An oxoacid containing a single carboxy group.
Member | Definition | Role |
(1-hydroxycyclopentyl)phenylacetic acid | (1-hydroxycyclopentyl)acetic acid in which one of the hydrogens alpha to the carboxylic acid group is substituted by a phenyl group. | (1-hydroxycyclopentyl)phenylacetic acid |
(4-tert-Butyl-phenoxy)-acetic acid | | (4-tert-Butyl-phenoxy)-acetic acid |
1-aminocyclopropane-1-carboxylic acid | A non-proteinogenic alpha-amino acid consisting of cyclopropane having amino and carboxy substituents both at the 1-position. | 1-aminocyclopropanecarboxylic acid zwitterion; 1-aminocyclopropanecarboxylic acid |
1-phenazinecarboxylic acid | An aromatic carboxylic acid that is phenazine substituted at C-1 with a carboxy group. | phenazine-1-carboxylic acid |
13,14-dihydroretinoic acid | | all-trans-13,14-dihydroretinoic acid |
16,16-dimethylprostaglandin e2 | A prostanoid that is prostaglandin E2 in which both of the hydrogens at position 16 have been replaced by methyl groups. A synthetic analogue of prostaglandin E2, it is a potent inhibitor of pancreatic function and growth of experimental tumors. It also protects the gastric mucosa, prevents ulceration, and promotes the healing of peptic ulcers. | 16,16-dimethylprostaglandin E2 |
2-(2-cyanophenoxy)acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester | | 2-(2-cyanophenoxy)acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester |
2-(3-pyridine)acetic acid | A monocarboxylic acid that is acetic acid substituted by a (pyridin-3-yl) group. It is a metabolite of nicotine and other tobacco alkaloids. | 3-pyridylacetic acid |
2-(4-(2-carboxyethyl)phenethylamino)-5'-n-ethylcarboxamidoadenosine | A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and the hydrogen at position 2 on the adenine is replaced by a 4-(2-carboxyethyl)phenethylamino group. | CGS-21680 |
2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid | An aromatic ether that is 2-(4-hydroxyphenoxy)propanoic acid in which the hydrogen of the hydroxy group at position 4 has been substituted by a 2,4-dichlorophenyl group. | 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid |
2-(4-bromophenoxy)acetic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester | | 2-(4-bromophenoxy)acetic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester |
2-(4-chlorophenoxy)propionic acid | | CPP |
2-(4-ethylphenoxy)acetic acid (4-nitrophenyl) ester | | 2-(4-ethylphenoxy)acetic acid (4-nitrophenyl) ester |
2-(4-formylphenoxy)acetic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester | | 2-(4-formylphenoxy)acetic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester |
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid | | 2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid |
2-[2-chloro-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl ester | | 2-[2-chloro-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl ester |
2-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-2-methoxyphenoxy]acetic acid | | 2-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-2-methoxyphenoxy]acetic acid |
2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetic acid methyl ester | | 2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetic acid methyl ester |
2-[4-[2-(1-cyclohexenyl)ethylsulfamoyl]-2-methylphenoxy]acetic acid methyl ester | | 2-[4-[2-(1-cyclohexenyl)ethylsulfamoyl]-2-methylphenoxy]acetic acid methyl ester |
2-[4-chloro-2-[3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid methyl ester | | 2-[4-chloro-2-[3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid methyl ester |
2-methyl-4-chlorophenoxy gamma-butyric acid | A monocarboxylic acid that is butyric acid substituted by a 2-methyl-4-chlorophenoxy group at position 4. | 2-methyl-4-chlorophenoxybutyric acid |
