3,5,5-trimethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one profile

ID Source	ID
PubMed CID	702333
CHEMBL ID	1569119
CHEBI ID	105497

Synonym
STK722063
3,5,5-trimethyl-2-thioxo-2,3,5,6-tetrahydrobenzo[h]quinazolin-4(1h)-one
OPREA1_500561
HMS2633C19
smr000280438
MLS000710671 ,
CHEMDIV1_021224
OPREA1_247154
CHEBI:105497
HMS647E16
AKOS001736260
3,5,5-trimethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one
HMS3363N12
CHEMBL1569119
bdbm47301
3,5,5-trimethyl-2-thioxo-1,6-dihydrobenzo[h]quinazolin-4-one
cid_702333
Q27183242
3,5,5-trimethyl-2-sulfanylidene-1h,2h,3h,4h,5h,6h-benzo[h]quinazolin-4-one
SR-01000428973-1
sr-01000428973

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 (22)

Potency Measurements

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, Putative fructose-1,6-bisphosphate aldolase	Giardia intestinalis	Potency	12.5594	0.1409	11.1940	39.8107	AID2451
Luciferase	Photinus pyralis (common eastern firefly)	Potency	13.4591	0.0072	15.7588	89.3584	AID588342
glp-1 receptor, partial	Homo sapiens (human)	Potency	3.9811	0.0184	6.8060	14.1254	AID624417
chaperonin-containing TCP-1 beta subunit homolog	Homo sapiens (human)	Potency	630.9570	3.9811	27.7649	39.8107	AID504842
phosphopantetheinyl transferase	Bacillus subtilis	Potency	10.0000	0.1413	37.9142	100.0000	AID1490
ATAD5 protein, partial	Homo sapiens (human)	Potency	29.0810	0.0041	10.8903	31.5287	AID504467
TDP1 protein	Homo sapiens (human)	Potency	29.0929	0.0008	11.3822	44.6684	AID686978; AID686979
Smad3	Homo sapiens (human)	Potency	5.6234	0.0052	7.8098	29.0929	AID588855
apical membrane antigen 1, AMA1	Plasmodium falciparum 3D7	Potency	7.9433	0.7079	12.1943	39.8107	AID720542
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	8.9125	0.0112	12.4002	100.0000	AID1030
hypothetical protein, conserved	Trypanosoma brucei	Potency	39.8107	0.2239	11.2451	35.4813	AID624173
bromodomain adjacent to zinc finger domain 2B	Homo sapiens (human)	Potency	17.7828	0.7079	36.9043	89.1251	AID504333
beta-2 adrenergic receptor	Homo sapiens (human)	Potency	3.5481	0.0058	6.0263	32.6427	AID492947
nuclear receptor ROR-gamma isoform 1	Mus musculus (house mouse)	Potency	0.3981	0.0079	8.2332	1,122.0200	AID2546
lethal(3)malignant brain tumor-like protein 1 isoform I	Homo sapiens (human)	Potency	0.5623	0.0752	15.2253	39.8107	AID485360
relaxin receptor 1 isoform 1	Homo sapiens (human)	Potency	15.8489	0.0388	14.3501	43.6206	AID2676
neuropeptide S receptor isoform A	Homo sapiens (human)	Potency	6.3096	0.0158	12.3113	615.5000	AID1461
Inositol monophosphatase 1	Rattus norvegicus (Norway rat)	Potency	1.4125	1.0000	10.4756	28.1838	AID1457
[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)
photoreceptor-specific nuclear receptor	Homo sapiens (human)	IC50 (µMol)	39.8410	0.0374	2.9340	8.9620	AID2758
nuclear receptor corepressor 2 isoform 2	Homo sapiens (human)	IC50 (µMol)	3.9790	1.0250	4.3611	9.9550	AID2759
peroxisome proliferator-activated receptor gamma isoform 2	Homo sapiens (human)	IC50 (µMol)	3.9790	1.0250	4.3611	9.9550	AID2759
M17 leucyl aminopeptidase	Plasmodium falciparum 3D7	IC50 (µMol)	1.9000	1.0000	27.8360	138.0800	AID1619
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (14)

Assay ID	Title	Year	Journal	Article
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.
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.
AID504787	Counterscreen for agonists of nuclear receptor subfamily 2, group E, member 3 (NR2E3): TR-FRET-based biochemical high throughput assay to identify agonists of the interaction between peroxisome proliferator-activated receptor gamma (PPARg) and nuclear rec	2006	Assay and drug development technologies, Jun, Volume: 4, Issue:3	Development of the high throughput screening assay for identification of agonists of an orphan nuclear receptor.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
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.
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.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

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]

