| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
acetone
methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H). | 3.07 | 1 | 0 | ketone body;
methyl ketone;
propanones;
volatile organic compound | EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent |
ammonium hydroxide
azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2. | 2.25 | 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 |
propionic acid
propionic acid : A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group. | 7.04 | 1 | 0 | saturated fatty acid;
short-chain fatty acid | antifungal drug |
fentanyl
Fentanyl: A potent narcotic analgesic, abuse of which leads to habituation or addiction. It is primarily a mu-opioid agonist. Fentanyl is also used as an adjunct to general anesthetics, and as an anesthetic for induction and maintenance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1078). fentanyl : A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-phenyl-1-(2-phenylethyl)piperidin-4-amine with propanoic acid. | 2.25 | 1 | 0 | anilide;
monocarboxylic acid amide;
piperidines | adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic |
fluorouracil
Fluorouracil: A pyrimidine analog that is an antineoplastic antimetabolite. It interferes with DNA synthesis by blocking the THYMIDYLATE SYNTHETASE conversion of deoxyuridylic acid to thymidylic acid.. 5-fluorouracil : A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth. | 2.25 | 1 | 0 | nucleobase analogue;
organofluorine compound | antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic |
fluoxetine
Fluoxetine: The first highly specific serotonin uptake inhibitor. It is used as an antidepressant and often has a more acceptable side-effects profile than traditional antidepressants.. fluoxetine : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder.. N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine : An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group. | 2.25 | 1 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound | |
halothane
[no description available] | 2.25 | 1 | 0 | haloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound | inhalation anaesthetic |
phenacetin
Saridon: contains phenacetin, caffeine, propyphenazone & pyrithyldione | 2.25 | 1 | 0 | acetamides;
aromatic ether | cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug |
riluzole
Riluzole: A glutamate antagonist (RECEPTORS, GLUTAMATE) used as an anticonvulsant (ANTICONVULSANTS) and to prolong the survival of patients with AMYOTROPHIC LATERAL SCLEROSIS. | 2.25 | 1 | 0 | benzothiazoles | |
sevoflurane
Sevoflurane: A non-explosive inhalation anesthetic used in the induction and maintenance of general anesthesia. It does not cause respiratory irritation and may also prevent PLATELET AGGREGATION.. sevoflurane : An ether compound having fluoromethyl and 1,1,1,3,3,3-hexafluoroisopropyl as the two alkyl groups. | 2.25 | 1 | 0 | ether;
organofluorine compound | central nervous system depressant;
inhalation anaesthetic;
platelet aggregation inhibitor |
fluoroacetic acid
fluoroacetic acid: N1 same as NM; RN given refers to parent cpd. fluoroacetic acid : A haloacetic acid that is acetic acid in which one of the methyl hydrogens is substituted by fluorine. | 2.25 | 1 | 0 | haloacetic acid;
organofluorine compound | EC 4.2.1.3 (aconitate hydratase) inhibitor |
alanine
Alanine: A non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases IMMUNITY, and provides energy for muscle tissue, BRAIN, and the CENTRAL NERVOUS SYSTEM.. alanine : An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2. | 2.25 | 1 | 0 | alanine zwitterion;
alanine;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid | EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
fundamental metabolite |
vinyl fluoride
[no description available] | 3.07 | 1 | 0 | gas molecular entity;
monohaloethene | |
1,1-difluoroethylene
1,1-difluoroethylene: structure | 3.51 | 2 | 0 | olefinic compound;
organofluorine compound | |
tetrafluoromethane
tetrafluoromethane: structure in first source | 2.06 | 1 | 0 | fluorocarbon;
fluoromethanes | refrigerant |
trifluoroethanol
Trifluoroethanol: A non-aqueous co-solvent that serves as tool to study protein folding. It is also used in various pharmaceutical, chemical and engineering applications. | 2.25 | 1 | 0 | fluoroalcohol | |
chlorotrifluoroethylene
[no description available] | 8.47 | 2 | 0 | | |
1-chloro-2-nitrobenzene
[no description available] | 2.25 | 1 | 0 | C-nitro compound;
monochlorobenzenes | |
phenetole
phenetole : An aromatic ether in which the ether oxygen is bonded to an ethyl and a phenyl group. | 2.25 | 1 | 0 | aromatic ether | |
2-chloropyridine
2-chloropyridine: structure given in first source | 2.25 | 1 | 0 | monochloropyridine | |
octafluorocyclobutane
perfluorocyclobutane: structure in first source. octafluorocyclobutane : A fluorocarbon that is cyclobutane in which all eight hydrogens are replaced by fluorines. | 2.06 | 1 | 0 | cyclobutanes;
fluorocarbon | food packaging gas;
food propellant |
tetrafluoroethylene
tetrafluoroethylene: RN given refers to parent cpd; structure | 3.53 | 2 | 0 | fluorocarbon | |
ethyl acetate
ethyl acetate : The acetate ester formed between acetic acid and ethanol. | 7.04 | 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 |
pentafluoroethane
[no description available] | 2.06 | 1 | 0 | | |
