4-(4-chlorophenyl)-1-methyl-2-(methylthio)-6-oxo-5-pyrimidinecarbonitrile profile

ID Source	ID
PubMed CID	405209
CHEMBL ID	1375950
CHEBI ID	114887

Synonym
nsc722268
nsc-722268
smr000283344
MLS000687558
BAS 01199794
CHEBI:114887
4-(4-chlorophenyl)-1-methyl-2-methylsulfanyl-6-oxopyrimidine-5-carbonitrile
AKOS000603843
HMS2726L19
CHEMBL1375950
4-(4-chlorophenyl)-1-methyl-2-(methylthio)-6-oxo-5-pyrimidinecarbonitrile
Q27196730
CCG-248165

Class	Description
pyrimidines	Any compound having a pyrimidine as part of its structure.
[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	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
GLS protein	Homo sapiens (human)	Potency	5.6234	0.3548	7.9355	39.8107	AID624170
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	35.4813	0.0112	12.4002	100.0000	AID1030
DNA polymerase iota isoform a (long)	Homo sapiens (human)	Potency	100.0000	0.0501	27.0736	89.1251	AID588590
DNA dC->dU-editing enzyme APOBEC-3F isoform a	Homo sapiens (human)	Potency	2.8184	0.0259	11.2398	31.6228	AID602313
Glycoprotein hormones alpha chain	Homo sapiens (human)	Potency	28.1838	4.4668	8.3448	10.0000	AID624291
Inositol monophosphatase 1	Rattus norvegicus (Norway rat)	Potency	28.1838	1.0000	10.4756	28.1838	AID1457
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
G protein-coupled receptor signaling pathway	Glycoprotein hormones alpha chain	Homo sapiens (human)
positive regulation of cell population proliferation	Glycoprotein hormones alpha chain	Homo sapiens (human)
hormone-mediated signaling pathway	Glycoprotein hormones alpha chain	Homo sapiens (human)
regulation of signaling receptor activity	Glycoprotein hormones alpha chain	Homo sapiens (human)
positive regulation of steroid biosynthetic process	Glycoprotein hormones alpha chain	Homo sapiens (human)
positive regulation of cell migration	Glycoprotein hormones alpha chain	Homo sapiens (human)
thyroid gland development	Glycoprotein hormones alpha chain	Homo sapiens (human)
luteinizing hormone secretion	Glycoprotein hormones alpha chain	Homo sapiens (human)
organ growth	Glycoprotein hormones alpha chain	Homo sapiens (human)
follicle-stimulating hormone signaling pathway	Glycoprotein hormones alpha chain	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Glycoprotein hormones alpha chain	Homo sapiens (human)
negative regulation of organ growth	Glycoprotein hormones alpha chain	Homo sapiens (human)
follicle-stimulating hormone secretion	Glycoprotein hormones alpha chain	Homo sapiens (human)
thyroid hormone generation	Glycoprotein hormones alpha chain	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
hormone activity	Glycoprotein hormones alpha chain	Homo sapiens (human)
protein binding	Glycoprotein hormones alpha chain	Homo sapiens (human)
follicle-stimulating hormone activity	Glycoprotein hormones alpha chain	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
extracellular region	Glycoprotein hormones alpha chain	Homo sapiens (human)
extracellular space	Glycoprotein hormones alpha chain	Homo sapiens (human)
Golgi lumen	Glycoprotein hormones alpha chain	Homo sapiens (human)
follicle-stimulating hormone complex	Glycoprotein hormones alpha chain	Homo sapiens (human)
pituitary gonadotropin complex	Glycoprotein hormones alpha chain	Homo sapiens (human)
extracellular space	Glycoprotein hormones alpha chain	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (42)

