N'2-[3-(trifluoromethyl)benzoyl]-3-aminopyrazine-2-carbohydrazide profile

ID Source	ID
PubMed CID	2809299
CHEMBL ID	4206630
CHEBI ID	167724

Synonym
CHEBI:167724
n'2-[3-(trifluoromethyl)benzoyl]-3-aminopyrazine-2-carbohydrazide
3-amino-n'-[3-(triluoromethyl)benzoyl]pyrazine-2-carbohydrazide
SR-01000633950-1
CCG-44085
CHEMBL4206630 ,
bdbm50457679

Class	Description
(trifluoromethyl)benzenes	An organofluorine compound that is (trifluoromethyl)benzene and derivatives arising from substitution of one or more of the phenyl hydrogens.
[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	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Toll-like receptor 7	Homo sapiens (human)	IC50 (µMol)	38.0000	0.8000	3.4000	8.6000	AID1381042
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
regulation of protein phosphorylation	Toll-like receptor 7	Homo sapiens (human)
inflammatory response	Toll-like receptor 7	Homo sapiens (human)
canonical NF-kappaB signal transduction	Toll-like receptor 7	Homo sapiens (human)
I-kappaB phosphorylation	Toll-like receptor 7	Homo sapiens (human)
JNK cascade	Toll-like receptor 7	Homo sapiens (human)
positive regulation of chemokine production	Toll-like receptor 7	Homo sapiens (human)
positive regulation of interferon-alpha production	Toll-like receptor 7	Homo sapiens (human)
positive regulation of interferon-beta production	Toll-like receptor 7	Homo sapiens (human)
positive regulation of type II interferon production	Toll-like receptor 7	Homo sapiens (human)
positive regulation of interleukin-8 production	Toll-like receptor 7	Homo sapiens (human)
toll-like receptor 7 signaling pathway	Toll-like receptor 7	Homo sapiens (human)
positive regulation of canonical NF-kappaB signal transduction	Toll-like receptor 7	Homo sapiens (human)
innate immune response	Toll-like receptor 7	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Toll-like receptor 7	Homo sapiens (human)
positive regulation of inflammatory response	Toll-like receptor 7	Homo sapiens (human)
defense response to virus	Toll-like receptor 7	Homo sapiens (human)
positive regulation of macrophage cytokine production	Toll-like receptor 7	Homo sapiens (human)
response to cGMP	Toll-like receptor 7	Homo sapiens (human)
cellular response to mechanical stimulus	Toll-like receptor 7	Homo sapiens (human)
cellular response to virus	Toll-like receptor 7	Homo sapiens (human)
positive regulation of non-canonical NF-kappaB signal transduction	Toll-like receptor 7	Homo sapiens (human)
toll-like receptor signaling pathway	Toll-like receptor 7	Homo sapiens (human)
positive regulation of interleukin-6 production	Toll-like receptor 7	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
double-stranded RNA binding	Toll-like receptor 7	Homo sapiens (human)
single-stranded RNA binding	Toll-like receptor 7	Homo sapiens (human)
protein binding	Toll-like receptor 7	Homo sapiens (human)
siRNA binding	Toll-like receptor 7	Homo sapiens (human)
pattern recognition receptor activity	Toll-like receptor 7	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
Golgi membrane	Toll-like receptor 7	Homo sapiens (human)
cytoplasm	Toll-like receptor 7	Homo sapiens (human)
lysosome	Toll-like receptor 7	Homo sapiens (human)
endosome	Toll-like receptor 7	Homo sapiens (human)
endoplasmic reticulum	Toll-like receptor 7	Homo sapiens (human)
endoplasmic reticulum membrane	Toll-like receptor 7	Homo sapiens (human)
plasma membrane	Toll-like receptor 7	Homo sapiens (human)
endosome membrane	Toll-like receptor 7	Homo sapiens (human)
early phagosome	Toll-like receptor 7	Homo sapiens (human)
endolysosome membrane	Toll-like receptor 7	Homo sapiens (human)
receptor complex	Toll-like receptor 7	Homo sapiens (human)
plasma membrane	Toll-like receptor 7	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (8)