2-bromopropionic acid, (dl)-isomer
2-bromopropionic acid: RN given refers to cpd without isomeric designation | 2.25 | 1 | 0 | | |
2-chloropropionic acid
2-chloropropionic acid: RN given refers to parent cpd with specified chlorine locant; structure | 2.25 | 1 | 0 | | |
hexafluoroacetone
hexafluoroacetone: structure; RN given refers to parent cpd. hexafluoroacetone : A ketone that is acetone in which all the methyl hydrogens are replaced by fluoro groups. | 3.07 | 1 | 0 | ketone;
perfluorinated compound | NMR chemical shift reference compound |
alpha-fluoro-beta-alanine
alpha-fluoro-beta-alanine: metabolite of HCFU & 5-fluorouracil; structure in first source | 2.25 | 1 | 0 | organonitrogen compound;
organooxygen compound | |
sulfur hexafluoride
Sulfur Hexafluoride: Sulfur hexafluoride. An inert gas used mainly as a test gas in respiratory physiology. Other uses include its injection in vitreoretinal surgery to restore the vitreous chamber and as a tracer in monitoring the dispersion and deposition of air pollutants.. sulfur hexafluoride : A sulfur coordination entity consisting of six fluorine atoms attached to a central sulfur atom. It is the most potent greenhouse gas currently known, with a global warming potential of 23,900 times that of CO2 over a 100 year period (SF6 has an estimated lifetime in the atmosphere of between 800 and 3,000 years). | 2.06 | 1 | 0 | sulfur coordination entity | greenhouse gas;
NMR chemical shift reference compound;
ultrasound contrast agent |
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. | 2.04 | 1 | 0 | benzenes;
phenyl acetates | |
alkenes
[no description available] | 2.04 | 1 | 0 | | |
7-ethoxycoumarin
7-ethoxycoumarin : A member of the class of coumarins that is umbelliferone in which the hydroxy group at position 7 is replaced by an ethoxy group. | 2.25 | 1 | 0 | aromatic ether;
coumarins | |
perfluoroisobutylene
[no description available] | 3.53 | 2 | 0 | | |
voriconazole
Voriconazole: A triazole antifungal agent that specifically inhibits STEROL 14-ALPHA-DEMETHYLASE and CYTOCHROME P-450 CYP3A.. voriconazole : A triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by Scedosporium apiospermum and Fusarium spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4. | 2.25 | 1 | 0 | conazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug | P450 inhibitor |
neplanocin a
neplanocin A: neplanocins are antitumor antibiotics & carbocyclic analogs of purine nucleosides from Ampullarilla regularis A11079; see also neplanocin B, neplanocin C, neplanocin D & neplanocin F; structure in first source; a potent inhibitor of S-adenosylhomocysteine hydrolase | 2.25 | 1 | 0 | | |
fludioxonil
fludioxonil: structure in first source. fludioxonil : A member of the class of benzodioxoles that is 2,2-difluoro-1,3-benzodioxole substituted at position 4 by a 3-cyanopyrrol-4-yl group. A fungicide seed treatment for control of a range of diseases including Fusarium, Rhizoctonia and Alternaria. | 2.25 | 1 | 0 | benzodioxoles;
nitrile;
organofluorine compound;
pyrroles | androgen antagonist;
antifungal agrochemical;
estrogen receptor agonist |
2,6-diamino-9-(2-hydroxyethoxymethyl)purine
2,6-diamino-9-(2-hydroxyethoxymethyl)purine: adenosine deaminase converts above cpd to acylovir | 2.25 | 1 | 0 | | |
pa 824
pretomanid: nitroimidazopyran derived from 5-nitroimidazoles; a prodrug that requires activation by a bacterial F420-depedent glucose-6-phosphate dehydrogenase (Fgd) and nitroreductase to activate components that then inhibit bacterial mycolic acid and protein synthesis; structure in first source | 2.25 | 1 | 0 | | |
3,3,3-trifluoroalanine
3,3,3-trifluoroalanine: RN refers to (DL)-isomer; inhibits pyridoxal-5'-phosphate dependent cystathionine beta-lyase | 2.25 | 1 | 0 | | |
benzyloxycarbonyl-phe-ala-fluormethylketone
cathepsin B inhibitor : A cysteine protease inhibitor which inhibits cathepsin B (EC 3.4.22.1). | 2.25 | 1 | 0 | | |
fluticasone furoate
fluticasone furoate: a glucocorticoid; structure in first source. fluticasone furoate : A trifluorinated corticosteroid that consists of 6alpha,9-difluoro-11beta,17alpha-dihydroxy-17beta-{[(fluoromethyl)sulfanyl]carbonyl}-16-methyl-3-oxoandrosta-1,4-diene bearing a 2-furoyl substituent at position 17. Used in combination with vilanterol trifenate for treatment of bronchospasm associated with chronic obstructive pulmonary disease. | 2.25 | 1 | 0 | 11beta-hydroxy steroid;
2-furoate ester;
3-oxo-Delta(1),Delta(4)-steroid;
corticosteroid;
fluorinated steroid;
steroid ester;
thioester | anti-allergic agent;
anti-asthmatic drug;
prodrug |
10,10-bis((2-fluoro-4-pyridinyl)methyl)-9(10h)-anthracenone
DMP 543: neurotransmitter release enhancer; structure given in first source | 2.25 | 1 | 0 | anthracenes | |
anacetrapib
[no description available] | 2.25 | 1 | 0 | | |
lumacaftor
lumacaftor: a corrector of CF transmembrane conductance regulator (CTFR); structure in first source. lumacaftor : An aromatic amide obtained by formal condensation of the carboxy group of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid with the aromatic amino group of 3-(6-amino-3-methylpyridin-2-yl)benzoic acid. Used for the treatment of cystic fibrosis. | 2.25 | 1 | 0 | aromatic amide;
benzodioxoles;
benzoic acids;
cyclopropanes;
organofluorine compound;
pyridines | CFTR potentiator;
orphan drug |