Compounds > bms-585248
Page last updated: 2024-11-12

bms-585248

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

Cross-References

ID SourceID
PubMed CID11193463
CHEMBL ID236995
SCHEMBL ID2628937
MeSH IDM0586605

Synonyms (17)

Synonym
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(triazol-1-yl)-1h-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
piperazine, 1-benzoyl-4-[2-[4-fluoro-7-(1h-1,2,3-triazol-1-yl)-1h-pyrrolo[2,3-c]pyridin-3-yl]-1,2-dioxoethyl]-
bms-585248
bms-585428
CHEMBL236995
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-(1,2,3)triazol-1-yl-1h-pyrrolo(2,3-c)pyridin-3-yl)ethane-1,2-dione
unii-cio2tzz9h1
bms 585248
piperazine, 1-benzoyl-4-((4-fluoro-7-(1h-1,2,3-triazol-1-yl)-1h-pyrrolo(2,3-c)pyridin-3-yl)oxoacetyl)-
cio2tzz9h1 ,
1,2-ethanedione, 1-(4-benzoyl-1-piperazinyl)-2-(4-fluoro-7-(1h-1,2,3-triazol-1-yl)-1h-pyrrolo(2,3-c)pyridin-3-yl)-
619331-12-3
SCHEMBL2628937
Q27275484
HY-13829
CS-0007961
AKOS040750870

Research Excerpts

Bioavailability

ExcerptReferenceRelevance
"Many lead compounds fail to reach clinical trials despite being potent because of low bioavailability attributed to their insufficient solubility making solubility a primary and crucial factor in early phase drug discovery."( Structural modification aimed for improving solubility of lead compounds in early phase drug discovery.
Baidya, ATK; Das, B; Kumar, R; Mathew, AT; Yadav, AK, 2022)		0.72

Dosage Studied

ExcerptRelevanceReference
" Increased systemic exposure of the parent drug 1 following oral administration of the amminium salt 2 when compared to similar studies using solution dosing of the parent compound was observed in the in vivo studies in both rats and dogs."( Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment 13. Synthesis and profiling of a novel amminium prodrug of the HIV-1 attachment inhibitor BMS-585248.
Huang, XS; Jenkins, S; Johnson, KA; Kadow, JF; Meanwell, NA; Parker, D; Rahematpura, S; Regueiro-Ren, A; Simmermacher-Mayer, J; Sinz, M; Zheng, M, 2013)		0.59
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (64)

