Page last updated: 2024-11-10

2-(2-(5-bromo-1h-indol-3-yl)ethyl)-3-(1-methylethoxyphenyl)-4-(3h)-quinazolinone

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Description

2-(2-(5-bromo-1H-indol-3-yl)ethyl)-3-(1-methylethoxyphenyl)-4-(3H)-quinazolinone: CCK2 receptor antagonist [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID4355450
CHEMBL ID37312
CHEBI ID92592
SCHEMBL ID9002941
MeSH IDM0399830

Synonyms (37)

Synonym
HMS3267O07
BRD-K33864865-001-01-7
NCGC00024941-01 ,
tocris-1018
CHEMBL37312 ,
L005998
bdbm50006842
2-[2-(5-bromo-1h-indol-3-yl)-ethyl]-3-(3-isopropoxy-phenyl)-3h-quinazolin-4-one
2-[2-(5-bromo-1h-indol-3-yl)ethyl]-3-(3-propan-2-yloxyphenyl)quinazolin-4-one
FT-0643190
2-[2-(5-bromo-1h-indol-3-yl)ethyl]-3-[3-(1-methylethoxy)phenyl]-4-(3h)-quinazolinone
2-[2-(5-bromo-1h-indol-3-yl)ethyl]-3-[3-(1-methylethoxy )phenyl]-4-(3h)-quinazolinone
ly225910
ly-225910
ly 225910
2-(2-(5-bromo-1h-indol-3-yl)ethyl)-3-(1-methylethoxyphenyl)-4-(3h)-quinazolinone
4(3h)-quinazolinone, 2-(2-(5-bromo-1h-indol-3-yl)ethyl)-3-(3-(1-methylethoxy)phenyl)-
133040-77-4
AKOS022180694
KUECXUACQOYKNB-UHFFFAOYSA-N ,
2-[2-(5-bromoindol-3-yl)ethyl]-3-(3-isopropoxyphenyl)-4-quinazolinone
SCHEMBL9002941
2-[2-(5-bromo-1h-indol-3-yl)ethyl]-3-[3-(1-methylethoxy)phenyl]-4-(3h)-quinazoline
sr-01000597461
SR-01000597461-1
CHEBI:92592
ly225910, >=98% (hplc)
J-006291
2-(2-(5-bromo-1h-indol-3-yl)ethyl)-3-(3-isopropoxyphenyl)quinazolin-4(3h)-one
DTXSID90927914
2-[2-(5-bromo-1h-indol-3-yl)ethyl]-3-{3-[(propan-2-yl)oxy]phenyl}quinazolin-4(3h)-one
Q27164311
2-[2-(5-bromo-1h-indol-3-yl)ethyl]-3-(3-propan-2-yloxyphenyl)-4-quinazolinone
HMS3675P20
ly225910;ly-225910
HMS3411P20
4(3h)-quinazolinone, 2-[2-(5-bromo-1h-indol-3-yl)ethyl]-3-[3-(1-methylethoxy)phenyl]-
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
quinazolinesAny organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (25)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, TYROSYL-DNA PHOSPHODIESTERASEHomo sapiens (human)Potency0.79430.004023.8416100.0000AID485290
Chain A, CruzipainTrypanosoma cruziPotency31.62280.002014.677939.8107AID1476
USP1 protein, partialHomo sapiens (human)Potency17.78280.031637.5844354.8130AID504865
TDP1 proteinHomo sapiens (human)Potency31.67680.000811.382244.6684AID686978; AID686979
thyroid stimulating hormone receptorHomo sapiens (human)Potency39.81070.001318.074339.8107AID926
cellular tumor antigen p53 isoform aHomo sapiens (human)Potency25.11890.316212.443531.6228AID902
cytochrome P450 3A4 isoform 1Homo sapiens (human)Potency3.98110.031610.279239.8107AID884; AID885
Gamma-aminobutyric acid receptor subunit piRattus norvegicus (Norway rat)Potency3.98111.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit beta-1Rattus norvegicus (Norway rat)Potency3.98111.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit deltaRattus norvegicus (Norway rat)Potency3.98111.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit gamma-2Rattus norvegicus (Norway rat)Potency3.98111.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit alpha-5Rattus norvegicus (Norway rat)Potency3.98111.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit alpha-3Rattus norvegicus (Norway rat)Potency3.98111.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit gamma-1Rattus norvegicus (Norway rat)Potency3.98111.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit alpha-2Rattus norvegicus (Norway rat)Potency3.98111.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit alpha-4Rattus norvegicus (Norway rat)Potency3.98111.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit gamma-3Rattus norvegicus (Norway rat)Potency3.98111.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit alpha-6Rattus norvegicus (Norway rat)Potency3.98111.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit alpha-1Rattus norvegicus (Norway rat)Potency3.98111.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit beta-3Rattus norvegicus (Norway rat)Potency3.98111.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit beta-2Rattus norvegicus (Norway rat)Potency3.98111.000012.224831.6228AID885
GABA theta subunitRattus norvegicus (Norway rat)Potency3.98111.000012.224831.6228AID885
Gamma-aminobutyric acid receptor subunit epsilonRattus norvegicus (Norway rat)Potency3.98111.000012.224831.6228AID885
[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)
Gastrin/cholecystokinin type B receptorHomo sapiens (human)IC50 (µMol)0.12050.00010.36154.0000AID51615; AID74360
Gastrin/cholecystokinin type B receptorMus musculus (house mouse)IC50 (µMol)0.00930.00031.33674.0000AID51117
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (9)