2-methylvaleric acid | A methyl-branched fatty acid that is pentanoic acid which carries a methyl group at position 2. | 2-methylvaleric acid |
2-oxindole-3-acetic acid | A member of the class of oxindoles that is 2-oxindole carrying a carboxymethyl substituent at position 3. | 2-oxindole-3-acetic acid |
2-phenylbutyric acid | A monocarboxylic acid that is butyric acid substituted by a phenyl group at position 2. | 2-phenylbutyric acid |
2,6-dichloroisonicotinic acid | A member of the class of pyridines that is isonicotinic acid which is substituted by chlorine at positions 2 and 6. | 2,6-dichloroisonicotinic acid |
2'-(2-hydroxyphenyl)-2'-thiazoline-4'-carboxylic acid | A monocarboxylic acid consisting of 2-(2-hydroxyphenyl)-4,5-dihydrothiazole having a carboxy group at the 4-position. | 2-(2-hydroxyphenyl)-4,5-dihydrothiazole-4-carboxylic acid |
3-(3,4-dimethoxyphenyl)propanoic acid | A monocarboxylic acid that is propanoic acid substituted by a 3,4-dimethoxyphenyl group at position 3. | 3-(3,4-dimethoxyphenyl)propanoic acid |
3-(4'-hydroxyl-3',5'-dimethoxyphenyl)propionic acid | | Dihydrosinapic acid |
3-(trimethylsilyl)propionic acid | An organosilicon compound that is propionic acid substituted at position 3 by a trimethylsilyl group. It is used as internal reference in the NMR spectrum nuclear magnetic resonance for aqueous solvents (e.g. D2O). | 3-(trimethylsilyl)propionic acid |
3-aminobutyric acid | A beta-amino acid that is butyric acid which is substituted by an amino group at position 3. | 3-aminobutanoic acid zwitterion; 3-aminobutanoic acid |
3-bromotyrosine | | 3-Bromo-tyrosine |
3-hydroxy-5-cholestenoic acid | A steroid acid resulting from the oxidation of one of the terminal methyl groups of cholesterol to the corresponding aldehyde. | 3beta-hydroxycholest-5-en-26-oic acid |
3-Hydroxy-alpha-methyl-DL-tyrosine | | 3-Hydroxy-alpha-methyl-DL-tyrosine |
3-hydroxybenzeneacetic acid | A monocarboxylic acid that is phenylacetic acid in which the hydrogen at position 3 on the benzene ring is replaced by a hydroxy group. | 3-hydroxyphenylacetic acid |
3-hydroxypicolinic acid | A monohydroxypyridine that is picolinic acid in which the hydrogen at position 3 is replaced by a hydroxy group. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of oligonucleotides. | 3-hydroxypicolinic acid |
3-methoxyphenylacetic acid | | 3-Methoxyphenylacetic acid |
3-phenyl-3-(1-tetrazolyl)propanoic acid | | 3-phenyl-3-(1-tetrazolyl)propanoic acid |
3-phenylbutyric acid | A monocarboxylic acid that is butanoic acid substituted by a phenyl group at position 3. | 3-phenylbutyric acid |
3-phenylpropionic acid | A monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group. | 3-phenylpropionic acid |
3-sulfinopropionic acid | A monocarboxylic acid that is propionic acid in which one of the methyl hydrogens is replaced by a sulfino group. | 3-sulfinopropionic acid |
3,5-dibromotyrosine | | 3,5-Dibromo-tyrosine |
3,5-dihydroxyphenylpropionic acid | | 3-(3,5-dihydroxyphenyl)propionic acid |
3,5-diiodothyropropionic acid | A monocarboxylic acid that is (4-hydroxy-3,5-diiodophenyl)propanoic acid in which the phenolic hydroxy group has been replaced by a 4-hydroxyphenyl group. An ionotropic analogue of L-thyroxine. | 3,5-diiodothyropropionic acid |
3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid | A steroid acid that is ergosta-8,24(28)-dien-26-oic acid substituted by a hydroxy group at position 3, a methyl group at position 4 and oxo groups at positions 7 and 11 (the 3alpha,4alpha,5alpha stereoisomer). Isolated from Antrodia cinnamomea and Antrodia camphorata, it exhibits cytotoxic, anticholinergic and antiserotonergic activities. | zhankuic acid B |
