Details of the Drug

General Information of Drug (ID: DMAEB9O)

Drug Name

Valomaciclovir stearate

Synonyms

Omaciclovir; Valomaciclovir; A 174606.0; A 182091.0; ABT-091; ABT-606; Anti-VZV drug; EPB-348; MIV-606; RP-606; A-174606.6; ABT-182091.0; 2HM-HBG

Indication

Disease Entry	ICD 11	Status	REF
Varicella zoster virus infection	1E91	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

618.9

Logarithm of the Partition Coefficient (xlogp)

8.1

Rotatable Bond Count (rotbonds)

27

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C33H58N6O5
IUPAC Name: [(2R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-2-[(2-amino-6-oxo-1H-purin-9-yl)methyl]butyl] octadecanoate
Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CCOC(=O)[C@H](C(C)C)N)CN1C=NC2=C1N=C(NC2=O)N
InChI: InChI=1S/C33H58N6O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(40)44-23-26(20-21-43-32(42)28(34)25(2)3)22-39-24-36-29-30(39)37-33(35)38-31(29)41/h24-26,28H,4-23,34H2,1-3H3,(H3,35,37,38,41)/t26-,28+/m1/s1
InChIKey: ACBSZTQIFTYFGH-IAPPQJPRSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Herpes simplex virus DNA polymerase UL30 (HSV UL30)	TTIU7X1	DPOL_HHV11	Modulator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT00831103) A Phase 2b Trial of EPB-348 for the Treatment of Herpes Zoster. U.S. National Institutes of Health.
2	Progress in the Development of New Therapies for Herpesvirus Infections. Curr Opin Virol. 2011 December 1; 1(6): 548-554.