Processvia Protein(s)Taxonomy
gastric acid secretionGastrin/cholecystokinin type B receptorHomo sapiens (human)
cell surface receptor signaling pathwayGastrin/cholecystokinin type B receptorHomo sapiens (human)
phospholipase C-activating G protein-coupled receptor signaling pathwayGastrin/cholecystokinin type B receptorHomo sapiens (human)
positive regulation of cytosolic calcium ion concentrationGastrin/cholecystokinin type B receptorHomo sapiens (human)
positive regulation of cell population proliferationGastrin/cholecystokinin type B receptorHomo sapiens (human)
cholecystokinin signaling pathwayGastrin/cholecystokinin type B receptorHomo sapiens (human)
pH reductionGastrin/cholecystokinin type B receptorHomo sapiens (human)
digestive tract developmentGastrin/cholecystokinin type B receptorHomo sapiens (human)
gland developmentGastrin/cholecystokinin type B receptorHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (6)

Processvia Protein(s)Taxonomy
cholecystokinin receptor activityGastrin/cholecystokinin type B receptorHomo sapiens (human)
protein bindingGastrin/cholecystokinin type B receptorHomo sapiens (human)
gastrin receptor activityGastrin/cholecystokinin type B receptorHomo sapiens (human)
peptide hormone bindingGastrin/cholecystokinin type B receptorHomo sapiens (human)
type B gastrin/cholecystokinin receptor bindingGastrin/cholecystokinin type B receptorHomo sapiens (human)
1-phosphatidylinositol-3-kinase regulator activityGastrin/cholecystokinin type B receptorHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (2)

Processvia Protein(s)Taxonomy
plasma membraneGamma-aminobutyric acid receptor subunit gamma-2Rattus norvegicus (Norway rat)
plasma membraneGastrin/cholecystokinin type B receptorHomo sapiens (human)
intracellular membrane-bounded organelleGastrin/cholecystokinin type B receptorHomo sapiens (human)
plasma membraneGastrin/cholecystokinin type B receptorHomo sapiens (human)
plasma membraneGamma-aminobutyric acid receptor subunit alpha-1Rattus norvegicus (Norway rat)
plasma membraneGamma-aminobutyric acid receptor subunit beta-2Rattus norvegicus (Norway rat)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (8)

Assay IDTitleYearJournalArticle
AID1347154Primary screen GU AMC 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.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID51117Evaluated for inhibition of [125I]CCK-8S binding to cholecystokinin CCK-B receptor from mouse brain membranes at a concentration of 10 uM (in vitro)1992Journal of medicinal chemistry, Jul-10, Volume: 35, Issue:14
Synthesis and X-ray crystallographic analysis of quinazolinone cholecystokinin/gastrin receptor ligands.
AID74360Inhibition of [125I]-labeled gastrin binding to gastrin/cholecystokinin type B receptor1991Journal of medicinal chemistry, Apr, Volume: 34, Issue:4
Quinazolinone cholecystokinin-B receptor ligands.
AID51615Antagonistic activity against cholecystokinin type B receptor1993Journal of medicinal chemistry, Jul-23, Volume: 36, Issue:15
Excursions in drug discovery.
AID50814Inhibition of [125I]-labeled CCK-8 sulfate binding to Cholecystokinin type B receptor in guinea pig brain membranes1991Journal of medicinal chemistry, Apr, Volume: 34, Issue:4
Quinazolinone cholecystokinin-B receptor ligands.
AID51123Inhibition of [125I]CCK-8 sulfate binding to cholecystokinin type B receptor in mouse brain membranes.1991Journal of medicinal chemistry, Apr, Volume: 34, Issue:4
Quinazolinone cholecystokinin-B receptor ligands.
AID50498Inhibition of [3H]-labeled L-364,718 binding to Cholecystokinin type A receptor in rat pancreas1991Journal of medicinal chemistry, Apr, Volume: 34, Issue:4
Quinazolinone cholecystokinin-B receptor ligands.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (25)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's3 (12.00)18.2507
2000's10 (40.00)29.6817
2010's9 (36.00)24.3611
2020's3 (12.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 11.64

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 Index11.64 (24.57)
Research Supply Index3.26 (2.92)
Research Growth Index4.90 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (11.64)

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%
Other25 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]