Compounds > sk&f 102698
Page last updated: 2024-11-12

sk&f 102698

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

Cross-References

ID SourceID
PubMed CID10398787
CHEMBL ID278068
SCHEMBL ID6714636
SCHEMBL ID9400818
MeSH IDM0148797

Synonyms (15)

Synonym
CHEMBL278068 ,
1-(3,5-difluorobenzyl)-2-mercaptoimidazole
WPMVQUHUCQAOBU-UHFFFAOYSA-N
1-(3,5-difluoro-benzyl)-1,3-dihydro-imidazole-2-thione
bdbm50014983
SCHEMBL6714636
SCHEMBL9400818
skf-102698
95333-81-6
imidazole-2-thione,3-(3,5-difluorobenzyl)-
DTXSID80876205
1-(3,5-difluorobenzyl)-1,3-dihydro-2h-imidazole-2-thione
3-[(3,5-difluorophenyl)methyl]-1h-imidazole-2-thione
1-[(3,5-difluorophenyl)methyl]-1h-imidazole-2-thiol
EN300-6734378

Research Excerpts

Dosage Studied

ExcerptRelevanceReference
" A divergence between in vitro potency and in vivo efficacy upon oral dosing was noted and is suggested to result from an in vivo metabolic conjugation of the phenolic group of inhibitor."( Multisubstrate inhibitors of dopamine beta-hydroxylase. 2. Structure-activity relationships at the phenethylamine binding site.
DeWolf, WE; Erickson, RW; Flaim, KE; Frazee, JS; Kaiser, C; Kruse, LI; Ross, ST; Sawyer, JL; Wawro, J; Wise, M, 1987)		0.27
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (4)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Dopamine beta-hydroxylaseHomo sapiens (human)IC50 (µMol)1.20231.20232.07793.0000AID62155; AID62281
Dopamine beta-hydroxylase Bos taurus (cattle)IC50 (µMol)0.87000.05001.49432.6000AID61959; AID62274; AID62275
Dopamine beta-hydroxylase Bos taurus (cattle)Ki0.04100.04100.13220.3440AID61993
Dopamine beta-hydroxylaseRattus norvegicus (Norway rat)IC50 (µMol)1.20110.70001.65452.6000AID62149; AID62278
5-hydroxytryptamine receptor 4 Rattus norvegicus (Norway rat)IC50 (µMol)1.20230.00501.35524.6000AID62278
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Other Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Dopamine beta-hydroxylase Bos taurus (cattle)Kis0.04100.04100.13200.3440AID62126
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (23)

Processvia Protein(s)Taxonomy
blood vessel remodelingDopamine beta-hydroxylaseHomo sapiens (human)
response to amphetamineDopamine beta-hydroxylaseHomo sapiens (human)
leukocyte mediated immunityDopamine beta-hydroxylaseHomo sapiens (human)
chemical synaptic transmissionDopamine beta-hydroxylaseHomo sapiens (human)
memoryDopamine beta-hydroxylaseHomo sapiens (human)
locomotory behaviorDopamine beta-hydroxylaseHomo sapiens (human)
visual learningDopamine beta-hydroxylaseHomo sapiens (human)
homoiothermyDopamine beta-hydroxylaseHomo sapiens (human)
vasoconstrictionDopamine beta-hydroxylaseHomo sapiens (human)
dopamine catabolic processDopamine beta-hydroxylaseHomo sapiens (human)
norepinephrine biosynthetic processDopamine beta-hydroxylaseHomo sapiens (human)
glucose homeostasisDopamine beta-hydroxylaseHomo sapiens (human)
fear responseDopamine beta-hydroxylaseHomo sapiens (human)
maternal behaviorDopamine beta-hydroxylaseHomo sapiens (human)
positive regulation of vasoconstrictionDopamine beta-hydroxylaseHomo sapiens (human)
behavioral response to ethanolDopamine beta-hydroxylaseHomo sapiens (human)
response to painDopamine beta-hydroxylaseHomo sapiens (human)
leukocyte migrationDopamine beta-hydroxylaseHomo sapiens (human)
positive regulation of cold-induced thermogenesisDopamine beta-hydroxylaseHomo sapiens (human)
regulation of vascular associated smooth muscle cell proliferationDopamine beta-hydroxylaseHomo sapiens (human)
regulation of vascular endothelial cell proliferationDopamine beta-hydroxylaseHomo sapiens (human)
regulation of extrinsic apoptotic signaling pathwayDopamine beta-hydroxylaseHomo sapiens (human)
octopamine biosynthetic processDopamine beta-hydroxylaseHomo sapiens (human)
dopamine catabolic processDopamine beta-hydroxylase Bos taurus (cattle)
norepinephrine biosynthetic processDopamine beta-hydroxylase Bos taurus (cattle)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (5)