3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid | A steroid acid that is ergosta-8,24(28)-dien-26-oic acid substituted by hydroxy groups at positions 3 and 12, a methyl group at position 4 and oxo groups at positions 7 and 11 (the 3alpha,4alpha,5alpha,12alpha stereoisomer). Isolated from Antrodia cinnamomea and Antrodia camphorata, it exhibits antineoplastic activity. | zhankuic acid C |
4-(2-thienyl)butyric acid | A monocarboxylic acid that is butyric acid bearing a 2-thienyl group at position 4. | 4-(2-thienyl)butyric acid |
4-(2,4-dichlorophenoxy)butyric acid | A monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 is replaced by a 2,4-dichlorophenoxy group. A selective post-emergence herbicide. | 2,4-DB |
4-biphenylylacetic acid | A monocarboxylic acid in which one of the alpha-hydrogens is substituted by a biphenyl-4-yl group. An active metabolite of fenbufen, it is used as a topical medicine to treat muscle inflammation and arthritis. | biphenyl-4-ylacetic acid |
4-carboxybenzaladehyde | A member of the class of benzoic acids that is benzoic acid substituted by a formyl group at position 4. | 4-formylbenzoic acid |
4-carboxyfluorescein | | 5-carboxyfluorescein |
4-chlorophenylacetic acid | A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 4-chlorophenyl group. | 4-chlorophenylacetic acid |
4-hydroxyphenoxyacetic acid | | 4-Hydroxypheoxyacetate |
4-hydroxyphenylacetic acid | A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group. | 4-hydroxyphenylacetic acid |
4-methylene-2-octyl-5-oxo-3-oxolanecarboxylic acid | A tetrahydrofuranone that is tetrahydrofuran substituted by octyl, carboxy, methylidene, and oxo groups at positions 2, 3, 4 and 5, respectively. | 4-methylene-2-octyl-5-oxo-3-oxolanecarboxylic acid; 4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid |
4-oxo-4-(3-pyridyl)butanoic acid | A monocarboxylic acid that is succinic acid in which the hydroxy group of one of the carboxy groups is replaced by a pyridin-3-yl group. A byproduct of tobacco-specific N-nitrosamines generated by cytochrome P-450 which catalyzes methylnitrosaminopyridylbutanone hydroxylation, this nicotine metabolite is commonly found in the urine of smokers. | 4-oxo-4-(pyridin-3-yl)butanoic acid |
4-phenylbutyric acid | A monocarboxylic acid the structure of which is that of butyric acid substituted with a phenyl group at C-4. It is a histone deacetylase inhibitor that displays anticancer activity. It inhibits cell proliferation, invasion and migration and induces apoptosis in glioma cells. It also inhibits protein isoprenylation, depletes plasma glutamine, increases production of foetal haemoglobin through transcriptional activation of the gamma-globin gene and affects hPPARgamma activation. | 4-phenylbutyric acid |
4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid | An aminopyridine that is pyridin-4-amine substituted by chloro groups at positions 3 and 5, a fluoro group at position 6 and a carboxymethoxy group at position 2. | fluroxypyr |
4'-hydroxydiclofenac | A monocarboxylic acid that is the 4'-hydroxylated metabolite of diclofenac. | 4'-hydroxydiclofenac |
4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid | A steroid acid that is ergosta-8,24(28)-dien-26-oic acid substituted by a methyl group at position 4 and oxo groups at positions 3, 7 and 11 (the 4alpha,5alpha stereoisomer). Isolated from Antrodia cinnamomea and Antrodia camphorata, it exhibits cytotoxic and anti-inflammatory activity. | zhankuic acid A |
5-[4-(2-furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid | | 5-[4-(2-furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid |
5-hydroxydiclofenac | A monocarboxylic acid that is the 5-hydroxylated metabolite of diclofenac. | 5-hydroxydiclofenac |
5-imidazolepropionic acid | A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 3 has been replaced by an imidazol-4-yl group. | dihydrourocanic acid |
5-methylpyrazole-3-carboxylic acid | A memebr of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 5 and 3 respectively. | 5-methyl-pyrazole-3-carboxylic acid |
