Details of the Drug

General Information of Drug (ID: DMZARP1)

• Drug Name: FV-100
• Synonyms: CF-1001; CF-1094; CF-1368; CF-1369; CF-1449; CF-1452; CF-1698; CF-1712; CF-1743; CF-1821; CF-1835; CF-1837; CF-1838; CF-1851; CF-2004; CF-2160; CF-2161; CF-2200; BCNAs (antiviral), FermaVir Pharmaceuticals; Bicyclic nucleoside analogs (VZV infection), FermaVir; Bicyclic nucleoside analogs (VZV infection), Inhibitex; Antivirals (nucleoside derivatives), Welsh School of Pharmacy/Rega; BCNAs (antiviral), Rega/Welsh School of Pharmacy; Bicyclic nucleoside analogs (antiviral), Rega/Welsh School of Pharmacy

Indication

Disease Entry	ICD 11	Status	REF
Varicella zoster virus infection	1E91	Phase 3	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight; 534
  Topological Polar Surface Area; Not Available
  Rotatable Bond Count; 11
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 7
• Chemical Identifiers:
  Formula: C27H36ClN3O6
  IUPAC Name: [(2R,3S,5R)-3-hydroxy-5-[2-oxo-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-3-yl]oxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate;hydrochloride
  Canonical SMILES: CCCCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)N=C3O2)[C@H]4C[C@@H]([C@H](O4)COC(=O)[C@H](C(C)C)N)O.Cl
  InChI: InChI=1S/C27H35N3O6.ClH/c1-4-5-6-7-17-8-10-18(11-9-17)21-12-19-14-30(27(33)29-25(19)36-21)23-13-20(31)22(35-23)15-34-26(32)24(28)16(2)3;/h8-12,14,16,20,22-24,31H,4-7,13,15,28H2,1-3H3;1H/t20-,22+,23+,24-;/m0./s1
  InChIKey: CAHTYTZOAVUCIU-ZMQZINMSSA-N
• Cross-matching ID:
  PubChem CID: 71587897
  CAS Number: 956483-03-7
  TTD ID: D04QPD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Thymidine kinase 1 (TK1)	TTP3QRF	KITH_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Varicella zoster virus infection
• ICD Disease Classification: 1E91

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Thymidine kinase 1 (TK1)	DTT	TK1	1.14E-03	0.26	0.75

References

• [1] ClinicalTrials.gov (NCT02412917) A Comparative Study of FV-100 vs. Valacyclovir for the Prevention of Post-Herpetic Neuralgia. U.S. National Institutes of Health.
• [2] Specific recognition of the bicyclic pyrimidine nucleoside analogs, a new class of highly potent and selective inhibitors of varicella-zoster virus (VZV), by the VZV-encoded thymidine kinase. Mol Pharmacol. 2002 Feb;61(2):249-54.
• [3] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [4] Species- or isozyme-specific enzyme inhibitors. 5. Differential effects of thymidine substituents on affinity for rat thymidine kinase isozymes. J Med Chem. 1982 Jun;25(6):644-9.
• [5] Company report (Takara Bio)
• [6] Pronounced antitumor effects and tumor radiosensitization of double suicide gene therapy. Clin Cancer Res. 1997 Nov;3(11):2081-8.
• [7] DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.
• [8] Induction of the Epstein-Barr virus thymidine kinase gene with concomitant nucleoside antivirals as a therapeutic strategy for Epstein-Barr virus-associated malignancies. Curr Opin Oncol. 2001 Sep;13(5):360-7.
• [9] Trichomonas vaginalis thymidine kinase: purification, characterization and search for inhibitors. Biochem J. 1998 Aug 15;334 ( Pt 1):15-22.
• [10] Phase I dose escalation clinical trial of adenovirus vector carrying osteocalcin promoter-driven herpes simplex virus thymidine kinase in localized and metastatic hormone-refractory prostate cancer. Hum Gene Ther. 2003 Feb 10;14(3):227-41.
• [11] Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
• [12] Sitimagene ceradenovec: a gene-based drug for the treatment of operable high-grade glioma. Future Oncol. 2010 Nov;6(11):1691-710.