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

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]

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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.