5-phenylvaleric acid | A monocarboxylic acid that is valeric acid substituted by a phenyl group at the delta-position. | 5-phenylpentanoic acid |
5,6-dihydroorotate | A pyrimidinemonocarboxylic acid that results from the base-catalysed cyclisation of N(alpha)-carbethoxyasparagine. | dihydroorotic acid |
6-carboxyfluorescein | | 6-carboxyfluorescein |
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid | A chromanol that is 6-hydroxychromane which is substituted by a carboxy group at position 2 and by methyl groups at positions 2, 5, 7, and 8. A cell-permeable, water-soluble analogue of vitamin E, it is used as a standard for measuring the antioxidant capacity of complex mixtures. | Trolox |
6-methoxy-2-naphthylacetic acid | A monocarboxylic acid consisting of 2-naphthylacetic acid having a methoxy substituent at the 6-position. The active metabolite of the prodrug nabumetone. | (6-methoxy-2-naphthyl)acetic acid |
6-oxopiperidine-2-carboxylate | A delta-lactam that is piperidine-2-carboxylic acid substituted at position 6 by an oxo group. | 6-ketopiperidine-2-carboxylic acid |
7-aminodesacetoxycephalosporanic acid | A cephem monocarboxylic acid derivative having a structure based on cephalosporanic acid, deacetoxylated and carrying a 7beta-amino group. | 7beta-aminodeacetoxycephalosporanic acid |
7-methoxycoumarin-4-acetic acid | | 7-methoxycoumarin-4-acetic acid |
9-mercaptodethiobiotin | A member of the class of imidazolidinones that is dethiobiotin carrying a mercapto substituent at position 9. An intermediate in the biosynthesis of biotin. | 9-mercaptodethiobiotin |
abietic acid | An abietane diterpenoid that is abieta-7,13-diene substituted by a carboxy group at position 18. | abietic acid |
aceclofenac | A monocarboxylic acid that is the carboxymethyl ester of diclofenac. A non-steroidal anti-inflammatory drug related to diclofenac, it is used in the management of osteoarthritis, rheumatoid arthritis, and ankylosing spondylitis. | aceclofenac |
acemetacin | A carboxylic ester that is the carboxymethyl ester of indometacin. A non-steroidal anti-inflammatory drug, it is used in the treatment of rheumatoid arthritis, osteoarthritis, and low back pain, as well as for postoperative pain and inflammation. Its activity is due to both acemetacin and its major metabolite, indometacin. | acemetacin |
acetic acid | A simple monocarboxylic acid containing two carbons. | acetic acid |
acetyl aleuritolic acid | A pentacyclic triterpenoid isolated from the leaves of Garcia parviflora. | acetyl aleuritolic acid |
acifluorfen | A member of the class of benzoic acids that is 2-nitrobenzoic acid in which the hydrogen at position 5 is replaced by a 2-chloro-4-(trifluoromethyl)phenoxy group. It is a herbicide used for the post-emergence control of a variety of annual broadleaf weeds. | acifluorfen |
adapalene | A naphthoic acid that is CD437 in which the phenolic hydroxy group has been converted to its methyl ether. | adapalene |
agn 190299 | A thiochromane that is acetylene in which the hydrogens are replaced by 5-carboxypyridin-2-yl and 4,4-dimethylthiochroman-6-yl groups. It is the active form of the prodrug tazarotene. | tazarotenic acid |
alborixin | A polyether antibiotic that is isolated from cultures of a strain of Streptomyces albus. | alborixin |
alclofenac | An aromatic ether in which the ether oxygen links an allyl group to the 4-position of (3-chlorophenyl)acetic acid.A non-steroidal anti-inflammatory drug, it was withdrawn from the UK market in 1979 due to concerns with its association with vasculitis and rash. | alclofenac |
alminoprofen | A substituted aniline that is ibuprofen in which the isobutyl group is replaced by a (2-methylprop-2-en-1-yl)amino group. A non-steroidal anti-inflammatory drug, it is used for treatment of inflammatory and rheumatic disorders. | alminoprofen |
