Details of the Drug

General Information of Drug (ID: DMNXLOT)

Drug Name

ALAMIFOVIR

Synonyms

LY-582563; MCC-478; Alamifovir; 2-[2-Amino-6-(4-methoxyphenylsulfanyl)-9H-purin-9-yl]ethoxymethylphosphonic acid bis(2,2,2-trifluoroethyl) diester

Indication

Disease Entry	ICD 11	Status	REF
Virus infection	1A24-1D9Z	Phase 1/2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

575.4

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

12

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

16

Chemical Identifiers

Formula: C19H20F6N5O5PS
IUPAC Name: 9-[2-[bis(2,2,2-trifluoroethoxy)phosphorylmethoxy]ethyl]-6-(4-methoxyphenyl)sulfanylpurin-2-amine
Canonical SMILES: COC1=CC=C(C=C1)SC2=NC(=NC3=C2N=CN3CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)N
InChI: InChI=1S/C19H20F6N5O5PS/c1-32-12-2-4-13(5-3-12)37-16-14-15(28-17(26)29-16)30(10-27-14)6-7-33-11-36(31,34-8-18(20,21)22)35-9-19(23,24)25/h2-5,10H,6-9,11H2,1H3,(H2,26,28,29)
InChIKey: VDBGPMJFHCJMOL-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hepatitis B virus Reverse transcriptase priming/DNA synthesis (HBV RTP/DS)	TTMR83K	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Koinfektion Hepatitis und HIV, Stefan Mauss. Page(75).
2	Noncompetitive Inhibition of Hepatitis B Virus Reverse Transcriptase Protein Priming and DNA Synthesis by the Nucleoside Analog Clevudine. Correction in: Antimicrob Agents Chemother. 2013 November; 57(11): 5788.