| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
ammonium hydroxide
azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2. | 2.07 | 1 | 0 | azane;
gas molecular entity;
mononuclear parent hydride | EC 3.5.1.4 (amidase) inhibitor;
metabolite;
mouse metabolite;
neurotoxin;
NMR chemical shift reference compound;
nucleophilic reagent;
refrigerant |
butyraldehyde
[no description available] | 2.01 | 1 | 0 | butanals | biomarker;
Escherichia coli metabolite;
mouse metabolite |
formic acid
formic acid: RN given refers to parent cpd. formic acid : The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects. | 2.04 | 1 | 0 | monocarboxylic acid | antibacterial agent;
astringent;
metabolite;
protic solvent;
solvent |
indole
[no description available] | 2.03 | 1 | 0 | indole;
polycyclic heteroarene | Escherichia coli metabolite |
methanol
Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group. | 2.99 | 4 | 0 | alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound | amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite |
melatonin
[no description available] | 7.17 | 1 | 0 | acetamides;
tryptamines | anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger |
pyridine
azine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'. | 2.36 | 2 | 0 | azaarene;
mancude organic heteromonocyclic parent;
monocyclic heteroarene;
pyridines | environmental contaminant;
NMR chemical shift reference compound |
anabasine
[no description available] | 1.96 | 1 | 0 | piperidine alkaloid;
pyridine alkaloid | nicotinic acetylcholine receptor agonist;
plant metabolite;
teratogenic agent |
atenolol
Atenolol: A cardioselective beta-1 adrenergic blocker possessing properties and potency similar to PROPRANOLOL, but without a negative inotropic effect.. atenolol : An ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent. | 2.05 | 1 | 0 | ethanolamines;
monocarboxylic acid amide;
propanolamine | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic |
4-cresol
4-cresol: RN given refers to parent cpd. p-cresol : A cresol that consists of toluene substituted by a hydroxy group at position 4. It is a metabolite of aromatic amino acid metabolism produced by intestinal microflora in humans and animals. | 2.03 | 1 | 0 | cresol | Escherichia coli metabolite;
human metabolite;
uremic toxin |
isoniazid
Hydra: A genus of freshwater polyps in the family Hydridae, order Hydroida, class HYDROZOA. They are of special interest because of their complex organization and because their adult organization corresponds roughly to the gastrula of higher animals.. hydrazide : Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing -OH by -NRNR2 (R groups are commonly H). (IUPAC). | 1.95 | 1 | 0 | carbohydrazide | antitubercular agent;
drug allergen |
mecamylamine
Mecamylamine: A nicotinic antagonist that is well absorbed from the gastrointestinal tract and crosses the blood-brain barrier. Mecamylamine has been used as a ganglionic blocker in treating hypertension, but, like most ganglionic blockers, is more often used now as a research tool. | 1.96 | 1 | 0 | primary aliphatic amine | |
memantine
[no description available] | 7.17 | 1 | 0 | adamantanes;
primary aliphatic amine | antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist |
carbachol
Carbachol: A slowly hydrolyzed CHOLINERGIC AGONIST that acts at both MUSCARINIC RECEPTORS and NICOTINIC RECEPTORS. | 1.96 | 1 | 0 | ammonium salt;
carbamate ester | cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic |
isonicotinic acid
isonicotinic acid : A pyridinemonocarboxylic acid in which the carboxy group is at position 4 of the pyridine ring. | 1.95 | 1 | 0 | pyridinemonocarboxylic acid | algal metabolite;
human metabolite |
2-propylamine
2-propylamine: RN given refers to parent cpd | 2.04 | 1 | 0 | alkylamines;
primary aliphatic amine | |
isobutyraldehyde