alpha-methyl-m-tyrosine | | alpha-Methyl-m-tyrosine |
alpha-methylphenylalanine | | alpha-Methylphenylalanine |
amibegron | | Amibegron |
aminooxyacetic acid | A member of the class of hydroxylamines that is acetic acid substituted at postion 2 by an aminooxy group. It is a compound which inhibits aminobutyrate aminotransferase activity in vivo, resulting in increased levels of gamma-aminobutyric acid in tissues. | (aminooxy)acetic acid |
amlexanox | A pyridochromene-derived monocarboxylic acid having an amino substituent at the 2-position, an oxo substituent at the 5-position and an isopropyl substituent at the 7-position. | amlexanox |
amprotropine | | Amprotropine |
aristolochic acid c | An aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions, by an hydroxy group at position 6, and by a nitro group at position 10. | aristolochic acid C |
aristolochic acid D | An aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions, by an hydroxy group at position 6, by a methoxy group at position 8, and by a nitro group at position 10. | aristolochic acid D |
aristolochic acid i | An aristolochic acid that is phenanthrene-1-carboxylic acid that is substituted by a methylenedioxy group at the 3,4 positions, by a methoxy group at position 8, and by a nitro group at position 10. It is the most abundant of the aristolochic acids and is found in almost all Aristolochia (birthworts or pipevines) species. It has been tried in a number of treatments for inflammatory disorders, mainly in Chinese and folk medicine. However, there is concern over their use as aristolochic acid is both carcinogenic and nephrotoxic. | aristolochic acid A |
aristolochic acid ii | An aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions and by a nitro group at position 10. | aristolochic acid B |
artemisic acid | A monocarboxylic acid that is prop-2-enoic acid which is substituted at position 2 by a 4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl group (the 1S,4R,4aS,8aR diastereoisomer). It is a sesquiterpenoid precursor of artemisinin, obtained from sweet wormwood, Artemisia annua. | (+)-artemisinic acid |
ascr#5 | An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 3-hydroxypropanoic acid with ascarylopyranose (the alpha anomer). A major component of the dauer pheromone of the nematode Caenorhabditis elegans, it synergises with ascr#2 and ascr#3 as a population-density signal to promote entry into an alternate larval stage, the nonfeeding and highly persistent dauer diapause. | ascr#5 |
asiatic acid | A pentacyclic triterpenoid that is ursane substituted by a carboxy group at position 28 and hydroxy groups at positions 2, 3 and 23 (the 2alpha,3beta stereoisomer). It is isolated from Symplocos lancifolia and Vateria indica and exhibits anti-angiogenic activity. | asiatic acid |
baclofen | A monocarboxylic acid that is butanoic acid substituted by an amino group at position 4 and a 4-chlorophenyl group at position 3. It acts as a central nervous system depressant, GABA agonist and muscle relaxant. | baclofen zwitterion; baclofen |
bendazac | A monocarboxylic acid that is glycolic acid in which the hydrogen attached to the 2-hydroxy group is replaced by a 1-benzyl-1H-indazol-3-yl group. Although it has anti-inflammatory, antinecrotic, choleretic and antilipidaemic properties and has been used for the treatment of various inflammatory skin disorders, its principal effect is to inhibit the denaturation of proteins. Its lysine salt is used in the management of cataracts. | bendazac |
benoxaprofen | A monocarboxylic acid that is propionic acid substituted at position 2 by a 2-(4-chlorophenyl)-1,3-benzoxazol-5-yl group. It was used as a non-steroidal anti-inflammatory drug until 1982 when it was withdrawn from the market due to adverse side-effects including liver necrosis, photosensitivity, and carcinogenicity in animals. | benoxaprofen |
