Compounds > je 2147
Page last updated: 2024-11-08

je 2147

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Cross-References

ID SourceID
PubMed CID446837
CHEMBL ID300891
SCHEMBL ID417698
MeSH IDM0331929

Synonyms (31)

Synonym
je2 ,
(4r)-3-{(2s,3s)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-n-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide
kni-764
ag1776
(4r)-3-[(2s,3s)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-5,5-dimethyl-n-(o-tolylmethyl)thiazolidine-4-carboxamide
sm-319777
je-2147
4-thiazolidinecarboxamide, 3-[(2s,3s)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-1-oxo-4-phenylbutyl]-5,5-dimethyl-n-[(2-methylphenyl)methyl]-, (4r)-
186538-00-1
ag 1776
2ANL
1MSN ,
1KZK
1MSM
DB02668
(4r)-3-[(2s,3s)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl]-5,5-dimethyl-n-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CHEMBL300891 ,
bdbm50288366
4-thiazolidinecarboxamide, 3-((2s,3s)-2-hydroxy-3-((3-hydroxy-2-methylbenzoyl)amino)-1-oxo-4-phenylbutyl)-5,5-dimethyl-n-((2-methylphenyl)methyl)-, (4r)-
(4r)-3-[(2s,3s)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenyl-butanoyl]-5,5-dimethyl-n-[(2-methylphenyl)methyl]thiazolidine-4-carboxamide
SCHEMBL417698
CUFQBQOBLVLKRF-RZDMPUFOSA-N
(4r)-3-[(2s,3s)-2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)4-phenyl-butyryl]-5,5-dimethyl-thiazolidine-4-carboxylic acid 2-methyl-benzylamide
(4r)-3-[(2s,3s)-2-hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenyl-butyryl]-5,5-dimethyl-thiazolidine-4-carboxylic acid 2-methyl-benzylamide
DTXSID30171914
AKOS027461139
je-2147; ag1776; kni-764
Q27461688
(r)-3-((2s,3s)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-phenylbutanoyl)-5,5-dimethyl-n-(2-methylbenzyl)thiazolidine-4-carboxamide
CS-0018263
HY-100212

Research Excerpts

Bioavailability

ExcerptReferenceRelevance
" The present study demonstrated that JE-2147 has potent antiviral activities in vitro and exhibits good oral bioavailability and plasma pharmacokinetic profiles in two species of laboratory animals."( Structure-activity relationship of small-sized HIV protease inhibitors containing allophenylnorstatine.
Fukazawa, T; Hayashi, H; Kato, R; Kiso, Y; Mimoto, T; Misawa, S; Nojima, S; Sato, H; Shintani, M; Takaku, H; Terashima, K; Ueno, T, 1999)		0.3
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (17)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, ProteaseHuman immunodeficiency virusKi0.00000.00000.00000.0000AID977610
Chain B, ProteaseHuman immunodeficiency virusKi0.00000.00000.00000.0000AID977610
Chain A, plasmepsin IVPlasmodium malariaeKi0.11000.11000.11000.1100AID977610
Gag-Pol polyproteinHuman immunodeficiency virus type 1 (BRU ISOLATE)Ki0.00010.00000.08283.3000AID1795271
Gag-Pol polyproteinHIV-1 M:B_HXB2RKi0.00230.00000.51449.0000AID1797107
Gag-Pol polyproteinHuman immunodeficiency virus type 1 (NEW YORK-5 ISOLATE)Ki0.00030.00000.12203.1000AID1795265
Plasmepsin-2Plasmodium falciparum (malaria parasite P. falciparum)IC50 (µMol)0.03000.00040.69632.4000AID437092
Protease Human immunodeficiency virus 1Ki0.00030.00000.04433.1000AID160444
Protease Human immunodeficiency virus 1Ki0.00000.00000.02841.1000AID321660; AID442702
[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)
Chain A, POL polyproteinHuman immunodeficiency virus 1Kd0.00040.00000.00040.0008AID977611
Chain B, POL polyproteinHuman immunodeficiency virus 1Kd0.00040.00000.00040.0008AID977611
Chain A, POL polyproteinHuman immunodeficiency virus 1Kd0.00040.00000.00040.0008AID977611
Chain B, POL polyproteinHuman immunodeficiency virus 1Kd0.00040.00000.00040.0008AID977611
Chain A, POL polyproteinHuman immunodeficiency virus 1Kd0.00040.00000.00040.0008AID977611
Chain B, POL polyproteinHuman immunodeficiency virus 1Kd0.00040.00000.00040.0008AID977611
Chain A, POL polyproteinHuman immunodeficiency virus 1Kd0.00040.00000.00040.0008AID977611
Chain B, POL polyproteinHuman immunodeficiency virus 1Kd0.00040.00000.00040.0008AID977611
Protease Human immunodeficiency virus 1EC50 (µMol)2.73000.00070.69422.7300AID1350502
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (2)

