Page last updated: 2024-12-10

hby 097

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

Description

HBY 097: a quinoxaline derivative [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID3000493
CHEMBL ID430488
SCHEMBL ID1075704
MeSH IDM0245599

Synonyms (37)

Synonym
bdbm2737
3,4-dihydroquinoxaline-2(1h)-thione derivative
propan-2-yl (2s)-7-methoxy-2-[(methylsulfanyl)methyl]-3-sulfanylidene-1,2,3,4-tetrahydroquinoxaline-1-carboxylate
bay-10-8979
hby 097
163451-80-7
isopropyl (2s)-7-methoxy-2-(methylsulfanylmethyl)-3-thioxo-2,4-dihydroquinoxaline-1-carboxylate
hby-097
(s)-7-methoxy-3,4-dihydro-2-[(methylthio)methyl]-3-thioxo-2(1h)-quinoxalinecarboxylic acid, isopropyl ester
talviraline
hby097
quinotaline
(s)-4-isopropoxycarbonyl-6-methoxy-3-methylthiomethyl-3,4-dihydroquinoxalin-2(1h)-thione
HBY ,
1BQN
1BQM
1-methylethyl 7-methoxy-2-((methylthio)methyl)-3-thioxo-3,4-dihydro-1(2h)-quinoxalinecarboxylate
1(2h)-quninoxalinecarboxylic acid, 3,4-dihydro-7-methoxy-2-((methylthio)methyl)-3-thioxo-, 1-methylethyl ester, (2s)-
isopropyl (2s)-3,4-dihydro-7-methoxy-2-((methylthio)methyl)-3-thioxo-1(2h)-quinoxalinecarboxylate
DB07885
CHEMBL430488
propan-2-yl (2s)-7-methoxy-2-(methylsulfanylmethyl)-3-sulfanylidene-2,4-dihydroquinoxaline-1-carboxylate
propan-2-yl 7-methoxy-2-(methylsulfanylmethyl)-3-sulfanylidene-2,4-dihydroquinoxaline-1-carboxylate
xz4kt6mo4x ,
unii-xz4kt6mo4x
talviraline [inn]
SCHEMBL1075704
3,4-dihydro-7-methoxy-2-((methylthio)-methyl)-3-thioxo-1(2h)-quinoxalinecarboxylic acid 1-methylethyl ester, s-
1(2h)-quinoxalinecarboxylic acid, 3,4-dihydro-7-methoxy-2-((methylthio)methyl)-3-thioxo-, 1-methylethyl ester, (2s)-
talviraline [mart.]
talviraline [who-dd]
DTXSID10168701
169312-27-0
1-methylethyl (2s)-7-methoxy-2-[(methylsulfanyl)methyl]-3-thioxo-3,4-dihydroquinoxaline-1(2h)-carboxylate
Q27097093
propan-2-yl (2s)-7-methoxy-2-(methylsulfanylmethyl)-3-sulfanyl-2h-quinoxaline-1-carboxylate
AKOS040749611

Research Excerpts

Pharmacokinetics

ExcerptReferenceRelevance
" Thus, the potential pharmacokinetic (PK) interaction between these drugs was evaluated."( Altered pharmacokinetics of indinavir by a novel nonnucleoside reverse transcriptase inhibitor (HBY-097): a pharmacokinetic evaluation in HIV-positive patients.
Aweeka, F; Hayashi, S; Jayesekera, D; Jayewardene, A; Shah, A; Thevanayagam, L, 1999
)
0.3

Compound-Compound Interactions

ExcerptReferenceRelevance
" HBY 097 caused pronounced acute suppression of HIV-1 replication both in combination with zidovudine and alone."( Antiviral activity of the human immunodeficiency virus type 1-specific nonnucleoside reverse transcriptase inhibitor HBY 097 alone and in combination with zidovudine in a phase II study. HBY 097/2001 Study Group.
Balzarini, J; Dunkler, A; Kleim, JP; Merigan, TC; Oette, D; Riess, G; Suarez, JR; Winkler, I; Winters, M, 1999
)
0.3

Bioavailability

ExcerptReferenceRelevance
" The drug was demonstrated to possess a favorable toxicity profile and to show good oral bioavailability in both mice and dogs."( Preclinical evaluation of HBY 097, a new nonnucleoside reverse transcriptase inhibitor of human immunodeficiency virus type 1 replication.
Bender, R; Kaiser, R; Kirsch, R; Kleim, JP; Meichsner, C; Paessens, A; Rösner, M; Rübsamen-Waigmann, H; Schneweis, KE; Wichers, M, 1995
)
0.29
" Preliminary pharmacokinetics in rats showed that compound 18 is orally bioavailable and penetrates well into the brain."( Urea-PETT compounds as a new class of HIV-1 reverse transcriptase inhibitors. 3. Synthesis and further structure-activity relationship studies of PETT analogues.
Bäckbro, K; Engelhardt, P; Fridborg, K; Högberg, M; Johansson, NG; Kangasmetsä, J; Lövgren, S; Noréen, R; Oberg, B; Sahlberg, BL; Sahlberg, C; Unge, T; Vrang, L; Zhang, H, 1999
)
0.3
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (6)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, REVERSE TRANSCRIPTASEHuman immunodeficiency virus 1IC50 (µMol)0.32250.04500.32250.6000AID977608
Chain B, REVERSE TRANSCRIPTASEHuman immunodeficiency virus 1IC50 (µMol)0.32250.04500.32250.6000AID977608
Chain A, REVERSE TRANSCRIPTASEHuman immunodeficiency virus 1IC50 (µMol)0.32250.04500.32250.6000AID977608
Chain B, REVERSE TRANSCRIPTASEHuman immunodeficiency virus 1IC50 (µMol)0.32250.04500.32250.6000AID977608
Gag-Pol polyproteinHIV-1 M:B_HXB2RIC50 (µMol)0.02430.00060.91418.3200AID1795423
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Other Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Reverse transcriptase/RNaseH Human immunodeficiency virus 1Activity0.00600.00091.30738.0000AID199980
[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 (3)

Assay IDTitleYearJournalArticle
AID977608Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB1998Journal of molecular biology, Nov-27, Volume: 284, Issue:2
Structures of Tyr188Leu mutant and wild-type HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor HBY 097: inhibitor flexibility is a useful design feature for reducing drug resistance.
AID199980Inhibitory activity against human immunodeficiency virus type 1 reverse transcriptase (HIV-1 RT)2002Journal of medicinal chemistry, Jul-04, Volume: 45, Issue:14
Prediction of activity for nonnucleoside inhibitors with HIV-1 reverse transcriptase based on Monte Carlo simulations.
AID1795423HIV-1 RT Assay from Article 10.1021/jm990095j: \\Urea-PETT compounds as a new class of HIV-1 reverse transcriptase inhibitors. 3. Synthesis and further structure-activity relationship studies of PETT analogues.\\1999Journal of medicinal chemistry, Oct-07, Volume: 42, Issue:20
Urea-PETT compounds as a new class of HIV-1 reverse transcriptase inhibitors. 3. Synthesis and further structure-activity relationship studies of PETT analogues.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (22)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's16 (72.73)18.2507
2000's5 (22.73)29.6817
2010's1 (4.55)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials5 (22.73%)5.53%
Reviews1 (4.55%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other16 (72.73%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]