beraprost | An organic heterotricyclic compound that is (3aS,8bS)-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan in which the hydrogens at positions 1R, 2R and 5 are replaced by (3S)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl, hydroxy and 3-carboxypropyl groups, respectively. It is a prostaglandin receptor agonist which is approved to treat pulmonary arterial hypertension in Asia. | beraprost |
beta-hydroxyphenylpropionic acid | A 3-hydroxy carboxylic acid that is 3-phenylpropionic acid in which one of the hydrogens beta to the carboxy group is replaced by a hydroxy group. | 3-hydroxy-3-phenylpropionic acid |
bevirimat | A pentacyclic triterpenoid obtained by the formal condensation of 2,2-dimethylsuccinic acid with the 3-hydroxy group of betulinic acid. It is isolated from the Chinese herb Syzygium claviflorum. The first in the class of HIV-1 maturation inhibitors to be studied in humans, bevirimat was identified as a potent HIV drug candidate and several clinical trials were conducted, but development into a new drug was plagued by numerous resistance-related problems. | bevirimat |
bezafibrate | A monocarboxylic acid amide obtained by the formal condensation of the carboxy group of 4-chlorobenzoic acid with the amino group of 2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoic acid. Benafibrate is used for the treatment of hyperlipidaemia. | bezafibrate |
binifibrate | | binifibrate |
bis(p-chlorophenyl)acetic acid | A organochlorine compound comprising acetic acid having two 4-chlorophenyl substituents attached at the 2-position. | bis(4-chlorophenyl)acetic acid |
bispyribac | A member of the class of benzoic acids that is benzoic acid substituted by (4,6-dimethoxypyrimidin-2-yl)oxy groups at positions 2 and 6. Its sodium salt is used as a broad spectrum post emergent herbicide for the control of grasses, sedges and broadleaf weeds in rice crops. | bispyribac |
borrelidin | A macrolide that is isolated from several Streptomyces species and displays antibiotic, antineoplastic and antimalarial properties. | borrelidin |
brequinar | A quinolinemonocarboxylic acid that is quinoline substituted by 2'-fluoro[1,1'-biphenyl]-4-yl, methyl, carboxy and fluoro groups at positions 2, 3, 4, and 6, respectively. It is an inhibitor of dihydroorotate dehydrogenase, an enzyme that is required for de novo pyrimidine biosynthesis. The compound exhibits antineoplastic and antiviral properties. | brequinar |
brl 37344 | | 2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid |
bromochloroacetic acid | A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by bromine while a second is replaced by chlorine. A low-melting (27.5-31.5degreeC), hygroscopic crystalline solid, it can be formed during the disinfection (by chlorination) of water that contains bromide ions and organic matter, so can occur in drinking water as a byproduct of the disinfection process. | bromochloroacetic acid |
bumadizone | A carbohydrazide obtained by formal condensation of one of the carboxy groups from butylmalonic acid with the hydrazino group of 1,2-diphenylhydrazine. Used (as its calcium semihydrate) for treatment of rheumatoid arthritis. | bumadizone |
butyl(3-carboxypropyl)nitrosamine | A nitrosamine that has butyl and 4-carboxybutyl substituents. It is the principal metabolite of the bladder carcinogen N-butyl-N-(4-hydroxybutyl)nitrosamine (BHBN-4). | N-butyl-N-(3-carboxypropyl)nitrosamine |
bw 245c | A imidazolidine-2,4-dione that is 7-(2,5-dioxoimidazolidin-4-yl)heptanoic acid in which the imidazoline ring as substituted at position 3 by a 3-(3-cyclohexyl-3-hydroxypropyl) group. | 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid |
canrenoic acid | | canrenoic acid |