Assay IDTitleYearJournalArticle
AID1891849Antiviral activity against HIV-1 JRFL assessed as inhibition of viral growth2022Journal of medicinal chemistry, 05-12, Volume: 65, Issue:9
Development of Azaindole-Based Frameworks as Potential Antiviral Agents and Their Future Perspectives.
AID730226Ratio of Cmax in human at 800 mg, po to Cmax in human at 100 mg, po administered as spray-dried capsule formulation2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID730227Ratio of Cmax in human at 400 mg, po to Cmax in human at 100 mg, po administered as spray-dried capsule formulation2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID730242Antiviral activity against HIV1 BRU infected in MT2 cells after 4 to 5 days by reverse transcriptase assay in presence of human serum2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID730230Inhibition of human ERG by patch clamp assay2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID730234Antiviral activity against R5-tropic HIV1 JRFL infected in PM1 cells2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID723576Cmax in Sprague-Dawley rat at 200 mg/kg, po2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment 13. Synthesis and profiling of a novel amminium prodrug of the HIV-1 attachment inhibitor BMS-585248.
AID723577Cmax in Sprague-Dawley rat at 5 mg/kg, po2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment 13. Synthesis and profiling of a novel amminium prodrug of the HIV-1 attachment inhibitor BMS-585248.
AID730229Toxicity against rabbit purkinjie fibre2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID730220Drug absorption in human colon at 200 mg, po measured between 12 to 96 hrs2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID730248Clearance in rat liver microsomes2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID723556AUClast in Sprague-Dawley rat at 5 mg/kg, po2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment 13. Synthesis and profiling of a novel amminium prodrug of the HIV-1 attachment inhibitor BMS-585248.
AID730223Half life in human at 20 mg, po administered as solution measured between 2 and 12 hrs post-dosing2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID1866022Antiviral activity against HIV-12022Bioorganic & medicinal chemistry, 02-15, Volume: 56Structural modification aimed for improving solubility of lead compounds in early phase drug discovery.
AID730249Oral bioavailability in rat at 5 mg/kg2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID723549Drug excretion in bile duct cannulated Sprague-Dawley rat urine at 1 mg/kg, iv up to 2 hrs2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment 13. Synthesis and profiling of a novel amminium prodrug of the HIV-1 attachment inhibitor BMS-585248.
AID730224Antiviral activity against HIV1 B-clade assessed as protein-binding correct concentration required for inhibition of viral replication2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID730228Ratio of Cmax in human at 200 mg, po to Cmax in human at 100 mg, po administered as spray-dried capsule formulation2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID723575Cmax in Sprague-Dawley rat at 75 mg/kg, po2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment 13. Synthesis and profiling of a novel amminium prodrug of the HIV-1 attachment inhibitor BMS-585248.
AID421170Cytotoxicity against human U87 cells coexpressing CD4, CxCR4 receptors after 72 hrs2009Journal of medicinal chemistry, Jul-23, Volume: 52, Issue:14
Heterobiaryl human immunodeficiency virus entry inhibitors.
AID723574Total AUC in Sprague-Dawley rat at 5 mg/kg, po2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment 13. Synthesis and profiling of a novel amminium prodrug of the HIV-1 attachment inhibitor BMS-585248.
AID723560Cmax in bacitracin, neomycin sulfate and tetracycline treated Sprague-Dawley rat at 5 mg/kg, po2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment 13. Synthesis and profiling of a novel amminium prodrug of the HIV-1 attachment inhibitor BMS-585248.
AID723546Aqueous solubility of the compound2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment 13. Synthesis and profiling of a novel amminium prodrug of the HIV-1 attachment inhibitor BMS-585248.
AID723547Antiviral activity against HIV12013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment 13. Synthesis and profiling of a novel amminium prodrug of the HIV-1 attachment inhibitor BMS-585248.
AID730219Toxicity against human at 100 to 1200 mg, po administered as capsule formulation measured up to 96 hrs2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID730238Antiviral activity against X4-tropic HIV1 LAI infected in MT2 cells2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID730221Oral bioavailability in human at 200 mg administered as capsule formulation2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID730222Plasma concentration in human at 20 mg, po administered as solution measured after 16 hrs2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID1866023Permeability of compound in human Caco-2 cells2022Bioorganic & medicinal chemistry, 02-15, Volume: 56Structural modification aimed for improving solubility of lead compounds in early phase drug discovery.
AID730247AUC in rat at 5 mg/kg, po at 24 hrs2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID730243Antiviral activity against HIV1 BRU infected in MT2 cells after 4 to 5 days by reverse transcriptase assay in absence of human serum2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID304720Antiviral activity against HIV1 pseudovirus in U87 cells expressing CD4 and CCR5 after 72 hrs by M33 pseudotyped assay2007Journal of medicinal chemistry, Dec-27, Volume: 50, Issue:26
Design and synthesis of human immunodeficiency virus entry inhibitors: sulfonamide as an isostere for the alpha-ketoamide group.
