Compounds > pf-3450074
Page last updated: 2024-11-13

pf-3450074

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

Description

PF-3450074: an anti-HIV agent that binds capsid protein; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID49800090
CHEMBL ID1229713
SCHEMBL ID6453396
MeSH IDM000597490

Synonyms (25)

Synonym
CHEMBL1229713 ,
(2s)-n-methyl-2-[[2-(2-methyl-1h-indol-3-yl)acetyl]amino]-n,3-diphenyl-propanamide
n-methyl-nalpha-[(2-methyl-1h-indol-3-yl)acetyl]-n-phenyl-l-phenylalaninamide
pf-3450074
1b0 ,
2XDE
SCHEMBL6453396
pf74
1352879-65-2
pf-74
4U0E
4QNB
NCGC00370707-03
(s)-n-methyl-2-(2-(2-methyl-1h-indol-3-yl)acetamido)-n,3-diphenylpropanamide ,
AKOS032960477
HY-120072
AS-16388
EX-A2924
pf3450074
(2s)-n-methyl-2-[[2-(2-methyl-1h-indol-3-yl)acetyl]amino]-n,3-diphenylpropanamide
Q27451863
CS-0069433
2-methyl-n-[(1s)-2-(methylphenylamino)-2-oxo-1-(phenylmethyl)ethyl]-1h-indole-3-acetamide
A900337
bdbm50467395

Research Excerpts

Bioavailability

ExcerptReferenceRelevance
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs."( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019)		0.51

Dosage Studied

ExcerptRelevanceReference
" Here, we found that the dose-response curve of PF74 is triphasic, consisting of a plateau and two inhibitory phases of different slope values, consistent with a bimodal mechanism of drug action."( Roles of Capsid-Interacting Host Factors in Multimodal Inhibition of HIV-1 by PF74.
Aiken, C; Engelman, AN; Ferhadian, D; Halambage, UD; Saito, A; Serrao, E; Shi, J; Siddiqui, MA; Soto, J; Sowd, GA; Teng, S; Yamashita, M, 2016)		0.43
" This work reveals that the dose-response curve of PF74 consists of two distinct inhibitory phases that are differentially regulated by CA-interacting host proteins."( Roles of Capsid-Interacting Host Factors in Multimodal Inhibition of HIV-1 by PF74.
Aiken, C; Engelman, AN; Ferhadian, D; Halambage, UD; Saito, A; Serrao, E; Shi, J; Siddiqui, MA; Soto, J; Sowd, GA; Teng, S; Yamashita, M, 2016)		0.43
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (8)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
cytochrome P450 family 3 subfamily A polypeptide 4Homo sapiens (human)Potency1.50920.01237.983543.2770AID1645841
GVesicular stomatitis virusPotency9.52210.01238.964839.8107AID1645842
cytochrome P450 2D6Homo sapiens (human)Potency16.93300.00108.379861.1304AID1645840
Interferon betaHomo sapiens (human)Potency9.52210.00339.158239.8107AID1645842
HLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)Potency9.52210.01238.964839.8107AID1645842
Inositol hexakisphosphate kinase 1Homo sapiens (human)Potency9.52210.01238.964839.8107AID1645842
cytochrome P450 2C9, partialHomo sapiens (human)Potency9.52210.01238.964839.8107AID1645842
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Structural capsid protein Human immunodeficiency virus 1IC50 (µMol)4.57500.04673.06568.9300AID1887673; AID1887674
Structural capsid protein Human immunodeficiency virus 1Ki0.12000.12000.12000.1200AID1280341
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Structural capsid protein Human immunodeficiency virus 1Kd1.94510.06431.94513.6000AID1280340; AID1280341; AID1421484; AID1421485; AID1421486; AID1548589; AID1548590; AID1876426; AID1876427; AID1887661; AID1887662
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (45)

Processvia Protein(s)Taxonomy
cell surface receptor signaling pathway via JAK-STATInterferon betaHomo sapiens (human)
response to exogenous dsRNAInterferon betaHomo sapiens (human)
B cell activation involved in immune responseInterferon betaHomo sapiens (human)
cell surface receptor signaling pathwayInterferon betaHomo sapiens (human)
cell surface receptor signaling pathway via JAK-STATInterferon betaHomo sapiens (human)
response to virusInterferon betaHomo sapiens (human)
positive regulation of autophagyInterferon betaHomo sapiens (human)
cytokine-mediated signaling pathwayInterferon betaHomo sapiens (human)
natural killer cell activationInterferon betaHomo sapiens (human)
positive regulation of peptidyl-serine phosphorylation of STAT proteinInterferon betaHomo sapiens (human)
cellular response to interferon-betaInterferon betaHomo sapiens (human)
B cell proliferationInterferon betaHomo sapiens (human)
negative regulation of viral genome replicationInterferon betaHomo sapiens (human)
innate immune responseInterferon betaHomo sapiens (human)
positive regulation of innate immune responseInterferon betaHomo sapiens (human)
regulation of MHC class I biosynthetic processInterferon betaHomo sapiens (human)
negative regulation of T cell differentiationInterferon betaHomo sapiens (human)
positive regulation of transcription by RNA polymerase IIInterferon betaHomo sapiens (human)
defense response to virusInterferon betaHomo sapiens (human)
type I interferon-mediated signaling pathwayInterferon betaHomo sapiens (human)
neuron cellular homeostasisInterferon betaHomo sapiens (human)
cellular response to exogenous dsRNAInterferon betaHomo sapiens (human)
cellular response to virusInterferon betaHomo sapiens (human)
negative regulation of Lewy body formationInterferon betaHomo sapiens (human)
negative regulation of T-helper 2 cell cytokine productionInterferon betaHomo sapiens (human)
positive regulation of apoptotic signaling pathwayInterferon betaHomo sapiens (human)
response to exogenous dsRNAInterferon betaHomo sapiens (human)
B cell differentiationInterferon betaHomo sapiens (human)
natural killer cell activation involved in immune responseInterferon betaHomo sapiens (human)
adaptive immune responseInterferon betaHomo sapiens (human)
T cell activation involved in immune responseInterferon betaHomo sapiens (human)
humoral immune responseInterferon betaHomo sapiens (human)
positive regulation of T cell mediated cytotoxicityHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
adaptive immune responseHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-independentHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
regulation of T cell anergyHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
defense responseHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
immune responseHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
detection of bacteriumHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
regulation of interleukin-12 productionHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
regulation of interleukin-6 productionHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
protection from natural killer cell mediated cytotoxicityHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
innate immune responseHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
regulation of dendritic cell differentiationHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class IbHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
inositol phosphate metabolic processInositol hexakisphosphate kinase 1Homo sapiens (human)
phosphatidylinositol phosphate biosynthetic processInositol hexakisphosphate kinase 1Homo sapiens (human)
negative regulation of cold-induced thermogenesisInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol phosphate biosynthetic processInositol hexakisphosphate kinase 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (18)