carbazic acid | | carbazic acid |
carbidopa | | 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid |
carbidopa | 3-(3,4-Dihydroxyphenyl)propanoic acid in which the hydrogens alpha- to the carboxyl group are substituted by hydrazinyl and methyl groups (S-configuration). Carbidopa is a dopa decarboxylase inhibitor, so prevents conversion of levodopa to dopamine. It has no antiparkinson activity by itself, but is used (commonly as its hydrate) in the management of Parkinson's disease to reduce peripheral adverse effects of levodopa. | carbidopa (anhydrous) |
carbidopa | The hydrate of 3-(3,4-dihydroxyphenyl)propanoic acid in which the hydrogens alpha- to the carboxyl group are substituted by hydrazinyl and methyl groups (S-configuration). Carbidopa is a dopa decarboxylase inhibitor, so prevents conversion of levodopa to dopamine. It has no antiparkinson activity by itself, but is used in the management of Parkinson's disease to reduce peripheral adverse effects of levodopa. | carbidopa |
carmine | A tetrahydroxyanthraquinone that is that is 1,3,4,6-tetrahydroxy-9,10-anthraquinone substituted by a methyl group at position 8, a carboxy group at position 7 and a 1,5-anhydro-D-glucitol moiety at position 2 via a C-glycosidic linkage. It is a natural dye isolated from several insects such as Dactylopius coccus. | carminic acid |
cathestatin b | A carboxamide obtained by the formal condensation of the carboxylic group of oxirane-2,3-dicarboxylic acid with the amino group of N-(4-aminobutyl)-L-tyrosinamide (the 2S,3S stereoisomer). An antibiotic isolated from the fermentation broth of Penicillium citrinum, it acts as a potent inhibitor of cysteine protease. | cathestatin B |
cd 437 | A naphthoic acid that is 6-phenylnaphthylene-2-carboxyic acid in which the phenyl substituent has been substituted at positions 3 and 4 by adamant-1-yl and hydroxy groups, respectively. It acts as a selective agonist of retinoic acid receptor (RAR)gamma and induces cell cycle arrest and apoptosis in various cancer cells. | CD437 |
celastrol | A pentacyclic triterpenoid that is 24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid bearing an oxo substituent at position 2, a hydroxy substituent at position 3 and two methyl groups at positions 9 and 13. An antioxidant and anti-inflammatory agent. Potently inhibits lipid peroxidation in mitochondria and inhibits TNF-alpha-induced NFkappaB activation. Also shown to inhibit topoisomerase II activity in vitro (IC50 = 7.41 muM). | celastrol |
cetirizine | A member of the class of piperazines that is piperazine in which the hydrogens attached to nitrogen are replaced by a (4-chlorophenyl)(phenyl)methyl and a 2-(carboxymethoxy)ethyl group respectively. | cetirizine |
cetraxate | | 3-[4-[[4-(aminomethyl)cyclohexyl]-oxomethoxy]phenyl]propanoic acid |
chlorambucil | A monocarboxylic acid that is butanoic acid substituted at position 4 by a 4-[bis(2-chloroethyl)amino]phenyl group. A chemotherapy drug that can be used in combination with the antibody obinutuzumab for the treatment of chronic lymphocytic leukemia. | chlorambucil |
chrysanthemic acid | A monocarboxylic acid that is cyclopropanecarboxylic acid substituted by two methyl groups at position 2 and a 2-methylprop-1-en-1-yl group at position 3. | chrysanthemic acid |
chrysobactin | A catechol-type siderophore with a structure of D-lysyl-L-serine substituted on N(2) of the lysyl residue by a 2,3-dihydroxybenzoyl group. It is produced by the Gram-negative bacillus Dickeya dadantii (previously known as Erwinia chrysanthem). Only the catecholate hydroxyl groups participate in metal coordination, so chrysobactin cannot provide full 1:1 coordination of Fe(III); at neutral pH and concentrations of about 0.1 mM, ferric chrysobactin exists as a mixture of bis and tris complexes. | chrysobactin |