Processvia Protein(s)Taxonomy
viral life cycleGag-Pol polyproteinHIV-1 M:B_HXB2R
establishment of integrated proviral latencyGag-Pol polyproteinHIV-1 M:B_HXB2R
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (2)

Processvia Protein(s)Taxonomy
peptidase activityGag-Pol polyproteinHIV-1 M:B_HXB2R
integrase activityGag-Pol polyproteinHIV-1 M:B_HXB2R
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (68)

Assay IDTitleYearJournalArticle
AID442701Inhibition of HIV1 recombinant protease at 1 nM after 15 mins by fluorescence assay2009Journal of medicinal chemistry, Dec-10, Volume: 52, Issue:23
Small-sized human immunodeficiency virus type-1 protease inhibitors containing allophenylnorstatine to explore the S2' pocket.
AID321658Metabolic stability in human liver microsomes assessed as compound remaining at 5 uM in presence of NADPH by RP-HPLC2008Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3
Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure.
AID22438Volume of distribution (Vdss) was determined in dogs after intravenous administration of 25 mg/kg of the compound.1999Journal of medicinal chemistry, May-20, Volume: 42, Issue:10
Structure-activity relationship of small-sized HIV protease inhibitors containing allophenylnorstatine.
AID321677Metabolic stability in rat liver microsomes assessed as compound remaining at 5 uM in presence of 0.5 uM ritonavir by RP-HPLC2008Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3
Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure.
AID13537Area under curve (AUC) was determined in fasted dogs after oral administration of 25 mg/kg of the compound1999Journal of medicinal chemistry, May-20, Volume: 42, Issue:10
Structure-activity relationship of small-sized HIV protease inhibitors containing allophenylnorstatine.
AID437096Inhibition of Plasmodium malariae plasmepsin-42009Bioorganic & medicinal chemistry, Aug-15, Volume: 17, Issue:16
alpha-Substituted norstatines as the transition-state mimic in inhibitors of multiple digestive vacuole malaria aspartic proteases.
AID18605Percent bioavailability (F%) was determined in fasted dogs after oral administration of 25 mg/kg of the compound.1999Journal of medicinal chemistry, May-20, Volume: 42, Issue:10
Structure-activity relationship of small-sized HIV protease inhibitors containing allophenylnorstatine.
AID15524Plasma clearance rate (CL) was determined in dogs after intravenous administration of 25 mg/kg of the compound.1999Journal of medicinal chemistry, May-20, Volume: 42, Issue:10
Structure-activity relationship of small-sized HIV protease inhibitors containing allophenylnorstatine.
AID442705Antiviral activity against HIV1 pNL4-3 infected in human MT4 cells assessed as inhibition of virus-induced cytopathic effect after 5 days by MTT assay2009Journal of medicinal chemistry, Dec-10, Volume: 52, Issue:23
Small-sized human immunodeficiency virus type-1 protease inhibitors containing allophenylnorstatine to explore the S2' pocket.
AID20769Time of maximum plasma concentration (Tmax) was determined in fasted dogs after oral administration of 25 mg/kg of the compound.1999Journal of medicinal chemistry, May-20, Volume: 42, Issue:10
Structure-activity relationship of small-sized HIV protease inhibitors containing allophenylnorstatine.
AID13536Area under curve (AUC) was determined in dogs fed after oral administration of 25 mg/kg of the compound1999Journal of medicinal chemistry, May-20, Volume: 42, Issue:10
Structure-activity relationship of small-sized HIV protease inhibitors containing allophenylnorstatine.
AID437092Inhibition of Plasmodium falciparum plasmepsin-22009Bioorganic & medicinal chemistry, Aug-15, Volume: 17, Issue:16
alpha-Substituted norstatines as the transition-state mimic in inhibitors of multiple digestive vacuole malaria aspartic proteases.
AID321662Antiviral activity against HIV1 3B in presence of 50% human serum2008Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3
Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure.
AID18604Percent bioavailability (F%) was determined in dogs fed after oral administration of 25 mg/kg of the compound1999Journal of medicinal chemistry, May-20, Volume: 42, Issue:10
Structure-activity relationship of small-sized HIV protease inhibitors containing allophenylnorstatine.
AID321683Metabolic stability in human liver microsomes assessed as compound remaining at 5 uM in presence of 0.5 uM ritonavir by RP-HPLC2008Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3
Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure.
AID321679Metabolic stability in dog liver microsomes assessed as compound remaining at 5 uM by RP-HPLC2008Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3
Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure.
AID160444Inhibition of recombinant HIV-1 protease (NY-5)1999Journal of medicinal chemistry, May-20, Volume: 42, Issue:10
Structure-activity relationship of small-sized HIV protease inhibitors containing allophenylnorstatine.
AID1350495Antiviral activity against wild-type HIV1 pNL4-3 infected in human MT4 cells assessed as inhibition of virus-induced cytopathic effect after 5 days in absence of human serum by MTT assay2018Journal of medicinal chemistry, 06-28, Volume: 61, Issue:12
Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine.
AID45886Antiviral activity was determined based on inhibition of HIV-1 IIIB induced cytopathic effects in CEM-SS cells in vitro using tetrazolium reagent.1999Journal of medicinal chemistry, May-20, Volume: 42, Issue:10
Structure-activity relationship of small-sized HIV protease inhibitors containing allophenylnorstatine.
AID442702Inhibition of HIV1 recombinant protease after 15 mins by fluorescence assay2009Journal of medicinal chemistry, Dec-10, Volume: 52, Issue:23
Small-sized human immunodeficiency virus type-1 protease inhibitors containing allophenylnorstatine to explore the S2' pocket.
AID14274Maximum plasma concentration (Cmax) was determined in fasted dogs after oral administration of 25 mg/kg of the compound.1999Journal of medicinal chemistry, May-20, Volume: 42, Issue:10
Structure-activity relationship of small-sized HIV protease inhibitors containing allophenylnorstatine.
AID18603Bioavailability in rat after i.d. administration1999Journal of medicinal chemistry, May-20, Volume: 42, Issue:10
Structure-activity relationship of small-sized HIV protease inhibitors containing allophenylnorstatine.
AID162546Inhibition of recombinant HIV-1 protease (NY-5) using 50 nM1999Journal of medicinal chemistry, May-20, Volume: 42, Issue:10
Structure-activity relationship of small-sized HIV protease inhibitors containing allophenylnorstatine.
AID1350499Antiviral activity against wild-type HIV1 3B infected in human MT4 cells assessed as inhibition of virus-induced cytopathic effect after 5 days in presence of 50 % of human serum by MTT assay2018Journal of medicinal chemistry, 06-28, Volume: 61, Issue:12
Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine.
AID442713Antiviral activity against indinavir-resistant HIV1 harboring L10R/M46I/L63P/V82T/I84V mutant protease infected in human MT4 cells assessed as inhibition of virus-induced cytopathic effect after 5 days by MTT assay2009Journal of medicinal chemistry, Dec-10, Volume: 52, Issue:23
Small-sized human immunodeficiency virus type-1 protease inhibitors containing allophenylnorstatine to explore the S2' pocket.
AID321665Tmax in Beagle dog at 15 mg/kg, po2008Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3
Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure.
AID442704Antiviral activity against HIV1 3B infected in human MT4 cells assessed as inhibition of virus-induced cytopathic effect after 5 days by MTT assay2009Journal of medicinal chemistry, Dec-10, Volume: 52, Issue:23
Small-sized human immunodeficiency virus type-1 protease inhibitors containing allophenylnorstatine to explore the S2' pocket.
AID321661Antiviral activity against HIV1 3B2008Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3
Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure.
AID21477Plasma half life was determined in rats after intravenous administration of the drug.1999Journal of medicinal chemistry, May-20, Volume: 42, Issue:10
Structure-activity relationship of small-sized HIV protease inhibitors containing allophenylnorstatine.
AID321676Metabolic stability in rat liver microsomes assessed as compound remaining at 5 uM by RP-HPLC2008Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3
Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure.
AID321678Metabolic stability in rat liver microsomes assessed as compound remaining at 5 uM in presence of 2.5 uM ritonavir by RP-HPLC2008Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3
Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure.
AID20767Time of maximum plasma concentration (Tmax) was determined in dogs fed after oral administration of 25 mg/kg of the compound.1999Journal of medicinal chemistry, May-20, Volume: 42, Issue:10
Structure-activity relationship of small-sized HIV protease inhibitors containing allophenylnorstatine.
AID1350503Ratio of EC50 for inhibition of protease L10F/V32I/M46I/I47V/Q58E/I84V mutant in HIV1 A17 infected in human MT4 cells to EC50 for wild-type HIV-1 pNL4-3 infected in human MT4 cells2018Journal of medicinal chemistry, 06-28, Volume: 61, Issue:12
Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine.