Processvia Protein(s)Taxonomy
cytokine activityInterferon betaHomo sapiens (human)
cytokine receptor bindingInterferon betaHomo sapiens (human)
type I interferon receptor bindingInterferon betaHomo sapiens (human)
protein bindingInterferon betaHomo sapiens (human)
chloramphenicol O-acetyltransferase activityInterferon betaHomo sapiens (human)
TAP bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
signaling receptor bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
protein bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
peptide antigen bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
TAP bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
protein-folding chaperone bindingHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
inositol-1,3,4,5,6-pentakisphosphate kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol hexakisphosphate kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol heptakisphosphate kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol hexakisphosphate 5-kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
protein bindingInositol hexakisphosphate kinase 1Homo sapiens (human)
ATP bindingInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol hexakisphosphate 1-kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol hexakisphosphate 3-kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol 5-diphosphate pentakisphosphate 5-kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
inositol diphosphate tetrakisphosphate kinase activityInositol hexakisphosphate kinase 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (22)

Processvia Protein(s)Taxonomy
extracellular spaceInterferon betaHomo sapiens (human)
extracellular regionInterferon betaHomo sapiens (human)
Golgi membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
endoplasmic reticulumHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
Golgi apparatusHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
plasma membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
cell surfaceHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
ER to Golgi transport vesicle membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
secretory granule membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
phagocytic vesicle membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
early endosome membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
recycling endosome membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
extracellular exosomeHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
lumenal side of endoplasmic reticulum membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
MHC class I protein complexHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
extracellular spaceHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
external side of plasma membraneHLA class I histocompatibility antigen, B alpha chain Homo sapiens (human)
fibrillar centerInositol hexakisphosphate kinase 1Homo sapiens (human)
nucleoplasmInositol hexakisphosphate kinase 1Homo sapiens (human)
cytosolInositol hexakisphosphate kinase 1Homo sapiens (human)
nucleusInositol hexakisphosphate kinase 1Homo sapiens (human)
cytoplasmInositol hexakisphosphate kinase 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (118)