Assay ID	Title	Year	Journal	Article
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).	2014	Journal of biomolecular screening, Jul, Volume: 19, Issue:6	A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808	Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).
AID1640019	Luciferase/luciferin-expressing antifolate-resistant parasites were used to infect a culture of HepG2 cells that were pre-incubated with compounds. Infected hepatocytes emit light due to the luciferase reaction. Assay results are presented as the percent	2018	Science (New York, N.Y.), 12-07, Volume: 362, Issue:6419	Open-source discovery of chemical leads for next-generation chemoprotective antimalarials.
AID1640018	Luciferase/luciferin-expressing antifolate-resistant parasites were used to infect a culture of HepG2 cells that were pre-incubated with compounds. Infected hepatocytes emit light due to the luciferase reaction. Assay results are presented as the percent	2018	Science (New York, N.Y.), 12-07, Volume: 362, Issue:6419	Open-source discovery of chemical leads for next-generation chemoprotective antimalarials.
AID1381088	Inhibition of human TLR7 expressed in HEK293 cells assessed as decrease in R848-induced NF-kappaB activation-mediated SEAP production at 30 uM after 24 hrs by Quanti-blue-based assay relative to control	2018	Journal of medicinal chemistry, Jul-26, Volume: 61, Issue:14	Discovery of Novel Small-Molecule Inhibitors of NF-κB Signaling with Antiinflammatory and Anticancer Properties.
AID1381042	Antagonist activity at human TLR7 expressed in HEK293 cells assessed as inhibition of R848-induced NF-kappaB activation-mediated SEAP production after 24 hrs by Quanti-blue-based assay	2018	Journal of medicinal chemistry, Jul-26, Volume: 61, Issue:14	Discovery of Novel Small-Molecule Inhibitors of NF-κB Signaling with Antiinflammatory and Anticancer Properties.
AID1381041	Inhibition of human TLR7 expressed in HEK293 cells assessed as decrease in R848-induced NF-kappaB activation-mediated SEAP production at 40 uM after 24 hrs by Quanti-blue-based assay relative to control	2018	Journal of medicinal chemistry, Jul-26, Volume: 61, Issue:14	Discovery of Novel Small-Molecule Inhibitors of NF-κB Signaling with Antiinflammatory and Anticancer Properties.
AID1159607	Screen for inhibitors of RMI FANCM (MM2) intereaction	2016	Journal of biomolecular screening, Jul, Volume: 21, Issue:6	A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
[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	0 (0.00)	29.6817
2010's	4 (80.00)	24.3611
2020's	1 (20.00)	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	5 (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
acridone acridone : A member of the class of acridines that is 9,10-dihydroacridine substituted by an oxo group at position 9.	2.17	1	acridines; cyclic ketone
ethacridine Ethacridine: A topically applied anti-infective agent.	2.17	1	acridines
amiodarone Amiodarone: An antianginal and class III antiarrhythmic drug. It increases the duration of ventricular and atrial muscle action by inhibiting POTASSIUM CHANNELS and VOLTAGE-GATED SODIUM CHANNELS. There is a resulting decrease in heart rate and in vascular resistance.. amiodarone : A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias.	2.17	1	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
ym 58483 [no description available]	2.17	1
camphor, (+-)-isomer [no description available]	2.17	1	bornane monoterpenoid; cyclic monoterpene ketone	plant metabolite
carbonyl cyanide m-chlorophenyl hydrazone Carbonyl Cyanide m-Chlorophenyl Hydrazone: A proton ionophore. It is commonly used as an uncoupling agent and inhibitor of photosynthesis because of its effects on mitochondrial and chloroplast membranes.. CCCP : A member of the class of monochlorobenzenes that is benzene substituted by 2-(1,3-dinitrilopropan-2-ylidene)hydrazinyl and chloro groups at positions 1 and 3, respectively. It is a mitochondrial depolarizing agent that induces reactive oxygen species mediated cell death.	2.17	1	hydrazone; monochlorobenzenes; nitrile	antibacterial agent; geroprotector; ionophore
carbonyl cyanide p-trifluoromethoxyphenylhydrazone Carbonyl Cyanide p-Trifluoromethoxyphenylhydrazone: A proton ionophore that is commonly used as an uncoupling agent in biochemical studies.. carbonyl cyanide p-trifluoromethoxyphenylhydrazone : A hydrazone that is hydrazonomalononitrile in which one of the hydrazine hydrogens is substituted by a p-trifluoromethoxyphenyl group.	2.17	1	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore
papaverine Papaverine: An alkaloid found in opium but not closely related to the other opium alkaloids in its structure or pharmacological actions. It is a direct-acting smooth muscle relaxant used in the treatment of impotence and as a vasodilator, especially for cerebral vasodilation. The mechanism of its pharmacological actions is not clear, but it apparently can inhibit phosphodiesterases and it may have direct actions on calcium channels.. papaverine : A benzylisoquinoline alkaloid that is isoquinoline substituted by methoxy groups at positions 6 and 7 and a 3,4-dimethoxybenzyl group at position 1. It has been isolated from Papaver somniferum.	2.17	1	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
pimobendan pimobendan: produces arterial & venous dilatation in dogs; structure given in first source	2.17	1	benzimidazoles; pyridazinone	cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
terfenadine Terfenadine: A selective histamine H1-receptor antagonist devoid of central nervous system depressant activity. The drug was used for ALLERGY but withdrawn due to causing LONG QT SYNDROME.	2.17	1	diarylmethane
n-isopropyl-n-phenyl-4-phenylenediamine N-isopropyl-N'-phenyl-p-phenylenediamine : The N-substituted diamine that is 1,4-phenylenediamine substituted at one N with an isopropyl group and at the other with a phenyl group.	2.17	1	N-substituted diamine	allergen; antioxidant
3-amino-9-ethylcarbazole 3-amino-9-ethylcarbazole: RN given refers to parent cpd	2.17	1	carbazoles
cycloguanil cycloguanil: the active metabolite of proguanil; antifolate drug; structure in first source. cycloguanil : A triazine in which a 1,6-dihydro-1,3,5-triazine ring is substituted at N-1 by a 4-chlorophenyl group, at C-2 and -4 by amino groups and at C-6 by gem-dimethyl groups. A dihydrofolate reductase inhibitor, it is a metabolite of the antimalarial drug proguanil.	2.17	1	triazines	antifolate; antiinfective agent; antimalarial; antiparasitic agent; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
2,4,6-trichlorophenyl 4-nitrophenyl ether 2,4,6-trichlorophenyl 4-nitrophenyl ether: structure	2.17	1	aromatic ether; C-nitro compound; chlorobenzenes	EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
2-phenylthiazolidine-4-carboxylic acid 2-phenylthiazolidine-4-carboxylic acid: RN given refers to cpd without isomeric designation	2.17	1
benz(cd)indol-2(1h)-one benz(cd)indol-2(1H)-one: structure in first source	2.17	1
tetraphenylcyclopentadienone tetraphenylcyclopentadienone: singlet oxygen trapping agent	2.17	1	stilbenoid
3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine [no description available]	2.17	1	1,2,4-triazines
honokiol [no description available]	2.17	1	biphenyls
bathophenanthroline 4,7-diphenyl-1,10-phenanthroline : A member of the class of phenanthrolines that is 1,10-phenanthroline bearing two phenyl substituents at positions 4 and 7.	2.17	1	benzenes; phenanthrolines	chelator
2-phenyl-4,5-dichloro-3-pyridazinone [no description available]	2.17	1
n-benzylmaleimide [no description available]	2.17	1
phenylglycine nitrile phenylglycine nitrile: structure in first source	2.17	1
4,5-dimethyl-1,2-phenylenediamine 4,5-dimethyl-1,2-phenylenediamine: RN given refers to parent cpd	2.17	1
mmv665852 MMV665852: an antischistosomal agent	2.17	1
n-(2-methoxyphenyl)maleimide N-(2-methoxyphenyl)maleimide: structure given in first source	2.17	1
2-aminoperimidine 2-aminoperimidine: inhibits bacterial NhaA Na/H+ antiporters; structure in first source	2.17	1
1,3-bis(3-chlorophenyl)urea [no description available]	2.17	1	ureas
2-phenyl-4-oxohydroquinoline 2-phenyl-4-oxohydroquinoline: structure given in first source	2.17	1
2-chloro-3-(4-methylanilino)naphthalene-1,4-dione [no description available]	2.17	1	1,4-naphthoquinones
mequindox Mequindox: a synthetic quinoxaline 1,4-dioxide derivative which can effectively improve growth and feed efficiency in animals; structure in first source	2.17	1
1,3-bis(3,5-dichlorophenyl)urea 1,3-bis(3,5-dichlorophenyl)urea: COH - City of Hope; has antineoplastic activity	2.17	1
dienestrol Dienestrol: A synthetic, non-steroidal estrogen structurally related to stilbestrol. It is used, usually as the cream, in the treatment of menopausal and postmenopausal symptoms.. dienestrol : An olefinic compound that is hexa-2,4-diene substituted by 4-hydroxyphenyl groups at positions 3 and 4 respectively.	2.17	1