Assay ID	Title	Year	Journal	Article
AID615571	Antimicrobial activity against Staphylococcus aureus at 100 ug/ml by agar plate diffusion technique	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615478	Antimicrobial activity against Pseudomonas aeruginosa at 25 ug/ml by agar plate diffusion technique	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615465	Antioxidant activity assessed as hydrogen peroxide scavenging activity after 10 mins	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615474	Anthelmintic activity against Pheretima posthuma assessed as time taken for parasite death at 0.5% w/v	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615569	Antimicrobial activity against Staphylococcus aureus at 25 ug/ml by agar plate diffusion technique	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615572	Antimicrobial activity against Candida albicans at 25 ug/ml by paper disc method	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615568	Antimicrobial activity against Bacillus subtilis at 100 ug/ml by agar plate diffusion technique	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615576	Antimicrobial activity against Aspergillus niger at 50 ug/ml by paper disc method	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615570	Antimicrobial activity against Staphylococcus aureus at 50 ug/ml by agar plate diffusion technique	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615467	Antioxidant activity assessed as potassium ferricyanide ion reducing power after 20 mins	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615477	Antimicrobial activity against Escherichia coli at 100 ug/ml by agar plate diffusion technique	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615482	Antimicrobial activity against Bacillus subtilis at 50 ug/ml by agar plate diffusion technique	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615479	Antimicrobial activity against Pseudomonas aeruginosa at 50 ug/ml by agar plate diffusion technique	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615472	Anthelmintic activity against Pheretima posthuma assessed as time taken for parasite death at 0.1% w/v	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615471	Anthelmintic activity against Pheretima posthuma assessed as time taken for complete parasite paralysis at 0.5% w/v	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615464	Antioxidant activity assessed as nitric oxide radical scavenging activity after 150 mins	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615469	Anthelmintic activity against Pheretima posthuma assessed as time taken for complete parasite paralysis at 0.1% w/v	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615575	Antimicrobial activity against Aspergillus niger at 25 ug/ml by paper disc method	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615470	Anthelmintic activity against Pheretima posthuma assessed as time taken for complete parasite paralysis at 0.2% w/v	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615466	Antioxidant activity assessed as inhibition of lipid peroxidation using egg lecithin liposomes incubated for 1 hr	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615468	Antiinflammatory activity assessed as inhibition of albumin denaturation at 100 ug/ml by UV-visible spectrophotometry	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615473	Anthelmintic activity against Pheretima posthuma assessed as time taken for parasite death at 0.2% w/v	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615573	Antimicrobial activity against Candida albicans at 50 ug/ml by paper disc method	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615480	Antimicrobial activity against Pseudomonas aeruginosa at 100 ug/ml by agar plate diffusion technique	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615577	Antimicrobial activity against Aspergillus niger at 100 ug/ml by paper disc method	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615476	Antimicrobial activity against Escherichia coli at 50 ug/ml by agar plate diffusion technique	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615481	Antimicrobial activity against Bacillus subtilis at 25 ug/ml by agar plate diffusion technique	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615574	Antimicrobial activity against Candida albicans at 100 ug/ml by paper disc method	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID615475	Antimicrobial activity against Escherichia coli at 25 ug/ml by agar plate diffusion technique	2011	European journal of medicinal chemistry, May, Volume: 46, Issue:5	Novel dihydropyrimidines and its pyrazole derivatives: synthesis and pharmacological screening.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
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.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
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.
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.
[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	1 (16.67)	29.6817
2010's	4 (66.67)	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
albendazole [no description available]	2.06	1	aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	anthelminthic drug; microtubule-destabilising agent; tubulin modulator
streptomycin [no description available]	2.06	1	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
diclofenac sodium Diclofenac Sodium: The sodium form of DICLOFENAC. It is used for its analgesic and anti-inflammatory properties.. diclofenac sodium : The sodium salt of diclofenac.	2.06	1	organic sodium salt
amphotericin b Amphotericin B: Macrolide antifungal antibiotic produced by Streptomyces nodosus obtained from soil of the Orinoco river region of Venezuela.. amphotericin B : A macrolide antibiotic used to treat potentially life-threatening fungal infections.	2.06	1	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
ascorbic acid Ascorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.. L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.. L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.. vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms.	2.06	1	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent

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

4-(4-chlorophenyl)-1-methyl-2-(methylthio)-6-oxo-5-pyrimidinecarbonitrile

Cross-References

Synonyms (13)

Drug Classes (1)

Protein Targets (6)

Potency Measurements

Biological Processes (14)

Molecular Functions (3)

Ceullar Components (5)

Bioassays (42)

Research

Studies (6)

Market Indicators

Research Demand Index: 12.35

Study Types

4-(4-chlorophenyl)-1-methyl-2-(methylthio)-6-oxo-5-pyrimidinecarbonitrile

Cross-References

Synonyms (13)

Drug Classes (1)

Protein Targets (6)

Potency Measurements

Biological Processes (14)

Molecular Functions (3)

Ceullar Components (5)

Bioassays (42)

Research

Studies (6)

Market Indicators

Research Demand Index: 12.35

Study Types

Related Drugs (5)

Related Conditions (2)