Processvia Protein(s)Taxonomy
catalytic activityDopamine beta-hydroxylaseHomo sapiens (human)
dopamine beta-monooxygenase activityDopamine beta-hydroxylaseHomo sapiens (human)
copper ion bindingDopamine beta-hydroxylaseHomo sapiens (human)
protein bindingDopamine beta-hydroxylaseHomo sapiens (human)
L-ascorbic acid bindingDopamine beta-hydroxylaseHomo sapiens (human)
dopamine beta-monooxygenase activityDopamine beta-hydroxylase Bos taurus (cattle)
copper ion bindingDopamine beta-hydroxylase Bos taurus (cattle)
L-ascorbic acid bindingDopamine beta-hydroxylase Bos taurus (cattle)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (13)

Processvia Protein(s)Taxonomy
extracellular regionDopamine beta-hydroxylaseHomo sapiens (human)
extracellular spaceDopamine beta-hydroxylaseHomo sapiens (human)
cytoplasmDopamine beta-hydroxylaseHomo sapiens (human)
endoplasmic reticulumDopamine beta-hydroxylaseHomo sapiens (human)
membraneDopamine beta-hydroxylaseHomo sapiens (human)
transport vesicle membraneDopamine beta-hydroxylaseHomo sapiens (human)
secretory granule membraneDopamine beta-hydroxylaseHomo sapiens (human)
centriolar satelliteDopamine beta-hydroxylaseHomo sapiens (human)
chromaffin granule lumenDopamine beta-hydroxylaseHomo sapiens (human)
secretory granule lumenDopamine beta-hydroxylaseHomo sapiens (human)
chromaffin granule membraneDopamine beta-hydroxylaseHomo sapiens (human)
intracellular membrane-bounded organelleDopamine beta-hydroxylaseHomo sapiens (human)
synapseDopamine beta-hydroxylaseHomo sapiens (human)
extracellular spaceDopamine beta-hydroxylaseHomo sapiens (human)
secretory granule membraneDopamine beta-hydroxylaseHomo sapiens (human)
extracellular spaceDopamine beta-hydroxylase Bos taurus (cattle)
transport vesicle membraneDopamine beta-hydroxylase Bos taurus (cattle)
chromaffin granule lumenDopamine beta-hydroxylase Bos taurus (cattle)
secretory granule lumenDopamine beta-hydroxylase Bos taurus (cattle)
chromaffin granule membraneDopamine beta-hydroxylase Bos taurus (cattle)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (32)