Assay IDTitleYearJournalArticle
AID1887660Selectivity index, ratio of CC50 for cytotoxicity against human MT4 cells to EC50 for antiviral activity against HIV-1 ROD infected in human MT4 cells2021European journal of medicinal chemistry, Dec-15, Volume: 226Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors.
AID1887674Displacement of NUP153 peptide from HIV1 capsid protein by surface plasmon resonance-based competition assay2021European journal of medicinal chemistry, Dec-15, Volume: 226Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors.
AID1829598Therapeutic index, ratio of CC50 for cytotoxicity against human 87.CD4.CCR5.CXCR4 cells to IC50 for antiviral activity against HIV1 NL4-3 virus in human 87.CD4.CCR5.CXCR4 cells2021Journal of medicinal chemistry, 04-08, Volume: 64, Issue:7
Rapid Optimization of the Metabolic Stability of a Human Immunodeficiency Virus Type-1 Capsid Inhibitor Using a Multistep Computational Workflow.
AID1548588Antiviral activity against HIV1 Env-pseudotyped virus in human U87.CD4.CCR5 target cells assessed as reduction in viral infection at early stage2020Journal of medicinal chemistry, 05-14, Volume: 63, Issue:9
Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.
AID1548590Binding affinity to HIV1 NL4-3 capsid protein monomer by SPR analysis2020Journal of medicinal chemistry, 05-14, Volume: 63, Issue:9
Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.
AID1887667Antiviral activity against HIV1 NL4-3 Env-deficient pseudotype virus infected in human U87.CD4.CCR5.CXCR4 cells assessed by reduction in viral infection in late stage at 1 uM measured after 48 hrs by luciferase activity based single-round infection assay2021European journal of medicinal chemistry, Dec-15, Volume: 226Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors.
AID1421482Cytotoxicity against human MT4 cells assessed as reduction in cell viability after 24 hrs by CytoTox-Glo cytotoxicity assay2018European journal of medicinal chemistry, Oct-05, Volume: 158Discovery of phenylalanine derivatives as potent HIV-1 capsid inhibitors from click chemistry-based compound library.
AID1421485Binding affinity to HIV1 NL4-3 monomeric capsid protein by surface plasmon resonance2018European journal of medicinal chemistry, Oct-05, Volume: 158Discovery of phenylalanine derivatives as potent HIV-1 capsid inhibitors from click chemistry-based compound library.
AID1853711Cytotoxicity against human TZM cells expressing GFP assessed as inhibition of cell growth incubated for 72 hrs by XTT assay2021RSC medicinal chemistry, Dec-15, Volume: 12, Issue:12
Potency and metabolic stability: a molecular hybrid case in the design of novel PF74-like small molecules targeting HIV-1 capsid protein.
AID1876433Metabolic stability in human liver assessed as intrinsic clearance2022European journal of medicinal chemistry, Jan-05, Volume: 227Design, synthesis, and mechanistic investigations of phenylalanine derivatives containing a benzothiazole moiety as HIV-1 capsid inhibitors with improved metabolic stability.
AID1876430Selectivity ratio, ratio of Kd for binding affinity to HIV1 NL4-3 capsid protein monomer to Kd for binding affinity to HIV1 NL4-3 capsid protein hexamer2022European journal of medicinal chemistry, Jan-05, Volume: 227Design, synthesis, and mechanistic investigations of phenylalanine derivatives containing a benzothiazole moiety as HIV-1 capsid inhibitors with improved metabolic stability.
AID1829593Binding affinity to hexameric C-terminal His-tagged HIV1 NL4-3 capsid protein A14C/E45C/W184A/M185A mutant expressed in Escherichia coli BL21 codon plus (DE3)RIL assessed as association rate constant by SPR analysis2021Journal of medicinal chemistry, 04-08, Volume: 64, Issue:7
Rapid Optimization of the Metabolic Stability of a Human Immunodeficiency Virus Type-1 Capsid Inhibitor Using a Multistep Computational Workflow.
AID1876421Antiviral activity against HIV-1 ROD infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by MTT assay2022European journal of medicinal chemistry, Jan-05, Volume: 227Design, synthesis, and mechanistic investigations of phenylalanine derivatives containing a benzothiazole moiety as HIV-1 capsid inhibitors with improved metabolic stability.
AID1548578Half life in human liver microsomes in presence of NADPH regenerating system by LC-MS/MS analysis2020Journal of medicinal chemistry, 05-14, Volume: 63, Issue:9
Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.
AID1548622Selectivity index, ratio of CC50 for cytotoxicity in human MT4 cells by MTT assay to EC50 for antiviral activity against against HIV2 ROD infected in human MT4 cells by MTT assay2020Journal of medicinal chemistry, 05-14, Volume: 63, Issue:9
Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.
AID1548579Half life in human plasma at 2 uM at 37 degC by LC-MS/MS analysis2020Journal of medicinal chemistry, 05-14, Volume: 63, Issue:9
Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.
AID1887659Selectivity index, ratio of CC50 for cytotoxicity against human MT4 cells to EC50 for antiviral activity against HIV-1 IIIB infected in human MT4 cells2021European journal of medicinal chemistry, Dec-15, Volume: 226Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors.
AID1548591Selectivity index, ratio of Kd for binding affinity to HIV1 NL4-3 capsid protein monomer by SPR analysis to Kd for binding affinity to HIV1 NL4-3 capsid protein hexamer by SPR analysis2020Journal of medicinal chemistry, 05-14, Volume: 63, Issue:9
Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.
AID1887661Binding affinity to HIV1 capsid protein monomer assessed as dissociation constant by SPR analysis2021European journal of medicinal chemistry, Dec-15, Volume: 226Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors.
AID1548592Selectivity index, ratio of CC50 for cytotoxicity in human TZM-bl assessed as reduction in cell viability incubated for 1 day by Cyto-tox-Glo cytotoxicity assay to EC50 for antiviral activity against HIV1 NL4-3 infected in human TZM-bl cells assessed as r2020Journal of medicinal chemistry, 05-14, Volume: 63, Issue:9
Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.
AID1736743Metabolic stability in human liver microsomes assessed as parent compound remaining in absence of NADPH after 1 hr by LC/MS/MS method2020European journal of medicinal chemistry, Mar-15, Volume: 190Design, synthesis and structure-activity relationships of 4-phenyl-1H-1,2,3-triazole phenylalanine derivatives as novel HIV-1 capsid inhibitors with promising antiviral activities.
AID1739136Metabolic stability at phase 1 in human liver microsomes assessed as half life at 1 uM in presence of Cobi-cistat CYP3A inhibitor by LC-MS/MS analysis2020European journal of medicinal chemistry, Aug-15, Volume: 200Chemical profiling of HIV-1 capsid-targeting antiviral PF74.
AID1736737Antiviral activity against HIV1 NL4-3 Env-pseudotype virus in human U87/CD4/CCR5 cells assessed as reduction in p24 production at 10 uM by ELISA reader relative to control2020European journal of medicinal chemistry, Mar-15, Volume: 190Design, synthesis and structure-activity relationships of 4-phenyl-1H-1,2,3-triazole phenylalanine derivatives as novel HIV-1 capsid inhibitors with promising antiviral activities.