AID730246Cmax in rat at 5 mg/kg, po2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID730233Antiviral activity Vesicular stomatitis virus pseudotype at 100 uM2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID723558AUClast in bacitracin, neomycin sulfate and tetracycline treated Sprague-Dawley rat at 5 mg/kg, po2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment 13. Synthesis and profiling of a novel amminium prodrug of the HIV-1 attachment inhibitor BMS-585248.
AID723572Total AUC in Sprague-Dawley rat at 200 mg/kg, po2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment 13. Synthesis and profiling of a novel amminium prodrug of the HIV-1 attachment inhibitor BMS-585248.
AID730240Plasma protein binding in human at 1 ug/ml by ultrafiltration method2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID421169Inhibition of HIV1 3B recombinant gp120/sCD4 binding interaction by ELISA2009Journal of medicinal chemistry, Jul-23, Volume: 52, Issue:14
Heterobiaryl human immunodeficiency virus entry inhibitors.
AID730241Ratio of EC50 for HIV1 BRU in presence of human serum to EC50 for HIV1 BRU in absence of human serum2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID1891850AUC (24 hrs) in rat at 5 mg/kg, po2022Journal of medicinal chemistry, 05-12, Volume: 65, Issue:9
Development of Azaindole-Based Frameworks as Potential Antiviral Agents and Their Future Perspectives.
AID730236Antiviral activity against R5-tropic HIV1 BAL infected in PM1 cells2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID730245Clearance in iv dosed rat2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID730225Ratio of Cmax in human at 1200 mg, po to Cmax in human at 100 mg, po administered as spray-dried capsule formulation2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID723573Total AUC in Sprague-Dawley rat at 75 mg/kg, po2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment 13. Synthesis and profiling of a novel amminium prodrug of the HIV-1 attachment inhibitor BMS-585248.
AID730244Volume of distribution at steady state in iv dosed rat2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID730235Antiviral activity against X4-tropic HIV1 MN infected in MT2 cells2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID1891851Cmax in rat at 5 mg/kg, po2022Journal of medicinal chemistry, 05-12, Volume: 65, Issue:9
Development of Azaindole-Based Frameworks as Potential Antiviral Agents and Their Future Perspectives.
AID1866020Thermodynamic aqueous solubility of the compound2022Bioorganic & medicinal chemistry, 02-15, Volume: 56Structural modification aimed for improving solubility of lead compounds in early phase drug discovery.
AID730252Cytotoxicity against human HeLa cells2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID730251Permeability across human Caco2 cells2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID1891853Plasma protein binding in human2022Journal of medicinal chemistry, 05-12, Volume: 65, Issue:9
Development of Azaindole-Based Frameworks as Potential Antiviral Agents and Their Future Perspectives.
AID730253Antiviral activity against HIV1 JRFL infected in human HeLa67 cells after 3 days by single cycle pseudotype-based luciferase reporter gene assay2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID730231Mutagenicity against Salmonella typhimurium at 1600 ug/ml2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID1891852Clearance in rat administered intravenously2022Journal of medicinal chemistry, 05-12, Volume: 65, Issue:9
Development of Azaindole-Based Frameworks as Potential Antiviral Agents and Their Future Perspectives.
AID730239Inhibition of cytochrome P450 (unknown origin)2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID730237Antiviral activity against X4-tropic HIV1 NL4-3 infected in MT2 cells2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID304721Cytotoxicity against human U87 cells expressing CD4 and CXCR42007Journal of medicinal chemistry, Dec-27, Volume: 50, Issue:26
Design and synthesis of human immunodeficiency virus entry inhibitors: sulfonamide as an isostere for the alpha-ketoamide group.
AID421168Antiviral activity against HIV1 expressed in 293T cells assessed as protection against viral M33 envelope infection in human U87 cells coexpressing CD4, CCR5 receptors after 72 hrs by luciferase reporter gene pseudoviral assay2009Journal of medicinal chemistry, Jul-23, Volume: 52, Issue:14
Heterobiaryl human immunodeficiency virus entry inhibitors.
AID730217Aqueous solubility of the compound2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID730250Clearance in human liver microsomes2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID723545Permeability across human Caco2 cells2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment 13. Synthesis and profiling of a novel amminium prodrug of the HIV-1 attachment inhibitor BMS-585248.
AID1891840Oral bioavailability in rat2022Journal of medicinal chemistry, 05-12, Volume: 65, Issue:9
Development of Azaindole-Based Frameworks as Potential Antiviral Agents and Their Future Perspectives.
AID730218Toxicity against human at 100 to 20 mg, po administered as solution formulation measured up to 96 hrs2013Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4
Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 12. Structure-activity relationships associated with 4-fluoro-6-azaindole derivatives leading to the identification of 1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-[1,2,3]triazol-1-yl-1h-p
AID1454947Aqueous solubility of the compound at pH 7.42018Journal of medicinal chemistry, 01-11, Volume: 61, Issue:1
Inhibitors of HIV-1 Attachment: The Discovery and Development of Temsavir and its Prodrug Fostemsavir.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (7)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's2 (28.57)29.6817
2010's3 (42.86)24.3611
2020's2 (28.57)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.73