isobutyraldehyde : A member of the class of propanals that is propanal substituted by a methyl group at position 2. | 2.01 | 1 | 0 | 2-methyl-branched fatty aldehyde;
propanals | Saccharomyces cerevisiae metabolite |
quinoline
[no description available] | 2.03 | 1 | 0 | azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinolines | |
2-vinylpyridine
[no description available] | 1.95 | 1 | 0 | | |
2-benzylpyridine
2-benzylpyridine: an inducer of hepatic microsomal cytochrome P450 | 1.95 | 1 | 0 | | |
2,6-lutidine
2,6-dimethylpyridine : A member of the class of methylpyridines that is pyridine carrying methyl substituents at positions 2 and 6. | 1.96 | 1 | 0 | methylpyridines | |
4-methylpyridine
4-methylpyridine: structure in first source. 4-methylpyridine : A methylpyridine in which the methyl substituent is at position 4. | 2.39 | 2 | 0 | methylpyridine | |
3-methylpyridine
3-methylpyridine : A methylpyridine that is pyridine substituted by a methyl group at position 3. | 1.96 | 1 | 0 | methylpyridine | |
2-methylpiperidine
2-methylpiperidine: RN given refers to parent cpd without isomeric designation; structure given in first source | 1.96 | 1 | 0 | piperidines | |
2-picoline
2-picoline: structure in first source. 2-methylpyridine : A methylpyridine carrying a methyl substituent at position 2. | 2.36 | 2 | 0 | methylpyridine | |
2-chloropyridine
2-chloropyridine: structure given in first source | 1.95 | 1 | 0 | monochloropyridine | |
diethylamine
[no description available] | 2.07 | 1 | 0 | secondary aliphatic amine | |
pyrroles
1H-pyrrole : A tautomer of pyrrole that has the double bonds at positions 2 and 4.. pyrrole : A five-membered monocyclic heteroarene comprising one NH and four CH units which forms the parent compound of the pyrrole group of compounds. Its five-membered ring structure has three tautomers. A 'closed class'.. azole : Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen. | 2.03 | 1 | 0 | pyrrole;
secondary amine | |
piperidine
[no description available] | 1.96 | 1 | 0 | azacycloalkane;
piperidines;
saturated organic heteromonocyclic parent;
secondary amine | base;
catalyst;
human metabolite;
non-polar solvent;
plant metabolite;
protic solvent;
reagent |
n-methylpyrrolidine
N-methylpyrrolidine: RN given refers to parent cpd | 1.96 | 1 | 0 | | |
ethyl acetate
ethyl acetate : The acetate ester formed between acetic acid and ethanol. | 2.17 | 1 | 0 | acetate ester;
ethyl ester;
volatile organic compound | EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor;
metabolite;
polar aprotic solvent;
Saccharomyces cerevisiae metabolite |
2-hydroxypyridine
hydroxypyridine : Any member of the class of pyridines with at least one hydroxy substituent.. pyridin-2-ol : A monohydroxypyridine that is pyridine substituted by a hydroxy group at position 2. | 2.38 | 2 | 0 | monohydroxypyridine | plant metabolite |
pyrazines
Pyrazines: A heterocyclic aromatic organic compound with the chemical formula C4H4N2.. pyrazine : A diazine that is benzene in which the carbon atoms at positions 1 and 4 have been replaced by nitrogen atoms. | 2.97 | 4 | 0 | diazine;
pyrazines | Daphnia magna metabolite |
2-fluoropyridine
[no description available] | 1.95 | 1 | 0 | | |
coniine
coniine: alkaloid isolated from Conium maculatum L.; properties as an analgesics, antineuralgic, & teratogen; RN given refers to parent cpd without isomeric designation; structure | 1.96 | 1 | 0 | | |
3-aminopyridine
[no description available] | 1.96 | 1 | 0 | | |
alpha-aminopyridine
alpha-aminopyridine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #485. aminopyridine : Compounds containing a pyridine skeleton substituted by one or more amine groups. | 2.36 | 2 | 0 | | |
3-ethylpyridine
3-ethylpyridine: structure given in Merck | 7.94 | 4 | 0 | pyridines | |
nicotinic acid hydrazide
nicotinic acid hydrazide: structural homolog of isoniazid; structure given in first source | 1.95 | 1 | 0 | | |