Assay IDTitleYearJournalArticle
AID61959Inhibitory Concentration against bovine Dopamine beta hydroxylase (DBH); Range is between (1.0-1.9)1987Journal of medicinal chemistry, Mar, Volume: 30, Issue:3
Multisubstrate inhibitors of dopamine beta-hydroxylase. 2. Structure-activity relationships at the phenethylamine binding site.
AID186842In vivo evaluation ot the compound in spontaneously hypertensive rats for the mean arterial blood pressure1986Journal of medicinal chemistry, Jun, Volume: 29, Issue:6
Substituted 1-benzylimidazole-2-thiols as potent and orally active inhibitors of dopamine beta-hydroxylase.
AID231969Ratio of dopamine to that of NE levels in mesenteric artery measured at 100 mg/kg po1986Journal of medicinal chemistry, Jun, Volume: 29, Issue:6
Substituted 1-benzylimidazole-2-thiols as potent and orally active inhibitors of dopamine beta-hydroxylase.
AID229987In vivo evaluation ot the compound in spontaneously hypertensive rats for the catecholamine levels by taking the ratio of copamine to norepinephrine1986Journal of medicinal chemistry, Jun, Volume: 29, Issue:6
Substituted 1-benzylimidazole-2-thiols as potent and orally active inhibitors of dopamine beta-hydroxylase.
AID62278Inhibition of dopamine beta-hydroxylase (DbetaH) in hypertensive rats when administered orally (or) intraperitoneally1990Journal of medicinal chemistry, Jan, Volume: 33, Issue:1
1-(substituted-benzyl)imidazole-2(3H)-thione inhibitors of dopamine beta-hydroxylase.
AID62281Inhibition of dopamine beta-hydroxylase (DbetaH) enzyme1997Journal of medicinal chemistry, Dec-19, Volume: 40, Issue:26
Three-dimensional quantitative structure-activity relationships from molecular similarity matrices and genetic neural networks. 2. Applications.
AID193201Mean arterial blood pressure at 4 hr post drug at ip dose of 50 mg/kg for the indicated number of SHR (spontaneous hypertensive rats) relative to blood pressure before dosing1987Journal of medicinal chemistry, Mar, Volume: 30, Issue:3
Multisubstrate inhibitors of dopamine beta-hydroxylase. 2. Structure-activity relationships at the phenethylamine binding site.
AID17856DBH (dopamine beta-hydroxylase) activity expressed as Ki value determined by degree to which compound inhibited conversion of tyramine to octopamine1990Journal of medicinal chemistry, Jul, Volume: 33, Issue:7
1-(Thienylalkyl)imidazole-2(3H)-thiones as potent competitive inhibitors of dopamine beta-hydroxylase.
AID185476DBH inhibitory activity was measured as NE levels in mesenteric artery at dose of 50 mg/kg, po1986Journal of medicinal chemistry, Jun, Volume: 29, Issue:6
Substituted 1-benzylimidazole-2-thiols as potent and orally active inhibitors of dopamine beta-hydroxylase.
AID185477DBH inhibitory activity was measured as dopamine levels in mesenteric artery at dose of 100 mg/kg, po1986Journal of medicinal chemistry, Jun, Volume: 29, Issue:6
Substituted 1-benzylimidazole-2-thiols as potent and orally active inhibitors of dopamine beta-hydroxylase.
AID62280Inhibitory activity towards dopamine beta-hydroxylase (DbetaH) in hypertensive rats when administered orally (or) intraperitoneally activity expressed as log IC50; nd=No data1990Journal of medicinal chemistry, Jan, Volume: 33, Issue:1
1-(substituted-benzyl)imidazole-2(3H)-thione inhibitors of dopamine beta-hydroxylase.
AID62274Inhibitory activity against bovine adrenal dopamine beta-hydroxylase (DBH)1990Journal of medicinal chemistry, Jul, Volume: 33, Issue:7
1-(Thienylalkyl)imidazole-2(3H)-thiones as potent competitive inhibitors of dopamine beta-hydroxylase.
AID23486Partition coefficient (logP)1987Journal of medicinal chemistry, Mar, Volume: 30, Issue:3
Multisubstrate inhibitors of dopamine beta-hydroxylase. 2. Structure-activity relationships at the phenethylamine binding site.
AID173884Antihypertensive activity was determined by decrease in blood pressure response in spontaneously hypertensive rat was determined after intraperitoneal administration at a dose of 50 mg/kg1987Journal of medicinal chemistry, Aug, Volume: 30, Issue:8
Inhibitors of dopamine beta-hydroxylase. 3. Some 1-(pyridylmethyl)imidazole-2-thiones.
AID184114Percent increase in DA/NE ratio was determined from assay of DA and NE in the mesenteric artery of spontaneously hypertensive rat after two doses for 50 mg/kg peroral administration1987Journal of medicinal chemistry, Aug, Volume: 30, Issue:8
Inhibitors of dopamine beta-hydroxylase. 3. Some 1-(pyridylmethyl)imidazole-2-thiones.
AID62149Inhibition of Dopamine beta hydroxylase in spontaneously hypertensive rats; Value ranges from 1.1-1.41987Journal of medicinal chemistry, Aug, Volume: 30, Issue:8
Inhibitors of dopamine beta-hydroxylase. 3. Some 1-(pyridylmethyl)imidazole-2-thiones.