AID1548598Stability in human liver microsomes assessed as compound remaining level incubated for 60 mins in absence of NADPH regenerating system by LC-MS/MS analysis2020Journal of medicinal chemistry, 05-14, Volume: 63, Issue:9
Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.
AID1736748Induction of HIV1 NL4-3 capsid protein assembly at 50 uM measured every 1 min for 19 mins by Spectrophotometer method2020European journal of medicinal chemistry, Mar-15, Volume: 190Design, synthesis and structure-activity relationships of 4-phenyl-1H-1,2,3-triazole phenylalanine derivatives as novel HIV-1 capsid inhibitors with promising antiviral activities.
AID1876420Antiviral activity against HIV-1 3B infected in human MT4 cells assessed as protection against virus-induced cytopathic effect by MTT assay2022European journal of medicinal chemistry, Jan-05, Volume: 227Design, synthesis, and mechanistic investigations of phenylalanine derivatives containing a benzothiazole moiety as HIV-1 capsid inhibitors with improved metabolic stability.
AID1421489Cytotoxicity against human U87 cells expressing CD4/CCR52018European journal of medicinal chemistry, Oct-05, Volume: 158Discovery of phenylalanine derivatives as potent HIV-1 capsid inhibitors from click chemistry-based compound library.
AID1876429Binding affinity to HIV-1 NL4-3 capsid protein hexamer assessed as Koff by SPR analysis2022European journal of medicinal chemistry, Jan-05, Volume: 227Design, synthesis, and mechanistic investigations of phenylalanine derivatives containing a benzothiazole moiety as HIV-1 capsid inhibitors with improved metabolic stability.
AID1736742Metabolic stability in human liver microsomes assessed as parent compound remaining in presence of NADPH after 1 hr by LC/MS/MS method2020European journal of medicinal chemistry, Mar-15, Volume: 190Design, synthesis and structure-activity relationships of 4-phenyl-1H-1,2,3-triazole phenylalanine derivatives as novel HIV-1 capsid inhibitors with promising antiviral activities.
AID1887662Binding affinity to HIV1 capsid protein hexamer assessed as dissociation constant by SPR analysis2021European journal of medicinal chemistry, Dec-15, Volume: 226Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors.
AID1829597Cytotoxicity against in human U87.CD4.CCR5.CXCR4 cells assessed as reduction in cell viability measured after 48 hrs by CCK8 assay2021Journal of medicinal chemistry, 04-08, Volume: 64, Issue:7
Rapid Optimization of the Metabolic Stability of a Human Immunodeficiency Virus Type-1 Capsid Inhibitor Using a Multistep Computational Workflow.
AID1548586Selectivity index, ratio of IC50 for antiviral activity against HIV1 Env-pseudotyped virus in human U87.CD4.CCR5 target cells assessed as reduction in viral infection at late stage to IC50 for antiviral activity against HIV1 Env-pseudotyped virus in human2020Journal of medicinal chemistry, 05-14, Volume: 63, Issue:9
Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.
AID1876423Cytotoxicity against mock infected human MT4 cells by MTT assay2022European journal of medicinal chemistry, Jan-05, Volume: 227Design, synthesis, and mechanistic investigations of phenylalanine derivatives containing a benzothiazole moiety as HIV-1 capsid inhibitors with improved metabolic stability.
AID1736731Binding affinity to HIV1 NL4-3 capsid protein monomer assessed as dissociation constant by SPR analysis2020European journal of medicinal chemistry, Mar-15, Volume: 190Design, synthesis and structure-activity relationships of 4-phenyl-1H-1,2,3-triazole phenylalanine derivatives as novel HIV-1 capsid inhibitors with promising antiviral activities.
AID1548584Induction of increase in CA/p24 content in HIV1 NL4-3 infected in human TZM-bl cells at 10 uM by ELISA relative to control2020Journal of medicinal chemistry, 05-14, Volume: 63, Issue:9
Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.
AID1739127Antiviral activity against HIV1 NL4-3 infected in human TZM-GFP cells assessed as number of GFP positive cells incubated for 48 hrs by imaging reader2020European journal of medicinal chemistry, Aug-15, Volume: 200Chemical profiling of HIV-1 capsid-targeting antiviral PF74.
AID1887658Cytotoxicity against human MT4 cells assessed as reduction in cell viability incubated for 5 days by MTT assay2021European journal of medicinal chemistry, Dec-15, Volume: 226Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors.
AID1548593Cytotoxicity in uninfected human TZM-bl assessed as reduction in cell viability incubated for 1 day by Cyto-tox-Glo cytotoxicity assay2020Journal of medicinal chemistry, 05-14, Volume: 63, Issue:9
Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.
AID1739134Metabolic stability at phase 1 in human liver microsomes assessed as half life at 1 uM by LC-MS/MS analysis2020European journal of medicinal chemistry, Aug-15, Volume: 200Chemical profiling of HIV-1 capsid-targeting antiviral PF74.
AID1736740Metabolic stability in human liver microsomes assessed as intrinsic clearance incubated for 1 hr by LC/MS/MS method2020European journal of medicinal chemistry, Mar-15, Volume: 190Design, synthesis and structure-activity relationships of 4-phenyl-1H-1,2,3-triazole phenylalanine derivatives as novel HIV-1 capsid inhibitors with promising antiviral activities.
AID1736745Metabolic stability in human plasma assessed as parent compound remaining after 30 mins by LC/MS/MS method2020European journal of medicinal chemistry, Mar-15, Volume: 190Design, synthesis and structure-activity relationships of 4-phenyl-1H-1,2,3-triazole phenylalanine derivatives as novel HIV-1 capsid inhibitors with promising antiviral activities.
AID1876434Metabolic stability in human liver microsomes assessed as parent compound remaining measured after 60 mins2022European journal of medicinal chemistry, Jan-05, Volume: 227Design, synthesis, and mechanistic investigations of phenylalanine derivatives containing a benzothiazole moiety as HIV-1 capsid inhibitors with improved metabolic stability.
AID1548577Intrinsic clearance in human liver microsomes in presence of NADPH regenerating system by LC-MS/MS analysis2020Journal of medicinal chemistry, 05-14, Volume: 63, Issue:9
Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.
AID1887673Displacement of CPSF6 peptide from HIV1 capsid protein by surface plasmon resonance-based competition assay2021European journal of medicinal chemistry, Dec-15, Volume: 226Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors.
AID1887672Metabolic stability in human plasma assessed as parent compound remaining at 100 uM incubated for 120 mins by LC-MS/MS analysis2021European journal of medicinal chemistry, Dec-15, Volume: 226Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors.
AID1736733Cytotoxicity against in human TZM-bl cells assessed as reduction in cell viability measured after 2 days by cell titre glo luminiscent cell viability assay2020European journal of medicinal chemistry, Mar-15, Volume: 190Design, synthesis and structure-activity relationships of 4-phenyl-1H-1,2,3-triazole phenylalanine derivatives as novel HIV-1 capsid inhibitors with promising antiviral activities.