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 Index12.73 (24.57)
Research Supply Index2.08 (2.92)
Research Growth Index4.81 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.73)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews2 (28.57%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other5 (71.43%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
indole
[no description available]		3.5110indole;
polycyclic heteroarene		Escherichia coli metabolite
phenytoin
[no description available]		3.5110imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
beta-naphthoflavone
beta-Naphthoflavone: A polyaromatic hydrocarbon inducer of P4501A1 and P4501A2 cytochromes. (Proc Soc Exp Biol Med 1994 Dec:207(3):302-308). beta-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone.		3.5110extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound		aryl hydrocarbon receptor agonist
beta-lapachone
beta-lapachone: antineoplastic inhibitor of reverse transcriptase, DNA topoisomerase, and DNA polymerase. beta-lapachone : A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities.		3.5110benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
mebendazole
Mebendazole: A benzimidazole that acts by interfering with CARBOHYDRATE METABOLISM and inhibiting polymerization of MICROTUBULES.. mebendazole : A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5.		3.5110aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator
metoprolol
Metoprolol: A selective adrenergic beta-1 blocking agent that is commonly used to treat ANGINA PECTORIS; HYPERTENSION; and CARDIAC ARRHYTHMIAS.. metoprolol : A propanolamine that is 1-(propan-2-ylamino)propan-2-ol substituted by a 4-(2-methoxyethyl)phenoxy group at position 1.		2.0810aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic
thalidomide
Thalidomide: A piperidinyl isoindole originally introduced as a non-barbiturate hypnotic, but withdrawn from the market due to teratogenic effects. It has been reintroduced and used for a number of immunological and inflammatory disorders. Thalidomide displays immunosuppressive and anti-angiogenic activity. It inhibits release of TUMOR NECROSIS FACTOR-ALPHA from monocytes, and modulates other cytokine action.. thalidomide : A racemate comprising equimolar amounts of R- and S-thalidomide.. 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione : A dicarboximide that is isoindole-1,3(2H)-dione in which the hydrogen attached to the nitrogen is substituted by a 2,6-dioxopiperidin-3-yl group.		3.5110phthalimides;
piperidones
mannitol
[no description available]		2.0810mannitolallergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent
6-azaindole
[no description available]		3.5110
5-azaindole
[no description available]		3.5110
7-azaindole
[no description available]		3.5110pyrrolopyridine
4-azaindole
[no description available]		3.5110
efavirenz
efavirenz: HIV-1 reverse transcriptase inhibitor. efavirenz : 1,4-Dihydro-2H-3,1-benzoxazin-2-one substituted at the 4 position by cyclopropylethynyl and trifluoromethyl groups (S configuration) and at the 6 position by chlorine. A non-nucleoside reverse transcriptase inhibitor with activity against HIV, it is used with other antiretrovirals for combination therapy of HIV infection.		2.0810acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound		antiviral drug;
HIV-1 reverse transcriptase inhibitor
3-heptyl-4-hydroxy-7-methoxy-2-methylquinoline
3-heptyl-4-hydroxy-7-methoxy-2-methylquinoline: structure given in first source		3.5110
etravirine
[no description available]		3.5110aminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound		antiviral agent;
HIV-1 reverse transcriptase inhibitor
linezolid
[no description available]		3.5110acetamides;
morpholines;
organofluorine compound;
oxazolidinone		antibacterial drug;
protein synthesis inhibitor
bms-488043
BMS-488043: anti-HIV agent		4.2950
antofine
antofine: structure in first source. (-)-antofine : An organic heteropentacyclic compound that is (13aR)-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline substituted at positions 2, 3 and 6 by methoxy groups. It is an alkaloid produced by relatives of the milkweed family and exhibits antiviral, anti-inflammatory, antiadipogenic and antitumorigenic activities.		3.5110alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		angiogenesis inhibitor;
anti-inflammatory agent;
antimicrobial agent;
antineoplastic agent;
antiviral agent;
phytotoxin;
plant metabolite
ac 55649