cinnamoylglycine cinnamoylglycine: structure given in first source. N-cinnamoylglycine : An N-acylglycine in which the acyl group is specified as (2E)-3-phenylprop-2-enoyl (cinnamoyl).	2.17	1	N-acylglycine	metabolite
4-(4-ethoxyphenyl)-4-oxobutanoic acid [no description available]	2.17	1	aromatic ketone
3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one [no description available]	2.17	1	pyrazoles; ring assembly
N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-thiophenecarboxamide [no description available]	2.17	1	aromatic amide
4-chloro-N-[3-cyano-4-(phenylthio)phenyl]benzamide [no description available]	2.17	1	benzamides
3-(4-morpholinyl)-4-(2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1-pyrazolecarboxamide [no description available]	2.17	1	pyrazolopyridine
7-chloro-2-methyl-4-(4-methylphenyl)sulfonylthiazolo[5,4-b]indole [no description available]	2.17	1	sulfonamide
4-[2-[(2,6-dimethoxyphenyl)-oxomethoxy]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester [no description available]	2.17	1	methoxybenzoic acid
2-(1H-benzimidazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone [no description available]	2.17	1	benzimidazoles
2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] ester [no description available]	2.17	1	aromatic ether
2-(1,3-benzoxazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone [no description available]	2.17	1	benzoxazole
3-(4-chlorophenyl)-2-methyl-3,3a,4,5-tetrahydrobenzo[g]indazole [no description available]	2.17	1	tetralins
6-hydroxy-4-methyl-2-phenyl-2,3-dihydropyridazin-3-one [no description available]	2.17	1	pyridazinone
1-(4-chlorophenyl)-3-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]urea 1-(4-chlorophenyl)-3-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]urea : An member of the class of phenylureas that is urea having 4-chlorophenyl and 4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl groups attached at positions 1 and 3 respectively.	2.17	1	1,3-thiazoles; monochlorobenzenes; phenylureas; thiophenes
N'-[(4-chlorophenyl)-oxomethyl]-2-methyl-4-thiazolecarbohydrazide [no description available]	2.58	2	carbonyl compound; organohalogen compound
bi-78d3 [no description available]	2.17	1	aryl sulfide
n-(3-chloro-4-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide N-(3-chloro-4-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide: activates the plant defense response; structure in first source. tiadinil : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 4-methyl-1,2,3-thiadiazole-5-carboxylic acid with the amino group of 3-chloro-4-methylaniline. It is a fungicide used particularly for the control of fungal diseases in rice.	2.17	1	anilide fungicide; monocarboxylic acid amide; monochlorobenzenes; organosulfur compound; thiadiazoles	antifungal agrochemical
2-amino-4-(2-chlorophenyl)-6-[(4-chlorophenyl)thio]pyridine-3,5-dicarbonitrile [no description available]	2.17	1	phenylpyridine
2-[5-[(3-chlorophenyl)thio]-2-thiophenyl]pyridine [no description available]	2.17	1	aryl sulfide
8-methylsulfinyl-4,5-dihydrothieno[3,4-g][2,1]benzoxazole-6-carboxylic acid ethyl ester [no description available]	2.17	1	thiophenecarboxylic acid
1-(5-tert-butyl-2-methyl-3-pyrazolyl)-3-(3,5-dichlorophenyl)urea [no description available]	2.17	1	ureas
4-[[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl]morpholine [no description available]	2.17	1	isoquinolines
7-chloro-3-hydroxy-2-[3-(trifluoromethyl)phenyl]-4-quinazolinone [no description available]	2.17	1	quinazolines
2-(1H-benzimidazol-2-ylthio)-1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]ethanone [no description available]	2.17	1	benzimidazoles
ethyl 4-(3-oxo-2,3-dihydroisothiazol-2-yl)benzoate [no description available]	2.17	1	organic molecular entity
7-chloro-N-(phenylmethyl)-4-quinolinamine [no description available]	2.17	1	aminoquinoline
6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-4-quinolinamine [no description available]	2.17	1	aminoquinoline
2-acetylpyridine thiosemicarbazone 2-acetylpyridine thiosemicarbazone: RN given refers to parent cpd	2.17	1
1-isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-urea 1-isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-urea: structure in first source	2.17	1
4-(4-chlorophenyl)-3-methylbut-3-en-2-oxime 4-(4-chlorophenyl)-3-methylbut-3-en-2-oxime: a TRPA1 antagonist	2.17	1