AID21476Plasma half life was determined in dogs after intravenous administration of 25 mg/kg of the compound.1999Journal of medicinal chemistry, May-20, Volume: 42, Issue:10
Structure-activity relationship of small-sized HIV protease inhibitors containing allophenylnorstatine.
AID1350494Inhibition of recombinant HIV1 protease at 1 nM using H-Lys-Ala-Arg-Val-Tyr-Phe(p-NO2)-Glu-Ala-Nle-NH2 as substrate preincubated for 5 mins followed by substrate addition measured after 3 hrs by fluorescence-based assay2018Journal of medicinal chemistry, 06-28, Volume: 61, Issue:12
Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine.
AID321682Metabolic stability in human liver microsomes assessed as compound remaining at 5 uM by RP-HPLC2008Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3
Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure.
AID46077Toxic concentration was determined for CEM-SS cells1999Journal of medicinal chemistry, May-20, Volume: 42, Issue:10
Structure-activity relationship of small-sized HIV protease inhibitors containing allophenylnorstatine.
AID442714Fold resistance, ratio of EC50 for indinavir-resistant HIV1 harboring L10R/M46I/L63P/V82T/I84V mutant protease infected in human MT4 cells to EC50 for HIV1 pNL4-3 infected in human MT4 cells2009Journal of medicinal chemistry, Dec-10, Volume: 52, Issue:23
Small-sized human immunodeficiency virus type-1 protease inhibitors containing allophenylnorstatine to explore the S2' pocket.
AID321666Volume of distribution at steady state in Beagle dog at 15 mg/kg, iv2008Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3
Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure.
AID321659Metabolic stability in human liver microsomes assessed as compound remaining at 5 uM in presence of UDPGA by RP-HPLC2008Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3
Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure.
AID321664Cmax in Beagle dog at 15 mg/kg, po2008Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3
Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure.
AID321660Inhibition of HIV1 protease2008Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3
Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure.
AID321674Metabolic stability in dog liver microsomes assessed as compound remaining in presence of NADPH by RP-HPLC2008Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3
Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure.
AID321667Plasma clearance in Beagle dog at 15 mg/kg, iv2008Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3
Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure.
AID13535Area under curve (AUC) was determined in dogs fed after intravenous administration of 25 mg/kg of the compound1999Journal of medicinal chemistry, May-20, Volume: 42, Issue:10
Structure-activity relationship of small-sized HIV protease inhibitors containing allophenylnorstatine.
AID1350504Cytotoxicity against human MT4 cells after 5 days by MTT assay2018Journal of medicinal chemistry, 06-28, Volume: 61, Issue:12
Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine.
AID321681Metabolic stability in dog liver microsomes assessed as compound remaining at 5 uM in presence of 2.5 uM ritonavir by RP-HPLC2008Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3
Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure.
AID321668Oral bioavailability in Beagle dog at 15 mg/kg2008Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3
Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure.
AID14099Maximum plasma concentration (Cmax) was determined in rats after intraduodenal administration of the drug1999Journal of medicinal chemistry, May-20, Volume: 42, Issue:10
Structure-activity relationship of small-sized HIV protease inhibitors containing allophenylnorstatine.
AID442703Inhibition of HIV1 recombinant protease at 50 nM after 15 mins by fluorescence assay2009Journal of medicinal chemistry, Dec-10, Volume: 52, Issue:23
Small-sized human immunodeficiency virus type-1 protease inhibitors containing allophenylnorstatine to explore the S2' pocket.
AID321675Metabolic stability in dog liver microsomes assessed as compound remaining in presence of UDPGA by RP-HPLC2008Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3
Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure.
AID14273Maximum plasma concentration (Cmax) was determined in dogs fed after oral administration of 25 mg/kg of the compound.1999Journal of medicinal chemistry, May-20, Volume: 42, Issue:10
Structure-activity relationship of small-sized HIV protease inhibitors containing allophenylnorstatine.