AID1736734Selectivity index, ratio of CC50 for human TZM-bl cells to EC50 for HIV1 NL4-3 infected in human TZM-bl cells2020European journal of medicinal chemistry, Mar-15, Volume: 190Design, synthesis and structure-activity relationships of 4-phenyl-1H-1,2,3-triazole phenylalanine derivatives as novel HIV-1 capsid inhibitors with promising antiviral activities.
AID1548587Antiviral activity against HIV1 Env-pseudotyped virus in human U87.CD4.CCR5 target cells assessed as reduction in viral infection at late stage2020Journal of medicinal chemistry, 05-14, Volume: 63, Issue:9
Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.
AID1736739Metabolic stability in human liver microsomes assessed as half life incubated for 1 hr by LC/MS/MS method2020European journal of medicinal chemistry, Mar-15, Volume: 190Design, synthesis and structure-activity relationships of 4-phenyl-1H-1,2,3-triazole phenylalanine derivatives as novel HIV-1 capsid inhibitors with promising antiviral activities.
AID1421487Antiviral activity against ENV pseudotyped HIV1 B41 infected in human U87 cells expressing CD4/CCR5 measured after 48 hrs by luciferase reporter gene assay2018European journal of medicinal chemistry, Oct-05, Volume: 158Discovery of phenylalanine derivatives as potent HIV-1 capsid inhibitors from click chemistry-based compound library.
AID1280342Ratio of Kd for HIV1 hexameric capsid to Kd for HIV1 monomeric capsid by isothermal titration calorimetry2016Journal of medicinal chemistry, Jan-28, Volume: 59, Issue:2
Specific Inhibitors of HIV Capsid Assembly Binding to the C-Terminal Domain of the Capsid Protein: Evaluation of 2-Arylquinazolines as Potential Antiviral Compounds.
AID1739133Stability of the compound in mouse plasma assessed as half life incubated for 3 hrs by LC-MS/MS analysis2020European journal of medicinal chemistry, Aug-15, Volume: 200Chemical profiling of HIV-1 capsid-targeting antiviral PF74.
AID1548575Stability in human liver microsomes assessed as compound remaining level incubated for 60 mins in presence of NADPH regenerating system by LC-MS/MS analysis2020Journal of medicinal chemistry, 05-14, Volume: 63, Issue:9
Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.
AID1421483Selectivity index, ratio of CC50 for human MT4 cells to EC50 for Human immunodeficiency virus 1 NL4-3 infected in human MT4 cells2018European journal of medicinal chemistry, Oct-05, Volume: 158Discovery of phenylalanine derivatives as potent HIV-1 capsid inhibitors from click chemistry-based compound library.
AID1280341Binding affinity to HIV1 NL4-3 capsid N-terminal domain by isothermal titration calorimetry2016Journal of medicinal chemistry, Jan-28, Volume: 59, Issue:2
Specific Inhibitors of HIV Capsid Assembly Binding to the C-Terminal Domain of the Capsid Protein: Evaluation of 2-Arylquinazolines as Potential Antiviral Compounds.
AID1876426Binding affinity to HIV-1 NL4-3 capsid protein monomer assessed as dissociation constant by SPR analysis2022European journal of medicinal chemistry, Jan-05, Volume: 227Design, synthesis, and mechanistic investigations of phenylalanine derivatives containing a benzothiazole moiety as HIV-1 capsid inhibitors with improved metabolic stability.
AID1269491Binding affinity to HIV1 capsid protein p24 by SPR assay2016Bioorganic & medicinal chemistry letters, Feb-01, Volume: 26, Issue:3
Identification of a small molecule HIV-1 inhibitor that targets the capsid hexamer.
AID1736735Antiviral activity against HIV1 NL4-3 Env-deficient pseudotype virus infected in human U87/CD4/CCR5 cells assessed by reduction in viral production in early stage measured after 48 hrs by luciferase activity based single-round infection assay2020European journal of medicinal chemistry, Mar-15, Volume: 190Design, synthesis and structure-activity relationships of 4-phenyl-1H-1,2,3-triazole phenylalanine derivatives as novel HIV-1 capsid inhibitors with promising antiviral activities.
AID1736741Metabolic stability in human liver assessed as intrinsic clearance incubated for 1 hr by LC/MS/MS method2020European journal of medicinal chemistry, Mar-15, Volume: 190Design, synthesis and structure-activity relationships of 4-phenyl-1H-1,2,3-triazole phenylalanine derivatives as novel HIV-1 capsid inhibitors with promising antiviral activities.
AID1846329Antiviral activity against HIV 1 NL4-3 infected in human MT2 cells assessed as inhibition of replication by XTT assay2021European journal of medicinal chemistry, May-05, Volume: 217An insight on medicinal aspects of novel HIV-1 capsid protein inhibitors.
AID1421490Therapeutic index, ratio of CC50 for human U87 cells to IC50 for ENV pseudotyped HIV1 B41 infected in human U87 cells expressing CD4/CCR52018European journal of medicinal chemistry, Oct-05, Volume: 158Discovery of phenylalanine derivatives as potent HIV-1 capsid inhibitors from click chemistry-based compound library.
AID1739132Stability of the compound in human plasma assessed as half life incubated for 3 hrs by LC-MS/MS analysis2020European journal of medicinal chemistry, Aug-15, Volume: 200Chemical profiling of HIV-1 capsid-targeting antiviral PF74.
AID1736736Antiviral activity against HIV1 NL4-3 Env-deficient pseudotype virus infected in human U87/CD4/CCR5 cells assessed by reduction in viral production in late stage measured after 48 hrs by luciferase activity based single-round infection assay2020European journal of medicinal chemistry, Mar-15, Volume: 190Design, synthesis and structure-activity relationships of 4-phenyl-1H-1,2,3-triazole phenylalanine derivatives as novel HIV-1 capsid inhibitors with promising antiviral activities.
AID1876431Metabolic stability in human liver microsomes assessed as half life2022European journal of medicinal chemistry, Jan-05, Volume: 227Design, synthesis, and mechanistic investigations of phenylalanine derivatives containing a benzothiazole moiety as HIV-1 capsid inhibitors with improved metabolic stability.
AID1269497Inhibition of HIV1 capsid protein p24 interaction with CPSF6 (308-327) at 300 uM2016Bioorganic & medicinal chemistry letters, Feb-01, Volume: 26, Issue:3
Identification of a small molecule HIV-1 inhibitor that targets the capsid hexamer.
AID1421486Binding affinity to HIV1 NL4-3 hexameric capsid protein by surface plasmon resonance2018European journal of medicinal chemistry, Oct-05, Volume: 158Discovery of phenylalanine derivatives as potent HIV-1 capsid inhibitors from click chemistry-based compound library.
AID1739137Metabolic stability at phase 1 in mouse liver microsomes assessed as half life at 1 uM in presence of Cobi-cistat CYP3A inhibitor by LC-MS/MS analysis2020European journal of medicinal chemistry, Aug-15, Volume: 200Chemical profiling of HIV-1 capsid-targeting antiviral PF74.
AID1876427Binding affinity to HIV-1 NL4-3 capsid protein hexamer assessed as dissociation constant by SPR analysis2022European journal of medicinal chemistry, Jan-05, Volume: 227Design, synthesis, and mechanistic investigations of phenylalanine derivatives containing a benzothiazole moiety as HIV-1 capsid inhibitors with improved metabolic stability.
AID1739135Metabolic stability at phase 1 in mouse liver microsomes assessed as half life at 1 uM by LC-MS/MS analysis2020European journal of medicinal chemistry, Aug-15, Volume: 200Chemical profiling of HIV-1 capsid-targeting antiviral PF74.