4'-octyl-4-biphenylcarboxylic acid: an RAR beta2 agonist; structure in first source		3.5110biphenyls;
carboxybiphenyl
diosmin
[no description available]		3.5110dihydroxyflavanone;
disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
rutinoside		anti-inflammatory agent;
antioxidant
oridonin
[no description available]		3.5110cyclic hemiketal;
enone;
ent-kaurane diterpenoid;
organic heteropentacyclic compound;
secondary alcohol		angiogenesis inhibitor;
anti-asthmatic agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
plant metabolite
bms 806
BMS 806: prevents entry of HIV into cells by binding HIV envelope protein gp120; no further info available 4/2002		2.7630
rilpivirine
[no description available]		3.5110aminopyrimidine;
nitrile		EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor
a 286982
A 286982: inhibits the interaction between leukocyte function-associated antigen-1 and intracellular adhesion molecule-1; structure in first source		3.5110
SIS3 free base
SIS3 free base : An enamide resulting from the formal condensation of the amino group of 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline with the carboxy group of (2E)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acrylic acid.		3.5110aromatic ether;
enamide;
isoquinolines;
monocarboxylic acid amide;
pyrrolopyridine;
tertiary carboxamide		Smad3 inhibitor
tedizolid
DA 7157: an anti-infective agent; structure in first source. tedizolid : A member of the class of pyridines that is pyridine which is substituted by a 2-methyl-2H-tetrazol-5-yl group at position 2 and by a 2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl group at position 5. It is used as its phosphate pro-drug used for the treatment of acute bacterial skin and skin structure infections caused by certain susceptible bacteria, including Staphylococcus aureus (including methicillin-resistant strains (MRSA) and methicillin-susceptible strains), various Streptococcus species, and Enterococcus faecalis.		3.5110carbamate ester;
organofluorine compound;
oxazolidinone;
primary alcohol;
pyridines;
tetrazoles		antimicrobial agent;
drug metabolite;
protein synthesis inhibitor
bms-626529
[no description available]		3.7620
bms-663068
fostemsavir: an HIV-1 attachment inhibitor; structure in first source		3.5110
tedizolid phosphate
tedizolid phosphate: a prodrug of DA-7157; structure in first source. tedizolid phosphate : A phosphate monoester resulting from the formal condensation of equimolar amounts of phosphoric acid with the hydroxy group of tedizolid . It is a prodrug of tedizolid, used for the treatment of acute bacterial skin infections caused by certain susceptible bacteria, including Staphylococcus aureus (including methicillin-resistant strains (MRSA) and methicillin-susceptible strains), various Streptococcus species, and Enterococcus faecalis.		3.5110carbamate ester;
organofluorine compound;
oxazolidinone;
phosphate monoester;
pyridines;
tetrazoles		antimicrobial agent;
prodrug;
protein synthesis inhibitor
psi 697
2-(4-chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo(H)quinoline-4-carboxylic acid: inhibitor of P selectin that decreases vein wall injury in a rat stenosis model of venous thrombosis		3.5110
amg 517
[no description available]		3.5110
azd1283
[no description available]		3.5110
(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)-4-pyrimidinyl]-3-methylmorpholine
[no description available]		3.5110indoles
7-chloro-3-methyl-2-(4-(4-(trifluoromethoxy)benzyl)phenyl)quinolin-4(1h)-one
7-chloro-3-methyl-2-(4-(4-(trifluoromethoxy)benzyl)phenyl)quinolin-4(1H)-one: an antimalarial; structure in first source		3.5110
gs-9973
[no description available]		3.5110
ddd107498
DDD107498: has antimalarial activity; structure in first source		3.5110
ConditionIndicatedRelationship StrengthStudiesTrials
HIV
Human immunodeficiency virus. A non-taxonomic and historical term referring to any of two species, specifically HIV-1 and/or HIV-2. Prior to 1986, this was called human T-lymphotropic virus type III/lymphadenopathy-associated virus (HTLV-III/LAV). From 1986-1990, it was an official species called HIV. Since 1991, HIV was no longer considered an official species name; the two species were designated HIV-1 and HIV-2.		02.0510
Grippe
[description not available]		03.3310
Influenza, Human
An acute viral infection in humans involving the respiratory tract. It is marked by inflammation of the NASAL MUCOSA; the PHARYNX; and conjunctiva, and by headache and severe, often generalized, myalgia.		03.3310