Compounds > isothiafludine
Page last updated: 2024-11-13

isothiafludine

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Description

isothiafludine: antiviral (Hepatitis B virus); structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID23643979
CHEMBL ID3740028
SCHEMBL ID13437343
MeSH IDM000602860

Synonyms (10)

Synonym
SCHEMBL13437343
CHEMBL3740028
isothiafludine
n-(4-fluorobenzyl)-5-isobutyl-2,2'-bithiazole-4-carboxamide
960527-22-4
n-[(4-fluorophenyl)methyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
n-(4-fluorobenzyl)-5-isobutyl-[2,2'-bithiazole]-4-carboxamide
AKOS040748597
HY-111003
CS-0033942

Research Excerpts

Bioavailability

ExcerptReferenceRelevance
" In the end, these medicinal chemistry efforts led to the identification of multiple analogues strongly binding to Cp, potently inhibiting HBV replication in nanomolar range without cytotoxicity, and exhibiting good oral bioavailability (F)."( 5-Aminothiophene-2,4-dicarboxamide analogues as hepatitis B virus capsid assembly effectors.
Boschert, KN; Huber, AD; Kankanala, J; Pineda, DL; Sarafianos, SG; Tang, J; Wang, Z; Wolf, JJ; Xie, J, 2019)		0.51
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (27)