AID1829596Antiviral activity against HIV1 NL4-3 Env-deficient pseudotype virus infected in human U87.CD4.CCR5.CXCR4 cells assessed by reduction in viral infection in early stage measured after 48 hrs by luciferase activity based single-round infection assay2021Journal of medicinal chemistry, 04-08, Volume: 64, Issue:7
Rapid Optimization of the Metabolic Stability of a Human Immunodeficiency Virus Type-1 Capsid Inhibitor Using a Multistep Computational Workflow.
AID1887668Metabolic stability in human liver microsomes assessed as half life at 100 uM incubated for 180 mins in presence of NADPH by LC-MS/MS analysis2021European journal of medicinal chemistry, Dec-15, Volume: 226Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors.
AID1269492Binding affinity to HIV1 capsid protein p24 assessed as turbidity at 100 uM by spectrophotometer analysis2016Bioorganic & medicinal chemistry letters, Feb-01, Volume: 26, Issue:3
Identification of a small molecule HIV-1 inhibitor that targets the capsid hexamer.
AID1736732Antiviral activity against HIV1 NL4-3 infected in human TZM-bl cells assessed as reduction in virus induced cytopathic effect measured after 2 days by luciferase gene expression assay2020European journal of medicinal chemistry, Mar-15, Volume: 190Design, synthesis and structure-activity relationships of 4-phenyl-1H-1,2,3-triazole phenylalanine derivatives as novel HIV-1 capsid inhibitors with promising antiviral activities.
AID1887671Metabolic stability in human liver microsome assessed as parent compound remaining at 100 uM measured after 60 mins by LC-MS/MS analysis2021European journal of medicinal chemistry, Dec-15, Volume: 226Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors.
AID1887670Metabolic stability in human liver microsome assessed as parent compound remaining at 100 uM measured after 60 mins in presence of NADPH by LC-MS/MS analysis2021European journal of medicinal chemistry, Dec-15, Volume: 226Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors.
AID1280340Binding affinity to full length HIV1 NL4-3 capsid by isothermal titration calorimetry2016Journal of medicinal chemistry, Jan-28, Volume: 59, Issue:2
Specific Inhibitors of HIV Capsid Assembly Binding to the C-Terminal Domain of the Capsid Protein: Evaluation of 2-Arylquinazolines as Potential Antiviral Compounds.
AID1829599Half life in human liver microsomes2021Journal of medicinal chemistry, 04-08, Volume: 64, Issue:7
Rapid Optimization of the Metabolic Stability of a Human Immunodeficiency Virus Type-1 Capsid Inhibitor Using a Multistep Computational Workflow.
AID1887663Selectivity Ratio of Kd for Binding affinity to HIV1 capsid protein monomer to Binding affinity to HIV1 capsid protein hexamer2021European journal of medicinal chemistry, Dec-15, Volume: 226Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors.
AID1736730Binding affinity to HIV1 NL4-3 capsid protein hexamer assessed as dissociation constant by SPR analysis2020European journal of medicinal chemistry, Mar-15, Volume: 190Design, synthesis and structure-activity relationships of 4-phenyl-1H-1,2,3-triazole phenylalanine derivatives as novel HIV-1 capsid inhibitors with promising antiviral activities.
AID1736744Metabolic stability in human plasma assessed as parent compound remaining after 10 mins by LC/MS/MS method2020European journal of medicinal chemistry, Mar-15, Volume: 190Design, synthesis and structure-activity relationships of 4-phenyl-1H-1,2,3-triazole phenylalanine derivatives as novel HIV-1 capsid inhibitors with promising antiviral activities.
AID1887666Antiviral activity against HIV1 NL4-3 Env-deficient pseudotype virus infected in human U87.CD4.CCR5.CXCR4 cells assessed by reduction in viral infection in early stage at 1 uM measured after 48 hrs by luciferase activity based single-round infection assay2021European journal of medicinal chemistry, Dec-15, Volume: 226Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors.
AID1739131Binding affinity to covalently-crosslinked hexameric HIV1 capsid protein A14C/E45C/W184A/M185A mutant expressed in Escherichia coli BL21(DE3)RIL assessed as change in melting temperature at 20 uM incubated for 30 mins by thermal shift dye based fluorescen2020European journal of medicinal chemistry, Aug-15, Volume: 200Chemical profiling of HIV-1 capsid-targeting antiviral PF74.
AID1421484Binding affinity to HIV1 NL4-3 N-terminal domain capsid protein by surface plasmon resonance2018European journal of medicinal chemistry, Oct-05, Volume: 158Discovery of phenylalanine derivatives as potent HIV-1 capsid inhibitors from click chemistry-based compound library.
AID1887655Metabolic stability in human liver assessed as intrinsic clearance at 100 uM incubated for 180 mins in presence of NADPH by LC-MS/MS analysis2021European journal of medicinal chemistry, Dec-15, Volume: 226Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors.
AID1876422Selectivity ratio, ratio of EC50 for antiviral activity against HIV-1 3B infected in human MT4 cells to EC50 for antiviral activity against HIV-1 ROD infected in human MT4 cells2022European journal of medicinal chemistry, Jan-05, Volume: 227Design, synthesis, and mechanistic investigations of phenylalanine derivatives containing a benzothiazole moiety as HIV-1 capsid inhibitors with improved metabolic stability.
AID1887669Metabolic stability in human liver microsomes assessed as intrinsic clearance at 100 uM incubated for 180 mins in presence of NADPH by LC-MS/MS analysis2021European journal of medicinal chemistry, Dec-15, Volume: 226Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors.
AID1736746Metabolic stability in human plasma assessed as parent compound remaining after 60 mins by LC/MS/MS method2020European journal of medicinal chemistry, Mar-15, Volume: 190Design, synthesis and structure-activity relationships of 4-phenyl-1H-1,2,3-triazole phenylalanine derivatives as novel HIV-1 capsid inhibitors with promising antiviral activities.
AID1548618Antiviral activity against HIV1 3B infected in human MT4 cells assessed as reduction in virus-induced cell death incubated for 5 days by MTT assay2020Journal of medicinal chemistry, 05-14, Volume: 63, Issue:9
Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.
AID1876424Selectivity index, ratio of CC50 for cytotoxicity against mock infected human MT4 cells to EC50 for antiviral activity against HIV-1 3B infected in human MT4 cells2022European journal of medicinal chemistry, Jan-05, Volume: 227Design, synthesis, and mechanistic investigations of phenylalanine derivatives containing a benzothiazole moiety as HIV-1 capsid inhibitors with improved metabolic stability.
AID1876428Binding affinity to HIV-1 NL4-3 capsid protein monomer assessed as Koff by SPR analysis2022European journal of medicinal chemistry, Jan-05, Volume: 227Design, synthesis, and mechanistic investigations of phenylalanine derivatives containing a benzothiazole moiety as HIV-1 capsid inhibitors with improved metabolic stability.
AID1829594Binding affinity to hexameric C-terminal His-tagged HIV1 NL4-3 capsid protein A14C/E45C/W184A/M185A mutant expressed in Escherichia coli BL21 codon plus (DE3)RIL assessed as dissociation rate constant by SPR analysis2021Journal of medicinal chemistry, 04-08, Volume: 64, Issue:7