AID62155Inhibition of dopamine beta hydroxylase1995Journal of medicinal chemistry, Jun-09, Volume: 38, Issue:12
Receptor surface models. 2. Application to quantitative structure-activity relationships studies.
AID62275Inhibitory activity was determined against bovine dopamine beta-hydroxylase (DBH)1990Journal of medicinal chemistry, Feb, Volume: 33, Issue:2
Some benzyl-substituted imidazoles, triazoles, tetrazoles, pyridinethiones, and structural relatives as multisubstrate inhibitors of dopamine beta-hydroxylase. 4. Structure-activity relationships at the copper binding site.
AID185480DBH inhibitory activity was measured as dopamine levels in mesenteric artery at dose of 50 mg/kg, po1986Journal of medicinal chemistry, Jun, Volume: 29, Issue:6
Substituted 1-benzylimidazole-2-thiols as potent and orally active inhibitors of dopamine beta-hydroxylase.
AID185475DBH inhibitory activity was measured as NE levels in mesenteric artery at dose of 25 mg/kg, po1986Journal of medicinal chemistry, Jun, Volume: 29, Issue:6
Substituted 1-benzylimidazole-2-thiols as potent and orally active inhibitors of dopamine beta-hydroxylase.
AID231970Ratio of dopamine to that of NE levels in mesenteric artery measured at 25 mg/kg po1986Journal of medicinal chemistry, Jun, Volume: 29, Issue:6
Substituted 1-benzylimidazole-2-thiols as potent and orally active inhibitors of dopamine beta-hydroxylase.
AID62133Inhibitor dissociation constant vs. tyramine substrate against Dopamine beta hydroxylase at pH 6.0;ND IS defined as no-data.1987Journal of medicinal chemistry, Mar, Volume: 30, Issue:3
Multisubstrate inhibitors of dopamine beta-hydroxylase. 2. Structure-activity relationships at the phenethylamine binding site.
AID193786Change in DA/NE (Dopamine/Norepinephrine) ratio after oral dosing (50 mg/kg)1987Journal of medicinal chemistry, Mar, Volume: 30, Issue:3
Multisubstrate inhibitors of dopamine beta-hydroxylase. 2. Structure-activity relationships at the phenethylamine binding site.
AID185478DBH inhibitory activity was measured as dopamine levels in mesenteric artery at dose of 25 mg/kg, po1986Journal of medicinal chemistry, Jun, Volume: 29, Issue:6
Substituted 1-benzylimidazole-2-thiols as potent and orally active inhibitors of dopamine beta-hydroxylase.
AID61993Binding affinity towards Dopamine beta hydroxylase using tyramine substrate at pH 4.5 in the absence of fumarate1986Journal of medicinal chemistry, Jun, Volume: 29, Issue:6
Substituted 1-benzylimidazole-2-thiols as potent and orally active inhibitors of dopamine beta-hydroxylase.
AID185474DBH inhibitory activity was measured as NE levels in mesenteric artery at dose of 100 mg/kg, po1986Journal of medicinal chemistry, Jun, Volume: 29, Issue:6
Substituted 1-benzylimidazole-2-thiols as potent and orally active inhibitors of dopamine beta-hydroxylase.
AID231971Ratio of dopamine to that of NE levels in mesenteric artery measured at 50 mg/kg po1986Journal of medicinal chemistry, Jun, Volume: 29, Issue:6
Substituted 1-benzylimidazole-2-thiols as potent and orally active inhibitors of dopamine beta-hydroxylase.
AID62125Inhibitor dissociation constant vs. tyramine substrate against Dopamine beta hydroxylase at pH. 6.6;ND IS defined as no-data.1987Journal of medicinal chemistry, Mar, Volume: 30, Issue:3
Multisubstrate inhibitors of dopamine beta-hydroxylase. 2. Structure-activity relationships at the phenethylamine binding site.
AID185479DBH inhibitory activity was measured as dopamine levels in mesenteric artery at dose of 25 mg/kg, po.1986Journal of medicinal chemistry, Jun, Volume: 29, Issue:6
Substituted 1-benzylimidazole-2-thiols as potent and orally active inhibitors of dopamine beta-hydroxylase.
AID62126Inhibitor dissociation constant vs. tyramine substrate against Dopamine beta hydroxylase at pH 4.5.1987Journal of medicinal chemistry, Mar, Volume: 30, Issue:3
Multisubstrate inhibitors of dopamine beta-hydroxylase. 2. Structure-activity relationships at the phenethylamine binding site.
AID193205Mean arterial blood pressure at 4 hr post drug at po dose of 50 mg/kg for the indicated number of SHR (spontaneous hypertensive rats) relative to blood pressure before dosing (expt. no. 12)1987Journal of medicinal chemistry, Mar, Volume: 30, Issue:3
Multisubstrate inhibitors of dopamine beta-hydroxylase. 2. Structure-activity relationships at the phenethylamine binding site.
AID193207Mean arterial blood pressure at 4 hr post drug at po dose of 50 mg/kg for the indicated number of SHR (spontaneous hypertensive rats) relative to blood pressure before dosing (expt. no. 13)1987Journal of medicinal chemistry, Mar, Volume: 30, Issue:3
Multisubstrate inhibitors of dopamine beta-hydroxylase. 2. Structure-activity relationships at the phenethylamine binding site.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (8)

