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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
2

Molecular Weight

534

Logarithm of the Partition Coefficient

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

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.