Rapid Optimization of the Metabolic Stability of a Human Immunodeficiency Virus Type-1 Capsid Inhibitor Using a Multistep Computational Workflow.
AID1829595Binding affinity to hexameric C-terminal His-tagged HIV1 NL4-3 capsid protein A14C/E45C/W184A/M185A mutant expressed in Escherichia coli BL21 codon plus (DE3)RIL assessed as dissociation constant by SPR analysis2021Journal of medicinal chemistry, 04-08, Volume: 64, Issue:7
Rapid Optimization of the Metabolic Stability of a Human Immunodeficiency Virus Type-1 Capsid Inhibitor Using a Multistep Computational Workflow.
AID1421481Antiviral activity against Human immunodeficiency virus 1 NL4-3 infected in human MT4 cells assessed as protection against virus-induced cytopathic effect after 2 days by bright-glo luciferase reporter gene assay2018European journal of medicinal chemistry, Oct-05, Volume: 158Discovery of phenylalanine derivatives as potent HIV-1 capsid inhibitors from click chemistry-based compound library.
AID1421488Antiviral activity against ENV pseudotyped HIV1 B41 infected in human U87 cells expressing CD4/CCR5 pretreated with virus for 72 hrs followed by infection of cells measured after 48 hrs by luciferase reporter gene assay2018European journal of medicinal chemistry, Oct-05, Volume: 158Discovery of phenylalanine derivatives as potent HIV-1 capsid inhibitors from click chemistry-based compound library.
AID1736747Metabolic stability in human plasma assessed as parent compound remaining after 120 mins by LC/MS/MS method2020European journal of medicinal chemistry, Mar-15, Volume: 190Design, synthesis and structure-activity relationships of 4-phenyl-1H-1,2,3-triazole phenylalanine derivatives as novel HIV-1 capsid inhibitors with promising antiviral activities.
AID1548580Stability in human plasma assessed as compound remaining level at 2 uM incubated for 120 mins at 37 degC by LC-MS/MS analysis2020Journal of medicinal chemistry, 05-14, Volume: 63, Issue:9
Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.
AID1876425Selectivity index, ratio of CC50 for cytotoxicity against mock infected human MT4 cells to EC50 for antiviral activity against HIV-1 ROD infected in human MT4 cells2022European journal of medicinal chemistry, Jan-05, Volume: 227Design, synthesis, and mechanistic investigations of phenylalanine derivatives containing a benzothiazole moiety as HIV-1 capsid inhibitors with improved metabolic stability.
AID1876432Metabolic stability in human liver microsomes assessed as intrinsic clearance2022European journal of medicinal chemistry, Jan-05, Volume: 227Design, synthesis, and mechanistic investigations of phenylalanine derivatives containing a benzothiazole moiety as HIV-1 capsid inhibitors with improved metabolic stability.
AID1887675Binding affinity to HIV1 capsid protein hexamer assessed as rate constant (koff) by SPR analysis2021European journal of medicinal chemistry, Dec-15, Volume: 226Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors.
AID1548621Selectivity index, ratio of CC50 for cytotoxicity in human MT4 cells by MTT assay to EC50 for antiviral activity against against HIV1 3B infected in human MT4 cells by MTT assay2020Journal of medicinal chemistry, 05-14, Volume: 63, Issue:9
Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.
AID1853709Binding affinity to HIV-1 capsid protein 121 expressed in Escherichia coli BL21 (DE3) cells assessed as change in melting temperature at 20 uM measured every 10 sec by RT-PCR based thermal shift assay2021RSC medicinal chemistry, Dec-15, Volume: 12, Issue:12
Potency and metabolic stability: a molecular hybrid case in the design of novel PF74-like small molecules targeting HIV-1 capsid protein.
AID1548619Antiviral activity against HIV2 ROD infected in human MT4 cells assessed as reduction in virus-induced cell death incubated for 5 days by MTT assay2020Journal of medicinal chemistry, 05-14, Volume: 63, Issue:9
Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.
AID1548594Antiviral activity against HIV1 NL4-3 infected in human TZM-bl cells assessed as reduction in virus induced cytopathogenicity incubated for 1 day by luciferase reporter gene assay2020Journal of medicinal chemistry, 05-14, Volume: 63, Issue:9
Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.
AID1548589Binding affinity to HIV1 NL4-3 capsid protein hexamer by SPR analysis2020Journal of medicinal chemistry, 05-14, Volume: 63, Issue:9
Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.
AID1739130Cytotoxicity against human TZM-GFP cells incubated for 72 hrs by by XTT assay2020European journal of medicinal chemistry, Aug-15, Volume: 200Chemical profiling of HIV-1 capsid-targeting antiviral PF74.
AID1887656Antiviral activity against wild type HIV-1 IIIB infected in human MT4 cells assessed as protection against virus-induced cytopathic effect measured after 5 days by MTT assay2021European journal of medicinal chemistry, Dec-15, Volume: 226Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors.
AID1548620Cytotoxicity in mock-infected human MT4 assessed as reduction in cell viability incubated for 5 days by MTT assay2020Journal of medicinal chemistry, 05-14, Volume: 63, Issue:9
Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.
AID1887657Antiviral activity against wild type HIV-1 ROD infected in human MT4 cells assessed as protection against virus-induced cytopathic effect measured after 5 days by MTT assay2021European journal of medicinal chemistry, Dec-15, Volume: 226Design, synthesis, and mechanism study of dimerized phenylalanine derivatives as novel HIV-1 capsid inhibitors.
AID1876435Metabolic stability in human liver microsomes assessed as parent compound remaining measured after 60 mins in absence of NADPH2022European journal of medicinal chemistry, Jan-05, Volume: 227Design, synthesis, and mechanistic investigations of phenylalanine derivatives containing a benzothiazole moiety as HIV-1 capsid inhibitors with improved metabolic stability.
AID1548576Intrinsic clearance in human liver derived from clearance in liver microsomes in presence of NADPH regenerating system by LC-MS/MS analysis2020Journal of medicinal chemistry, 05-14, Volume: 63, Issue:9
Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.
AID1548599Induction of of HIV1 NL4-3 capsid protein assembly at 50 uM measured every 1 min for 19 mins2020Journal of medicinal chemistry, 05-14, Volume: 63, Issue:9
Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347159Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347160Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID977611Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB2014PLoS pathogens, Oct, Volume: 10, Issue:10
Host cofactors and pharmacologic ligands share an essential interface in HIV-1 capsid that is lost upon disassembly.
AID977611Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB2014Proceedings of the National Academy of Sciences of the United States of America, Dec-30, Volume: 111, Issue:52
Structural basis of HIV-1 capsid recognition by PF74 and CPSF6.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (35)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's0 (0.00)29.6817
2010's20 (57.14)24.3611
2020's15 (42.86)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 10.99