TimeframeStudies, This Drug (%)All Drugs %
pre-19903 (37.50)18.7374
1990's5 (62.50)18.2507
2000's0 (0.00)29.6817
2010's0 (0.00)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.37

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 Index12.37 (24.57)
Research Supply Index2.20 (2.92)
Research Growth Index4.56 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.37)

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%
Other8 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
choline
[no description available]		1.9910cholinesallergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite
dibenzofuran
Dibenzofurans: Compounds that include the structure of dibenzofuran.. dibenzofurans : Any organic heterotricyclic compound based on a dibenzofuran skeleton and its substituted derivatives thereof.. dibenzofuran : A mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions.		1.9910dibenzofurans;
mancude organic heterotricyclic parent;
polycyclic heteroarene		xenobiotic
imidazole
imidazole: RN given refers to parent cpd. 1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1.		1.9910imidazole
bw 284 c 51
[no description available]		1.9910
1-methylimidazole
1-methyl-1H-imidazole : A 1H-imidazole having a methyl substituent at the N-1 position.		1.9910imidazoles
tacrine
Tacrine: A cholinesterase inhibitor that crosses the blood-brain barrier. Tacrine has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimer's disease and other central nervous system disorders.. tacrine : A member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease.		1.9910acridines;
aromatic amine		EC 3.1.1.7 (acetylcholinesterase) inhibitor
fusaric acid
Fusaric Acid: A picolinic acid derivative isolated from various Fusarium species. It has been proposed for a variety of therapeutic applications but is primarily used as a research tool. Its mechanisms of action are poorly understood. It probably inhibits DOPAMINE BETA-HYDROXYLASE, the enzyme that converts dopamine to norepinephrine. It may also have other actions, including the inhibition of cell proliferation and DNA synthesis.		2.3720aromatic carboxylic acid;
pyridines
pentamidine
Pentamidine: Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of PNEUMOCYSTIS pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects.. pentamidine : A diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease.		1.9910aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic
physostigmine
Physostigmine: A cholinesterase inhibitor that is rapidly absorbed through membranes. It can be applied topically to the conjunctiva. It also can cross the blood-brain barrier and is used when central nervous system effects are desired, as in the treatment of severe anticholinergic toxicity.		1.9910carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
neostigmine bromide
neostigmine bromide : The bromide salt of neostigmine.		1.9910bromide salt
edrophonium bromide
[no description available]		1.9910
azomycin
azomycin: RN given refers to parent cpd with specified locant; structure		1.9910C-nitro compound;
imidazoles		antitubercular agent
2-methylimidazole
[no description available]		1.9910
chlormequat
Chlormequat: A plant growth regulator that is commonly used on ornamental plants.. chlormequat : A quaternary ammonium ion that is choline in which the hydroxy group has been replaced by a chlorine. Its salts (particularly the chloride salt, known as chlormequat chloride) are used as plant growth retardants.		1.9910quaternary ammonium ionplant growth retardant
3-hydroxyphenyltrimethylammonium
3-hydroxyphenyltrimethylammonium: RN given refers to parent cpd; structure		1.9910
1-methyl-2-nitroimidazole
[no description available]		1.9910
2,3,7,8-tetrachlorodibenzodioxine
Tetrachlorodibenzodioxin: A mixture of isomers.		1.9910polychlorinated dibenzodioxine