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	Classes	Roles
5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid [no description available]	2.03	1	biotins
benzbromarone Benzbromarone: Uricosuric that acts by increasing uric acid clearance. It is used in the treatment of gout.. benzbromarone : 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication.	2.03	1	1-benzofurans; aromatic ketone	uricosuric drug
9,10-phenanthrenequinone 9,10-phenanthrenequinone: structure	2.03	1	phenanthrenes
benzo(b)fluoranthene benzo[b]fluoranthene : An ortho- and peri-fused polycyclic arene that consists of a benzene ring fused with a acephenanthrylene ring.	2.03	1	ortho- and peri-fused polycyclic arene	mutagen
malononitrile dimer Malononitrile dimer: has antithyroid activity; inhibits conversion of monoiodotyrosine to diiodotyrosine	2.03	1
toxoflavin toxoflavin: azapteridine antibiotic; structure. toxoflavin : A pyrimidotriazine that is 1,6-dimethyl-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7.	2.03	1	carbonyl compound; pyrimidotriazine	antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; toxin; virulence factor; Wnt signalling inhibitor
methyl fluorone black methyl fluorone black: structure	2.03	1
6-hydroxydopa 6-hydroxydopa: RN given refers to cpd without isomeric designation	2.03	1	non-proteinogenic alpha-amino acid
biotin vitamin B7 : Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms.	2.03	1	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
desthiobiotin desthiobiotin: RN given refers to cpd without isomeric designation; structure. (4R,5S)-dethiobiotin : The (4R,5S)-isomer of dethiobiotin.	2.03	1	dethiobiotin
1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione [no description available]	2.03	1	pyrimidotriazine
5-bromo-3-ethyl-1H-indole-2-carboxylic acid [no description available]	2.03	1	indolyl carboxylic acid
2-(4-benzofuro[3,2-d]pyrimidinylthio)-1-thiophen-2-ylethanone [no description available]	2.03	1	benzofurans
2-amino-4-(4-chlorophenyl)-6-methyl-3-pyridinecarbonitrile [no description available]	2.03	1	phenylpyridine
1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]triazine-5,7-dione [no description available]	2.03	1	pyrimidotriazine
1-(4-methyl-1-piperidinyl)-2-[(3-methyl-2-quinoxalinyl)thio]ethanone [no description available]	2.03	1	quinoxaline derivative
N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thiophenyl]-2-methyl-3-pyrazolecarboxamide [no description available]	2.03	1	methoxybenzenes
2-(4-fluorophenyl)-3-(2-furanylmethyl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione [no description available]	2.03	1	quinolines
6-(4-bromophenyl)-3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine [no description available]	2.03	1	phenylpyridine
3-phenyl-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one [no description available]	2.03	1	benzofurans
2-[(4-methylphenyl)sulfonylamino]acetic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester [no description available]	2.03	1	alpha-amino acid ester
2-[(6-chloro-1H-benzimidazol-2-yl)thio]-N-(2,3-dihydro-1H-inden-5-yl)acetamide [no description available]	2.03	1	benzimidazoles
2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-(3-methylphenyl)acetamide [no description available]	2.03	1	benzofurans
2-amino-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbothioamide [no description available]	2.03	1	toluenes
1-(3-methyl-1-piperidinyl)-2-(2-quinoxalinylthio)ethanone [no description available]	2.03	1	quinoxaline derivative
2-(5-bromo-2-thiophenyl)-N-(4-methyl-1-piperazinyl)-4-quinolinecarboxamide [no description available]	2.03	1	quinolines
3-(4-chloro-1,5-dimethyl-3-pyrazolyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione [no description available]	2.03	1	triazoles
2-(2-quinoxalinylthio)propanoic acid [no description available]	2.03	1	quinoxaline derivative
ellagic acid [no description available]	2.03	1	catechols; cyclic ketone; lactone; organic heterotetracyclic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor; EC 2.4.1.1 (glycogen phosphorylase) inhibitor; EC 2.5.1.18 (glutathione transferase) inhibitor; EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor; EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor; EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; food additive; fungal metabolite; geroprotector; plant metabolite; skin lightening agent
3-bromo-7-hydroxy-4,8-dimethyl-1-benzopyran-2-one [no description available]	2.03	1	hydroxycoumarin
3-(3-methylphenyl)-2-sulfanylidene-1H-benzofuro[3,2-d]pyrimidin-4-one [no description available]	2.03	1	benzofurans
6-(4-bromophenyl)-2-methyl-3-pyridinecarboxylic acid [no description available]	2.03	1	phenylpyridine
lissamine rhodamine b lissamine rhodamine : An organic sodium salt having 4-[3,6-bis(diethylamino)xanthenium-9-yl]benzene-1,3-disulfonate as the counterion.	2.03	1	organic sodium salt	fluorescent probe; fluorochrome; histological dye
methacycline monohydrochloride [no description available]	2.03	1

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

3,5,5-trimethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one

Cross-References

Synonyms (21)

Drug Classes (1)

Protein Targets (22)

Potency Measurements

Inhibition Measurements

Bioassays (14)

Research

Studies (6)

Market Indicators

Research Demand Index: 12.41

Study Types

3,5,5-trimethyl-2-sulfanylidene-1,6-dihydrobenzo[h]quinazolin-4-one

Cross-References

Synonyms (21)

Drug Classes (1)

Protein Targets (22)

Potency Measurements

Inhibition Measurements

Bioassays (14)

Research

Studies (6)

Market Indicators

Research Demand Index: 12.41

Study Types

Related Drugs (34)

Related Conditions (2)