AID321684Metabolic stability in human liver microsomes assessed as compound remaining at 5 uM in presence of 2.5 uM ritonavir by RP-HPLC2008Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3
Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure.
AID1350501Ratio of EC50 for wild-type HIV1 3B infected in human MT4 in presence of 50% of huma serum to EC50 for wild-type HIV-1 pNL4-3 infected in human MT4 in absence of human serum2018Journal of medicinal chemistry, 06-28, Volume: 61, Issue:12
Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine.
AID321663AUC in Beagle dog at 15 mg/kg, po2008Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3
Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure.
AID321669Plasma concentration in Beagle dog at 15 mg/kg, po after 12 hrs2008Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3
Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure.
AID321680Metabolic stability in dog liver microsomes assessed as compound remaining at 5 uM in presence of 0.5 uM ritonavir by RP-HPLC2008Bioorganic & medicinal chemistry, Feb-01, Volume: 16, Issue:3
Structure-activity relationships of novel HIV-1 protease inhibitors containing the 3-amino-2-chlorobenzoyl-allophenylnorstatine structure.
AID20768Time of maximum plasma concentration (Tmax) was determined in rats after intraduodenal administration of the drug.1999Journal of medicinal chemistry, May-20, Volume: 42, Issue:10
Structure-activity relationship of small-sized HIV protease inhibitors containing allophenylnorstatine.
AID1350502Inhibition of protease L10F/V32I/M46I/I47V/Q58E/I84V mutant in HIV1 A17 infected in human MT4 cells assessed as reduction in virus-induced cytopathic effect after 5 days by MTT assay2018Journal of medicinal chemistry, 06-28, Volume: 61, Issue:12
Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine.
AID1811Experimentally measured binding affinity data derived from PDB2004Proteins, May-15, Volume: 55, Issue:3
A structural and thermodynamic escape mechanism from a drug resistant mutation of the HIV-1 protease.
AID977611Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB2004Proteins, May-15, Volume: 55, Issue:3
A structural and thermodynamic escape mechanism from a drug resistant mutation of the HIV-1 protease.
AID1795271Protease Inhibition Assay from Article 10.1021/bi035701y: \\Secondary mutations M36I and A71V in the human immunodeficiency virus type 1 protease can provide an advantage for the emergence of the primary mutation D30N.\\2003Biochemistry, Dec-30, Volume: 42, Issue:51
Secondary mutations M36I and A71V in the human immunodeficiency virus type 1 protease can provide an advantage for the emergence of the primary mutation D30N.
AID1797107Protease Inhibition Assay from Article 10.1021/bi049459m: \\Comparing the accumulation of active- and nonactive-site mutations in the HIV-1 protease.\\2004Biochemistry, Sep-28, Volume: 43, Issue:38
Comparing the accumulation of active- and nonactive-site mutations in the HIV-1 protease.
AID1795265Protease Inhibition Assay from Article 10.1021/jm980637h: \\Structure-activity relationship of small-sized HIV protease inhibitors containing allophenylnorstatine.\\1999Journal of medicinal chemistry, May-20, Volume: 42, Issue:10
Structure-activity relationship of small-sized HIV protease inhibitors containing allophenylnorstatine.
AID1811Experimentally measured binding affinity data derived from PDB2006Acta crystallographica. Section D, Biological crystallography, Mar, Volume: 62, Issue:Pt 3
Structure of the aspartic protease plasmepsin 4 from the malarial parasite Plasmodium malariae bound to an allophenylnorstatine-based inhibitor.
AID977610Experimentally measured binding affinity data (Ki) for protein-ligand complexes derived from PDB2006Acta crystallographica. Section D, Biological crystallography, Mar, Volume: 62, Issue:Pt 3
Structure of the aspartic protease plasmepsin 4 from the malarial parasite Plasmodium malariae bound to an allophenylnorstatine-based inhibitor.
AID977610Experimentally measured binding affinity data (Ki) for protein-ligand complexes derived from PDB2002Biochemistry, Apr-09, Volume: 41, Issue:14
Anisotropic dynamics of the JE-2147-HIV protease complex: drug resistance and thermodynamic binding mode examined in a 1.09 A structure.
AID1811Experimentally measured binding affinity data derived from PDB2002Biochemistry, Apr-09, Volume: 41, Issue:14
Anisotropic dynamics of the JE-2147-HIV protease complex: drug resistance and thermodynamic binding mode examined in a 1.09 A structure.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (10)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's1 (10.00)18.2507
2000's8 (80.00)29.6817
2010's1 (10.00)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.79