2,4,2',4'-tetrachlorobiphenyl
2,4,2',4'-tetrachlorobiphenyl: structure. 2,2',4,4'-tetrachlorobiphenyl : A tetrachlorobiphenyl that is biphenyl in which each of the phenyl groups is substituted at positions 2 and 4 by chlorines.		1.9910dichlorobenzene;
tetrachlorobiphenyl
butyrylcholine
butyrylcholine: RN given refers to parent cpd		1.9910acylcholine
octachlorodibenzo-4-dioxin
octachlorodibenzo-4-dioxin: RN given refers to unlabeled parent cpd		1.9910polychlorinated dibenzodioxine
butyrylthiocholine
Butyrylthiocholine: A sulfur-containing analog of butyrylcholine which is hydrolyzed by butyrylcholinesterase to butyrate and thiocholine. It is used as a reagent in the determination of butyrylcholinesterase activity.. butyrylthiocholine : A quaternary ammonium ion obtained by the formal condensation of the carboxy group of butyric acid with the thiol group of thiocholine. It is used as a reagent for determination of butyrylcholinesterase activity.		1.9910quaternary ammonium ion
2-chlorodibenzofuran
2-chlorodibenzofuran: structure		1.9910
1,2,3,4-tetrachlorodibenzodioxin
1,2,3,4-tetrachlorodibenzodioxin: structure given in first source		1.9910polychlorinated dibenzodioxine
pcb 118
[no description available]		1.9910dichlorobenzene;
pentachlorobiphenyl;
trichlorobenzene
3,4,3',4'-tetrachlorobiphenyl
3,4,3',4'-tetrachlorobiphenyl: RN given refers to parent cpd. 3,3',4,4'-tetrachlorobiphenyl : A tetrachlorobiphenyl that is biphenyl in which the hydrogens at position 3 and 4 on each phenyl group are replaced by chlorines.		1.9910dichlorobenzene;
tetrachlorobiphenyl
2,3,3',4,4'-pentachlorobiphenyl
[no description available]		1.9910dichlorobenzene;
pentachlorobiphenyl;
trichlorobenzene
2,3,4,5-tetrachlorobiphenyl
tetrachlorobiphenyl : Any polychlorobiphenyl with molecular formula C12H6Cl4.		1.9910tetrachlorobenzene;
tetrachlorobiphenyl
1,2,7,8-tetrachlorodibenzo-p-dioxin
1,2,7,8-tetrachlorodibenzo-p-dioxin: structure in first source		1.9910
2,4,5,2',4',5'-hexachlorobiphenyl
[no description available]		1.9910hexachlorobiphenyl
thiocholine
Thiocholine: A mercaptocholine used as a reagent for the determination of CHOLINESTERASES. It also serves as a highly selective nerve stain.		1.9910
2,3,3',4,4',5-hexachlorobiphenyl
[no description available]		1.9910dichlorobenzene;
hexachlorobiphenyl;
tetrachlorobenzene
2,8-dichlorodibenzo-4-dioxin
2,8-dichlorodibenzo-4-dioxin: metabolite for 2,3,7,8-TCDD		1.9910
1,2,3,4,7,8-hexachlorodibenzodioxin
1,2,3,4,7,8-hexachlorodibenzodioxin: structure given in first source		1.9910polychlorinated dibenzodioxine
1,2,4-trichlorodibenzo-1,4-dioxin
1,2,4-trichlorodibenzo-1,4-dioxin: structure given in first source		1.9910
1,2,3,7,8-pentachlorodibenzo-p-dioxin
[no description available]		1.9910polychlorinated dibenzodioxine
2,3,7,8-tetrabromodibenzo-4-dioxin
2,3,7,8-tetrabromodibenzo-4-dioxin: structure given in first source. 2,3,7,8-tetrabromodibenzodioxine : An organobromine compound that is dibenzodioxine carrying four bromo substituents at positions 2, 3, 7 and 8.		1.9910dibenzodioxine;
organobromine compound
2,3,7,8-tetrachlorodibenzofuran
2,3,7,8-tetrachlorodibenzofuran: toxic product which was generated in Italy due to an explosion in a plant manufacturing 2,4,5-trichlorophenol		1.9910polychlorinated dibenzofuran
2,3,4,7,8-pentachlorodibenzofuran
2,3,4,7,8-pentachlorodibenzofuran: structure given in first source		1.9910polychlorinated dibenzofuran
1,2,3,7,8-pentachlorodibenzofuran
1,2,3,7,8-pentachlorodibenzofuran: structure given in first source; RN given refers to parent cpd		1.9910polychlorinated dibenzofuran
1,2,3,4,7,8-hexachlorodibenzofuran
[no description available]		1.9910polychlorinated dibenzofuran
2,3,4,4'5-pentachlorobiphenyl
[no description available]		1.9910monochlorobenzenes;