Assay IDTitleYearJournalArticle
AID1741387Binding affinity to recombinant HBV capsid protein assessed as response value at 12.5 uM by surface plasmon resonance analysis (Rvb = 14.56 No_unit)2020European journal of medicinal chemistry, Sep-15, Volume: 202Design, diversity-oriented synthesis and biological evaluation of novel heterocycle derivatives as non-nucleoside HBV capsid protein inhibitors.
AID1741379Selectivity index, ratio of CC50 for human HepG2.2.15 cells to IC50 for antiviral activity against HBV infected in human HepG2.2.15 cells assessed as reduction in HBeAg secretion2020European journal of medicinal chemistry, Sep-15, Volume: 202Design, diversity-oriented synthesis and biological evaluation of novel heterocycle derivatives as non-nucleoside HBV capsid protein inhibitors.
AID1330731Antiviral activity against Hepatitis B virus infected in human HepG2.2.15 cells assessed as inhibition of HBsAg secretion by ELISA2016European journal of medicinal chemistry, Nov-10, Volume: 123Design, synthesis and evaluation of pyrazole derivatives as non-nucleoside hepatitis B virus inhibitors.
AID1741378Antiviral activity against HBV infected in human HepG2.2.15 cells assessed as reduction in HBeAg secretion incubated for 4 days prior to compound washout followed by compound addition and measured after 4 days by ELISA2020European journal of medicinal chemistry, Sep-15, Volume: 202Design, diversity-oriented synthesis and biological evaluation of novel heterocycle derivatives as non-nucleoside HBV capsid protein inhibitors.
AID1741389Binding affinity to recombinant HBV capsid protein by surface plasmon resonance analysis2020European journal of medicinal chemistry, Sep-15, Volume: 202Design, diversity-oriented synthesis and biological evaluation of novel heterocycle derivatives as non-nucleoside HBV capsid protein inhibitors.
AID1330734Selectivity index, ratio of CC50 for human HepG2.2.15 cells to IC50 for Hepatitis B virus infected in human HepG2.2.15 cells assessed as inhibition of HBeAg secretion2016European journal of medicinal chemistry, Nov-10, Volume: 123Design, synthesis and evaluation of pyrazole derivatives as non-nucleoside hepatitis B virus inhibitors.
AID1613766Binding affinity to HBV dimeric capsid protein C150 mutant expressed in Escherichia coli BL21 (DE3) at 20 uM by Sypro orange staining based RT-PCR analysis2019European journal of medicinal chemistry, Feb-15, Volume: 1645-Aminothiophene-2,4-dicarboxamide analogues as hepatitis B virus capsid assembly effectors.
AID1741386Binding affinity to recombinant HBV capsid protein assessed as response value at 25 uM by surface plasmon resonance analysis (Rvb = 14.56 No_unit)2020European journal of medicinal chemistry, Sep-15, Volume: 202Design, diversity-oriented synthesis and biological evaluation of novel heterocycle derivatives as non-nucleoside HBV capsid protein inhibitors.
AID1741373Cytotoxicity against human HepG2.2.15 cells assessed as reduction in cell viability incubated for 4 days prior to compound washout followed by compound addition and measured after 4 days by CCK8 assay2020European journal of medicinal chemistry, Sep-15, Volume: 202Design, diversity-oriented synthesis and biological evaluation of novel heterocycle derivatives as non-nucleoside HBV capsid protein inhibitors.
AID1741366Cytotoxicity against human HepG2.2.15 cells assessed as reduction in cell viability incubated for 4 days prior to compound washout followed by compound addition and measured after 4 days by MTT assay2020European journal of medicinal chemistry, Sep-15, Volume: 202Design, diversity-oriented synthesis and biological evaluation of novel heterocycle derivatives as non-nucleoside HBV capsid protein inhibitors.
AID1741388Binding affinity to recombinant HBV capsid protein assessed as response value at 6.25 uM by surface plasmon resonance analysis (Rvb = 14.56 No_unit)2020European journal of medicinal chemistry, Sep-15, Volume: 202Design, diversity-oriented synthesis and biological evaluation of novel heterocycle derivatives as non-nucleoside HBV capsid protein inhibitors.
AID1330737Cytotoxicity against human HepG2.2.15 cells assessed as decrease in cell viability after 8 days by MTT assay2016European journal of medicinal chemistry, Nov-10, Volume: 123Design, synthesis and evaluation of pyrazole derivatives as non-nucleoside hepatitis B virus inhibitors.
AID1741377Selectivity index, ratio of CC50 for human HepG2.2.15 cells to IC50 for antiviral activity against HBV infected in human HepG2.2.15 cells assessed as reduction in HBsAg secretion2020European journal of medicinal chemistry, Sep-15, Volume: 202Design, diversity-oriented synthesis and biological evaluation of novel heterocycle derivatives as non-nucleoside HBV capsid protein inhibitors.
AID1741368Cytotoxicity against human HepG2.2.15 cells assessed as reduction in cell viability at 100 uM incubated for 4 days prior to compound washout followed by compound addition and measured after 4 days by CCK8 assay relative to control2020European journal of medicinal chemistry, Sep-15, Volume: 202Design, diversity-oriented synthesis and biological evaluation of novel heterocycle derivatives as non-nucleoside HBV capsid protein inhibitors.
AID1330730Cytotoxicity against human HepG2.2.15 cells assessed as decrease in cell viability after 8 days by CCK-8 assay2016European journal of medicinal chemistry, Nov-10, Volume: 123Design, synthesis and evaluation of pyrazole derivatives as non-nucleoside hepatitis B virus inhibitors.
AID1741376Antiviral activity against HBV infected in human HepG2.2.15 cells assessed as reduction in HBsAg secretion incubated for 4 days prior to compound washout followed by compound addition and measured after 4 days by ELISA2020European journal of medicinal chemistry, Sep-15, Volume: 202Design, diversity-oriented synthesis and biological evaluation of novel heterocycle derivatives as non-nucleoside HBV capsid protein inhibitors.