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 Index12.79 (24.57)
Research Supply Index2.40 (2.92)
Research Growth Index5.18 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.79)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other10 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
kynostatin 272
kynostatin 272: structure given in first source; contains allophenylnorstatine as a transition-state mimic		2.7230peptide
nelfinavir
Nelfinavir: A potent HIV protease inhibitor. It is used in combination with other antiviral drugs in the treatment of HIV in both adults and children.. nelfinavir : An aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties.		2.7130aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor
kynostatin 227
kynostatin 227: structure given in first source; contains allophenylnorstatine as a transition-state mimic		210
amprenavir
[no description available]		2.0410carbamate ester;
sulfonamide;
tetrahydrofuryl ester		antiviral drug;
HIV protease inhibitor
lopinavir
[no description available]		2.7630amphetamines;
dicarboxylic acid diamide		anticoronaviral agent;
antiviral drug;
HIV protease inhibitor
atazanavir
atazanavir : A heavily substituted carbohydrazide that is an antiretroviral drug of the protease inhibitor (PI) class used to treat infection of human immunodeficiency virus (HIV).		2.0410carbohydrazideantiviral drug;
HIV protease inhibitor
darunavir
Darunavir: An HIV PROTEASE INHIBITOR that is used in the treatment of AIDS and HIV INFECTIONS. Due to the emergence of ANTIVIRAL DRUG RESISTANCE when used alone, it is administered in combination with other ANTI-HIV AGENTS.. darunavir : An N,N-disubstituted benzenesulfonamide bearing an unsubstituted amino group at the 4-position, used for the treatment of HIV infection. A second-generation HIV protease inhibitor, darunavir was designed to form robust interactions with the protease enzyme from many strains of HIV, including those from treatment-experienced patients with multiple resistance mutations to other protease inhibitors.		2.1710carbamate ester;
furofuran;
sulfonamide		antiviral drug;
HIV protease inhibitor
ritonavir
Ritonavir: An HIV protease inhibitor that works by interfering with the reproductive cycle of HIV. It also inhibits CYTOCHROME P-450 CYP3A.. ritonavir : An L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.		2.71301,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
saquinavir
Saquinavir: An HIV protease inhibitor which acts as an analog of an HIV protease cleavage site. It is a highly specific inhibitor of HIV-1 and HIV-2 proteases, and also inhibits CYTOCHROME P-450 CYP3A.. saquinavir : An aspartic acid derivative obtained by formal condensation of the primary amino group of (2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-ylamine with the carboxy group of N(2)(-quinolin-2-ylcarbonyl)-L-asparagine. An inhibitor of HIV-1 protease.		2.0410L-asparagine derivative;
quinolines		antiviral drug;
HIV protease inhibitor
kni-727
KNI-727: structure in first source		2.4220
indinavir sulfate
Indinavir: A potent and specific HIV protease inhibitor that appears to have good oral bioavailability.		2.7130dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide		HIV protease inhibitor
kni 10006
[no description available]		2.0510
ConditionIndicatedRelationship StrengthStudiesTrials
Sensitivity and Specificity
Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)		02.0410