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 Index10.99 (24.57)
Research Supply Index3.58 (2.92)
Research Growth Index4.58 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (10.99)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews1 (2.86%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other34 (97.14%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
verapamil
Verapamil: A calcium channel blocker that is a class IV anti-arrhythmia agent.. verapamil : A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine.. 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile : A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.		2.6920aromatic ether;
nitrile;
polyether;
tertiary amino compound
diclofenac
Diclofenac: A non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions. It is primarily available as the sodium salt.. diclofenac : A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position.		3.2140amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
ebselen
ebselen : A benzoselenazole that is 1,2-benzoselenazol-3-one carrying an additional phenyl substituent at position 2. Acts as a mimic of glutathione peroxidase.		3.4110benzoselenazoleanti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger
propafenone
Propafenone: An antiarrhythmia agent that is particularly effective in ventricular arrhythmias. It also has weak beta-blocking activity.. propafenone : An aromatic ketone that is 3-(propylamino)propane-1,2-diol in which the hydrogen of the primary hydroxy group is replaced by a 2-(3-phenylpropanoyl)phenyl group. It is a class 1C antiarrhythmic drug with local anesthetic effects, and is used as the hydrochloride salt in the management of supraventricular and ventricular arrhythmias.		3.0130aromatic ketone;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug
phenylalanine
Phenylalanine: An essential aromatic amino acid that is a precursor of MELANIN; DOPAMINE; noradrenalin (NOREPINEPHRINE), and THYROXINE.. L-phenylalanine : The L-enantiomer of phenylalanine.. phenylalanine : An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group.		4.59220amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
phenylalanine;
proteinogenic amino acid		algal metabolite;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
Escherichia coli metabolite;
human xenobiotic metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
indazoles
Indazoles: A group of heterocyclic aromatic organic compounds consisting of the fusion of BENZENE and PYRAZOLES.		2.6320indazole
propantheline bromide
[no description available]		2.6620xanthenes
rilpivirine
[no description available]		2.2510aminopyrimidine;
nitrile		EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor
ConditionIndicatedRelationship StrengthStudiesTrials
HIV Coinfection
[description not available]		03.84100
HIV Infections
Includes the spectrum of human immunodeficiency virus infections that range from asymptomatic seropositivity, thru AIDS-related complex (ARC), to acquired immunodeficiency syndrome (AIDS).		03.84100
Congenital Zika Syndrome
[description not available]		02.2510
Disease Models, Animal
Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.		02.2510
Zika Virus Infection
A viral disease transmitted by the bite of AEDES mosquitoes infected with ZIKA VIRUS. Its mild DENGUE-like symptoms include fever, rash, headaches and ARTHRALGIA. The viral infection during pregnancy, in rare cases, is associated with congenital brain and ocular abnormalities, called Congenital Zika Syndrome, including MICROCEPHALY and may also lead to GUILLAIN-BARRE SYNDROME.		02.2510
Zoonoses
Diseases of non-human animals that may be transmitted to HUMANS or may be transmitted from humans to non-human animals.		02.2510
AIDS, Simian
[description not available]		02.2510
AIDS Seroconversion
[description not available]		02.2110
Disease Resistance
The capacity of an organism to defend itself against pathological processes or the agents of those processes. This most often involves innate immunity whereby the organism responds to pathogens in a generic way. The term disease resistance is used most frequently when referring to plants.		02.2110