pentachlorobiphenyl;
tetrachlorobenzene
1,3-di-(4-imidazolino-2-methoxyphenoxy)propane
1,3-di-(4-imidazolino-2-methoxyphenoxy)propane: structure given in first source		1.9910
3,4,5,3',4'-pentachlorobiphenyl
3,3',4,4',5-pentachlorobiphenyl : A pentachlorobiphenyl in which the chlorines are located at the 3, 4, 5, 3', and 4' positions.		1.9910pentachlorobiphenyl;
trichlorobenzene
propamidine
propamidine: structure given in first source. propamidine : A polyether that is the bis(4-guanidinophenyl) ether of propane-1,3-diol. Used (as its isethionate salt) for the treatment of minor eye or eyelid infections, such as conjunctivitis and blepharitis.		1.9910aromatic ether;
guanidines;
polyether		antimicrobial agent;
antiseptic drug
norharman
norharman: RN given refers to parent cpd. beta-carboline : The parent compound of the beta-carbolines, a tricyclic structure comprising an indole ring system ortho- fused to C-3 and C-4 of a pyridine ring.		1.9910beta-carbolines;
mancude organic heterotricyclic parent		fungal metabolite;
marine metabolite
hexamidine
hexamidine : A polyether that is the bis(4-guanidinophenyl) ether of hexane-1,6-diol.		1.9910aromatic ether;
guanidines;
polyether		antimicrobial agent;
antiseptic drug
2-ethylimidazole
[no description available]		1.9910
2-phenylimidazole
[no description available]		1.9910
2-aminoimidazole
2-aminoimidazole: from catabolism of arginine		1.9910
hexyltrimethylammonium
hexyltrimethylammonium: RN given refers to parent cpd		1.9910
trimethyl(4-oxopentyl)ammonium
trimethyl(4-oxopentyl)ammonium: RN given refers to parent cpd; acetylcholine antag. N,N,N-trimethyl-N-(4-oxopentyl)ammonium : A quaternary ammonium ion in which the substituents on nitrogen are methyl (three) and 4-oxopentyl.		1.9910quaternary ammonium ion
2,5-dihydro-2-(4-methoxyphenyl)-3h-pyrazolo(4,3-c)quinolin-3-one
[no description available]		1.9910
beta-carboline-3-carboxylic acid ethyl ester
beta-carboline-3-carboxylic acid ethyl ester: isolated from brain tissue & urine; extremely potent displacer of diazepam from brain benzodiazepam receptors; structure in first source		1.9910beta-carbolines
beta-carboline-3-carboxylic acid methyl ester
beta-carboline-3-carboxylic acid methyl ester: structure given in first source		1.9910beta-carbolines
1,3-di(4-imidazolinophenoxyl)propane
1,3-di(4-imidazolinophenoxyl)propane: structure given in first source		1.9910
3-ethoxy-beta-carboline
3-ethoxy-beta-carboline: high affinity benzodiazepine receptor ligand with partial inverse agonist properties		1.9910
tert-butyl beta-carboline-3-carboxylate
tert-butyl beta-carboline-3-carboxylate: benzodiazepine receptor antagonist		1.9910
butamidine
butamidine: RN refers to HCl; structure in first source		1.9910
3-chlorodibenzofuran
3-chlorodibenzofuran: structure given in first source		1.9910
1-(4-hydroxybenzyl)imidazole-2-thiol
1-(4-hydroxybenzyl)imidazole-2-thiol: RN & structure given in first source; RN not in Chemline 3/87		3.3670
3-propoxy-beta-carboline
3-propoxy-beta-carboline: structure in first source		1.9910
harman
harman: a beta-carboline; RN given refers to parent cpd; structure. harman : An indole alkaloid fundamental parent with a structure of 9H-beta-carboline carrying a methyl substituent at C-1. It has been isolated from the bark of Sickingia rubra, Symplocus racemosa, Passiflora incarnata, Peganum harmala, Banisteriopsis caapi and Tribulus terrestris, as well as from tobacco smoke. It is a specific, reversible inhibitor of monoamine oxidase A.		1.9910harmala alkaloid;
indole alkaloid fundamental parent;
indole alkaloid		anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
1-Ethyl-9H-pyrido[3,4-b]indole
[no description available]		1.9910harmala alkaloid
ConditionIndicatedRelationship StrengthStudiesTrials