Compounds > 6-(1,3-benzodioxol-5-yl)-N-[(3-fluorophenyl)methyl]-4-quinazolinamine

Page last updated: 2024-11-13

6-(1,3-benzodioxol-5-yl)-N-[(3-fluorophenyl)methyl]-4-quinazolinamine

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

Cross-References

ID Source	ID
PubMed CID	44142055
CHEMBL ID	566722
CHEBI ID	93614

Synonyms (11)

Synonym
NCGC00183260-01
MLS002276496
smr001318034
CHEMBL566722 ,
bdbm50302983
6-(benzo[d][1,3]dioxol-5-yl)-n-(3-fluorobenzyl)quinazolin-4-amine
HMS2223D16
HMS3340D09
CHEBI:93614
Q27165306
6-(1,3-benzodioxol-5-yl)-n-[(3-fluorophenyl)methyl]-4-quinazolinamine

[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

Class	Description
quinazolines	Any 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 (18)

Potency Measurements

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
thioredoxin reductase	Rattus norvegicus (Norway rat)	Potency	19.9526	0.1000	20.8793	79.4328	AID588456
ATAD5 protein, partial	Homo sapiens (human)	Potency	20.5878	0.0041	10.8903	31.5287	AID504467
Smad3	Homo sapiens (human)	Potency	25.1189	0.0052	7.8098	29.0929	AID588855
PINK1	Homo sapiens (human)	Potency	50.1187	2.8184	18.8959	44.6684	AID624263
Parkin	Homo sapiens (human)	Potency	50.1187	0.8199	14.8306	44.6684	AID624263
nuclear factor erythroid 2-related factor 2 isoform 2	Homo sapiens (human)	Potency	16.3601	0.0041	9.9848	25.9290	AID504444
parathyroid hormone/parathyroid hormone-related peptide receptor precursor	Homo sapiens (human)	Potency	25.1189	3.5481	19.5427	44.6684	AID743266
dual specificity tyrosine-phosphorylation-regulated kinase 1A isoform 1	Homo sapiens (human)	Potency	0.4627	0.0130	7.4878	29.1922	AID493206
flap endonuclease 1	Homo sapiens (human)	Potency	89.1251	0.1337	25.4129	89.1251	AID588795
geminin	Homo sapiens (human)	Potency	20.5962	0.0046	11.3741	33.4983	AID624296
dual specificity protein kinase CLK4	Homo sapiens (human)	Potency	0.1101	0.0116	3.7867	31.6228	AID1969; AID1970; AID1983
Adenosine receptor A1	Rattus norvegicus (Norway rat)	Potency	0.1413	0.0631	4.1371	15.8489	AID1969
Adenosine receptor A3	Rattus norvegicus (Norway rat)	Potency	0.1413	0.0631	3.8038	14.1254	AID1969
Adenosine receptor A2b	Rattus norvegicus (Norway rat)	Potency	0.1413	0.0631	3.8038	14.1254	AID1969
Adenosine receptor A2a	Rattus norvegicus (Norway rat)	Potency	0.1413	0.0631	3.8038	14.1254	AID1969
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Dual specificity protein kinase CLK4	Homo sapiens (human)	IC50 (µMol)	0.1260	0.0110	1.0694	7.9430	AID445566
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Other Measurements

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
CDC-like kinase 1, isoform CRA_c	Homo sapiens (human)	AC50	0.0320	0.0019	2.2088	16.9100	AID588811
dual specificity tyrosine-phosphorylation-regulated kinase 1A	Rattus norvegicus (Norway rat)	AC50	0.1090	0.0056	4.6932	26.6940	AID588345
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (2)

Process	via Protein(s)	Taxonomy
regulation of RNA splicing	Dual specificity protein kinase CLK4	Homo sapiens (human)
peptidyl-tyrosine phosphorylation	Dual specificity protein kinase CLK4	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (7)

Process	via Protein(s)	Taxonomy
G protein-coupled adenosine receptor activity	Adenosine receptor A2a	Rattus norvegicus (Norway rat)
protein serine/threonine kinase activity	Dual specificity protein kinase CLK4	Homo sapiens (human)
protein serine/threonine/tyrosine kinase activity	Dual specificity protein kinase CLK4	Homo sapiens (human)
protein binding	Dual specificity protein kinase CLK4	Homo sapiens (human)
ATP binding	Dual specificity protein kinase CLK4	Homo sapiens (human)
protein serine kinase activity	Dual specificity protein kinase CLK4	Homo sapiens (human)
protein tyrosine kinase activity	Dual specificity protein kinase CLK4	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (2)

Process	via Protein(s)	Taxonomy
Golgi membrane	Adenosine receptor A2a	Rattus norvegicus (Norway rat)
nucleus	Dual specificity protein kinase CLK4	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (14)

Assay ID	Title	Year	Journal	Article
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID445566	Inhibition of Clk4	2009	Bioorganic & medicinal chemistry letters, Dec-01, Volume: 19, Issue:23	Evaluation of substituted 6-arylquinazolin-4-amines as potent and selective inhibitors of cdc2-like kinases (Clk).
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (6)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	2 (33.33)	29.6817
2010's	3 (50.00)	24.3611
2020's	1 (16.67)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.41

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.

Metric	This Compound (vs All)
Research Demand Index	12.41 (24.57)
Research Supply Index	1.95 (2.92)
Research Growth Index	4.36 (4.65)
Search Engine Demand Index	0.00 (26.88)
Search Engine Supply Index	0.00 (0.95)

This Compound (12.41)

All Compounds (24.57)

Study Types

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	6 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Trials	Classes	Roles
tg 003 TG 003: a Clk inhibitor; structure in first source	2.05	1	0
ml106 ML106: imidazobenzimidazole, inhibits melanin synthesis; structure in first source	2.05	1	0	quinazolines
6-(1,3-benzodioxol-5-yl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine [no description available]	2.05	1	0	quinazolines
6-(3-methoxyphenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine [no description available]	2.05	1	0	quinazolines
6-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine [no description available]	2.05	1	0	quinazolines
6-(3-methoxyphenyl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine [no description available]	2.05	1	0	quinazolines
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine [no description available]	2.05	1	0	quinazolines
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine [no description available]	2.05	1	0	quinazolines
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-pyridinylmethyl)-4-quinazolinamine [no description available]	2.05	1	0	quinazolines
6-(1,3-benzodioxol-5-yl)-N-(3-pyridinylmethyl)-4-quinazolinamine [no description available]	2.05	1	0	quinazolines
6-(3-methoxyphenyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine [no description available]	2.05	1	0	quinazolines
6-(1,3-benzodioxol-5-yl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine [no description available]	2.05	1	0	quinazolines
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine [no description available]	2.05	1	0	quinazolines

Condition	Indicated	Relationship Strength	Studies	Trials
Innate Inflammatory Response [description not available]	0	2.05	1	0
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	0	2.05	1	0