSY_CANAL	Inhibitor	[6]

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Equilibrative nucleoside transporter 2 (SLC29A2)	DTW78DQ	S29A2_HUMAN	Substrate	[7]
Concentrative nucleoside transporter 1 (SLC28A1)	DT0EQPW	S28A1_HUMAN	Substrate	[7]
Equilibrative nucleoside transporter 1 (SLC29A1)	DTXD1TQ	S29A1_HUMAN	Substrate	[7]
Organic anion transporter 1 (SLC22A6)	DTQ23VB	S22A6_HUMAN	Substrate	[8]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Thymidine phosphorylase (TYMP) Main DME	DE4HCYL	TYPH_HUMAN	Substrate	[9]

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Same Disease as Trifluridine

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Disease	REF
Ganciclovir	DM1MBYQ	Moderate	Additive myelosuppressive effects by the combination of Trifluridine and Ganciclovir.	Virus infection [1A24-1D9Z]	[42]
Valganciclovir	DMS2IUH	Moderate	Additive myelosuppressive effects by the combination of Trifluridine and Valganciclovir.	Virus infection [1A24-1D9Z]	[42]

Coadministration of a Drug Treating the Disease Different from Trifluridine (Comorbidity)

DDI Drug Name	DDI Drug ID	Severity	Mechanism	Comorbidity	REF
Roflumilast	DMPGHY8	Moderate	Additive immunosuppressive effects by the combination of Trifluridine and Roflumilast.	Asthma [CA23]	[43]
Teriflunomide	DMQ2FKJ	Major	Additive immunosuppressive effects by the combination of Trifluridine and Teriflunomide.	Hyper-lipoproteinaemia [5C80]	[44]
Tecfidera	DM2OVDT	Moderate	Additive immunosuppressive effects by the combination of Trifluridine and Tecfidera.	Multiple sclerosis [8A40]	[45]
Siponimod	DM2R86O	Major	Additive immunosuppressive effects by the combination of Trifluridine and Siponimod.	Multiple sclerosis [8A40]	[42]
Fingolimod	DM5JVAN	Major	Additive immunosuppressive effects by the combination of Trifluridine and Fingolimod.	Multiple sclerosis [8A40]	[46]
Ocrelizumab	DMEZ2KH	Moderate	Additive immunosuppressive effects by the combination of Trifluridine and Ocrelizumab.	Multiple sclerosis [8A40]	[47]
Ozanimod	DMT6AM2	Major	Additive immunosuppressive effects by the combination of Trifluridine and Ozanimod.	Multiple sclerosis [8A40]	[43]
Omacetaxine mepesuccinate	DMPU2WX	Moderate	Additive immunosuppressive effects by the combination of Trifluridine and Omacetaxine mepesuccinate.	Myeloproliferative neoplasm [2A20]	[48]
Canakinumab	DM8HLO5	Moderate	Additive immunosuppressive effects by the combination of Trifluridine and Canakinumab.	Rheumatoid arthritis [FA20]	[49]
Rilonacept	DMGLUQS	Moderate	Additive immunosuppressive effects by the combination of Trifluridine and Rilonacept.	Rheumatoid arthritis [FA20]	[49]
Golimumab	DMHZV7X	Major	Additive immunosuppressive effects by the combination of Trifluridine and Golimumab.	Rheumatoid arthritis [FA20]	[50]
Leflunomide	DMR8ONJ	Major	Additive immunosuppressive effects by the combination of Trifluridine and Leflunomide.	Rheumatoid arthritis [FA20]	[44]
Azathioprine	DMMZSXQ	Moderate	Additive immunosuppressive effects by the combination of Trifluridine and Azathioprine.	Transplant rejection [NE84]	[42]

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