Condition	Relationship Strength	Studies
Plasmodium falciparum Malaria [description not available]	2.1	1
Malaria, Falciparum Malaria caused by PLASMODIUM FALCIPARUM. This is the severest form of malaria and is associated with the highest levels of parasites in the blood. This disease is characterized by irregularly recurring febrile paroxysms that in extreme cases occur with acute cerebral, renal, or gastrointestinal manifestations.	2.1	1
Anemia, Fanconi [description not available]	2.13	1
Fanconi Anemia Congenital disorder affecting all bone marrow elements, resulting in ANEMIA; LEUKOPENIA; and THROMBOPENIA, and associated with cardiac, renal, and limb malformations as well as dermal pigmentary changes. Spontaneous CHROMOSOME BREAKAGE is a feature of this disease along with predisposition to LEUKEMIA. There are at least 7 complementation groups in Fanconi anemia: FANCA, FANCB, FANCC, FANCD1, FANCD2, FANCE, FANCF, FANCG, and FANCL. (from Online Mendelian Inheritance in Man, http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=227650, August 20, 2004)	2.13	1
Infections, Plasmodium [description not available]	2.17	1
Malaria A protozoan disease caused in humans by four species of the PLASMODIUM genus: PLASMODIUM FALCIPARUM; PLASMODIUM VIVAX; PLASMODIUM OVALE; and PLASMODIUM MALARIAE; and transmitted by the bite of an infected female mosquito of the genus ANOPHELES. Malaria is endemic in parts of Asia, Africa, Central and South America, Oceania, and certain Caribbean islands. It is characterized by extreme exhaustion associated with paroxysms of high FEVER; SWEATING; shaking CHILLS; and ANEMIA. Malaria in ANIMALS is caused by other species of plasmodia.	2.17	1

N'2-[3-(trifluoromethyl)benzoyl]-3-aminopyrazine-2-carbohydrazide

Cross-References

Synonyms (7)

Drug Classes (1)

Protein Targets (1)

Inhibition Measurements

Biological Processes (23)

Molecular Functions (5)

Ceullar Components (11)

Bioassays (8)

Research

Studies (5)

Market Indicators

Research Demand Index: 12.72

Study Types

N'2-[3-(trifluoromethyl)benzoyl]-3-aminopyrazine-2-carbohydrazide

Cross-References

Synonyms (7)

Drug Classes (1)

Protein Targets (1)

Inhibition Measurements

Biological Processes (23)

Molecular Functions (5)

Ceullar Components (11)

Bioassays (8)

Research

Studies (5)

Market Indicators

Research Demand Index: 12.72

Study Types

Related Drugs (63)

Related Conditions (6)