AID1741385Binding affinity to recombinant HBV capsid protein assessed as response value at 50 uM by surface plasmon resonance analysis (Rvb = 14.56 No_unit)2020European journal of medicinal chemistry, Sep-15, Volume: 202Design, diversity-oriented synthesis and biological evaluation of novel heterocycle derivatives as non-nucleoside HBV capsid protein inhibitors.
AID1330733Selectivity index, ratio of CC50 for human HepG2.2.15 cells to IC50 for Hepatitis B virus infected in human HepG2.2.15 cells assessed as inhibition of HBsAg secretion2016European journal of medicinal chemistry, Nov-10, Volume: 123Design, synthesis and evaluation of pyrazole derivatives as non-nucleoside hepatitis B virus inhibitors.
AID1741375Selectivity index, ratio of CC50 for human HepG2.2.15 cells to IC50 for antiviral activity against HBV infected in human HepG2.2.15 cells assessed as reduction in intracellular viral DNA level2020European journal of medicinal chemistry, Sep-15, Volume: 202Design, diversity-oriented synthesis and biological evaluation of novel heterocycle derivatives as non-nucleoside HBV capsid protein inhibitors.
AID1741374Antiviral activity against HBV infected in human HepG2.2.15 cells assessed as reduction in intracellular viral DNA level incubated for 4 days prior to compound washout followed by compound addition and measured after 4 days by fluorogenic probe based RT-q2020European journal of medicinal chemistry, Sep-15, Volume: 202Design, diversity-oriented synthesis and biological evaluation of novel heterocycle derivatives as non-nucleoside HBV capsid protein inhibitors.
AID1741365Antiviral activity against HBV infected in human HepG2.2.15 cells assessed as reduction in intracellular viral DNA level incubated for 4 days by fluorogenic probe based RT-qPCR analysis2020European journal of medicinal chemistry, Sep-15, Volume: 202Design, diversity-oriented synthesis and biological evaluation of novel heterocycle derivatives as non-nucleoside HBV capsid protein inhibitors.
AID1330732Antiviral activity against Hepatitis B virus infected in human HepG2.2.15 cells assessed as inhibition of HBeAg secretion by ELISA2016European journal of medicinal chemistry, Nov-10, Volume: 123Design, synthesis and evaluation of pyrazole derivatives as non-nucleoside hepatitis B virus inhibitors.
AID1613767Antiviral activity against HBV infected in human HepAD38 cells assessed as reduction in total DNA production incubated for 2 days prior to compound washout followed by compound redosing and measured after 2 days by dot-blot analysis2019European journal of medicinal chemistry, Feb-15, Volume: 1645-Aminothiophene-2,4-dicarboxamide analogues as hepatitis B virus capsid assembly effectors.
AID1741367Antiviral activity against HBV infected in human HepG2.2.15 cells assessed as reduction in intracellular viral DNA level at 100 uM incubated for 4 days prior to compound washout followed by compound addition and measured after 4 days by fluorogenic probe 2020European journal of medicinal chemistry, Sep-15, Volume: 202Design, diversity-oriented synthesis and biological evaluation of novel heterocycle derivatives as non-nucleoside HBV capsid protein inhibitors.
AID1330735Antiviral activity against Hepatitis B virus infected in human HepG2.2.15 cells assessed as inhibition of viral DNA replication after 8 days by real-time fluorescent PCR method2016European journal of medicinal chemistry, Nov-10, Volume: 123Design, synthesis and evaluation of pyrazole derivatives as non-nucleoside hepatitis B virus inhibitors.
AID1741384Binding affinity to recombinant HBV capsid protein assessed as response value at 100 uM by surface plasmon resonance analysis (Rvb = 14.56 No_unit)2020European journal of medicinal chemistry, Sep-15, Volume: 202Design, diversity-oriented synthesis and biological evaluation of novel heterocycle derivatives as non-nucleoside HBV capsid protein inhibitors.
AID1613768Cytotoxicity against human HepG2 cells assessed as reduction in cell viability incubated for 2 days prior to compound washout followed by compound redosing and measured after 2 days by XTT assay2019European journal of medicinal chemistry, Feb-15, Volume: 1645-Aminothiophene-2,4-dicarboxamide analogues as hepatitis B virus capsid assembly effectors.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (6)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's0 (0.00)29.6817
2010's5 (83.33)24.3611
2020's1 (16.67)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.56

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index12.56 (24.57)
Research Supply Index1.95 (2.92)
Research Growth Index4.51 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.56)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other6 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
thiazoles
[no description available]		2.81301,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
lamivudine
[no description available]		2.5820monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol		allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug
ConditionIndicatedRelationship StrengthStudiesTrials
E coli Infections
[description not available]		02.1510
Escherichia coli Infections
Infections with bacteria of the species ESCHERICHIA COLI.		02.1510
Sensitivity and Specificity
Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)		02.1510
Disease Models, Animal
Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.		02.110
Hepatitis, Viral, Animal
INFLAMMATION of the LIVER in animals due to viral infection.		02.110
Infections, Hepadnaviridae
[description not available]		02.110
Hepadnaviridae Infections
Virus diseases caused by the HEPADNAVIRIDAE.		02.110