n,n-dimethylethylamine
[no description available] | 2.07 | 1 | 0 | | |
n-methylpiperidine
N-methylpiperidine: RN given refers to parent cpd | 1.96 | 1 | 0 | | |
2-phenylpyridine
2-phenylpyridine: structure given in first source | 1.95 | 1 | 0 | | |
ammonium hydroxide
Ammonium Hydroxide: The hydroxy salt of ammonium ion. It is formed when AMMONIA reacts with water molecules in solution.. ammonium hydroxide : A solution of ammonia in water. | 2.07 | 1 | 0 | inorganic hydroxy compound | food acidity regulator |
dimethyl trisulfide
[no description available] | 2.01 | 1 | 0 | organic trisulfide | |
n-hydroxypiperidine
[no description available] | 1.96 | 1 | 0 | | |
deuterium
Deuterium: The stable isotope of hydrogen. It has one neutron and one proton in the nucleus. | 1.97 | 1 | 0 | dihydrogen | |
phenyl acetate
phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid. | 2.49 | 2 | 0 | benzenes;
phenyl acetates | |
4-ethylphenol
4-ethylphenol: RN given refers to parent cpd. 4-ethylphenol : A member of the class of phenols carrying an ethyl substituent at position 4. | 2.03 | 1 | 0 | phenols | fungal xenobiotic metabolite |
pyrrolidine
[no description available] | 1.96 | 1 | 0 | azacycloalkane;
pyrrolidines;
saturated organic heteromonocyclic parent | |
diltiazem
Diltiazem: A benzothiazepine derivative with vasodilating action due to its antagonism of the actions of CALCIUM ion on membrane functions.. diltiazem : A 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have S configuration. A calcium-channel blocker and vasodilator, it is used as the hydrochloride in the management of angina pectoris and hypertension. | 2.05 | 1 | 0 | 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate | antihypertensive agent;
calcium channel blocker;
vasodilator agent |
naphthalimides
Naphthalimides: Compounds with three fused rings that appear like a naphthalene fused to piperidone or like a benz(de)isoquinoline-1,3-dione (not to be confused with BENZYLISOQUINOLINES which have a methyl separating the naphthyl from the benzyl rings). Members are CYTOTOXINS. | 2.21 | 1 | 0 | | |
3-methylpiperidine
3-methylpiperidine: structure in first source | 1.96 | 1 | 0 | | |
nicotine
(S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum. | 1.96 | 1 | 0 | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic |
naproxen
Naproxen: An anti-inflammatory agent with analgesic and antipyretic properties. Both the acid and its sodium salt are used in the treatment of rheumatoid arthritis and other rheumatic or musculoskeletal disorders, dysmenorrhea, and acute gout.. naproxen : A methoxynaphthalene that is 2-methoxynaphthalene substituted by a carboxy ethyl group at position 6. Naproxen is a non-steroidal anti-inflammatory drug commonly used for the reduction of pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, kidney stones, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, menstrual cramps, tendinitis, bursitis, and for the treatment of primary dysmenorrhea. It works by inhibiting both the COX-1 and COX-2 enzymes. | 2.05 | 1 | 0 | methoxynaphthalene;
monocarboxylic acid | antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic |
atropine
tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate : A tropane alkaloid that is (1R,5)-8-methyl-8-azabicyclo[3.2.1]octane substituted by a (3-hydroxy-2-phenylpropanoyl)oxy group at position 3. | 1.96 | 1 | 0 | | |
ammonium acetate
ammonium acetate : An ammonium salt obtained by reaction of ammonia with acetic acid. A deliquescent white crystalline solid, it has a relatively low melting point (114degreeC) for a salt. Used as a food acidity regulator, although no longer approved for this purpose in the EU. | 2.05 | 1 | 0 | acetate salt;
ammonium salt | buffer;
food acidity regulator |
lobeline
[no description available] | 1.96 | 1 | 0 | | |