chuangxinmycin | A thiinoindole that is 3,5-dihydro-2H-thiino[4,3,2-cd]indole which is substituted at positions 2 and 3 by carboxy and methyl groups, respectively (the 2R,3S diastereoisomer). | (-)-chuangxinmycin |
ciprofibrate | | ciprofibrate |
clodinafop | An aromatic ether that is (R)-lactic acid in which the hydroxy group at position 2 has been converted to the corresponding p-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenyl ether. It is the parent acid of the herbicide clodinafop-propargyl. | clodinafop |
clofibric acid | A monocarboxylic acid that is isobutyric acid substituted at position 2 by a p-chlorophenoxy group. It is a metabolite of the drug clofibrate. | clofibric acid |
clofibride | | clofibride |
clopidogrel carboxylic acid | A thienopyridine that is 6,7-dihydrothieno[3,2-c]pyridin-5(4H)-ylacetic acid substituted by a 2-chlorophenyl group at position 2. It is a metabolite of the drug clopidogrel. | clopidogrel carboxylic acid |
cox 189 | An amino acid that is phenylacetic acid which is substituted at position 2 by the nitrogen of 2-chloro-6-fluoroaniline and at position 5 by a methyl group. A highly selective cyclooxygenase 2 inhibitor, it was briefly used for the treatment of osteoarthritis, but was withdrawn due to concersns of hepatotoxicity. | lumiracoxib |
cp533536 | | evatanepag |
cyanoacetic acid | A monocarboxylic acid that consists of acetic acid bearing a cyano substituent. | cyanoacetic acid |
cyclohexaneacetic acid | A monocarboxylic acid consisting of cyclohexane carrying a carboxymethyl substituent. | cyclohexylacetic acid |
cyclohexanecarboxylic acid | A monocarboxylic acid that consists of cyclohexane substituted by a carboxy group. | cyclohexanecarboxylic acid |
cyclopropanecarboxylic acid | | cyclopropanecarboxylic acid |
deferasirox | A member of the class of triazoles, deferasirox is 1,2,4-triazole substituted by a 4-carboxyphenyl group at position 1 and by 2-hydroxyphenyl groups at positions 3 and 5. An orally active iron chelator, it is used to manage chronic iron overload in patients receiving long-term blood transfusions. | deferasirox |
dehydroabietic acid | An abietane diterpenoid that is abieta-8,11,13-triene substituted at position 18 by a carboxy group. | dehydroabietic acid |
delta-1-piperidine-6-carboxylic acid | A tetrahydropyridine that is 2,3,4,5-tetrahydropyridine having a carboxy group at the 2-position. | 1-piperideine-6-carboxylic acid |
dexketoprofen | A monocarboxylic acid that is (S)-hydratropic acid substituted at position 3 on the phenyl ring by a benzoyl group. A cyclooxygenase inhibitor, it is used to relieve short-term pain, such as muscular pain, dental pain and dysmenorrhoea. | dexketoprofen |
dibromoacetic acid | A monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are replaced by bromo groups. | dibromoacetic acid |
dichloroacetic acid | An organochlorine compound comprising acetic acid carrying two chloro substituents at the 2-position. It occurs in nature in seaweed, Asparagopsis taxiformis. | dichloroacetic acid |
dichlorprop | An aromatic ether that is 2-hydroxypropanoic acid in which the hydroxy group at position 2 has been converted to its 2,4-dichlorophenyl ether. | 2-(2,4-dichlorophenoxy)propanoic acid |
diclofenac | A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position. | diclofenac |
difloxacin | A quinolone that is pefloxacin in which the ethyl group at position 1 of the quinolone has been replaced by a p-fluorophenyl group. A broad-spectrum antibiotic effective against both Gram-positive and Gram-negative bacteria, it is used (usually as the monohydrochloride salt) for the treatment of bacterial infections in dogs. | difloxacin |
difluoroacetic acid | A monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are substituted by fluorines. | difluoroacetic acid |
dihydro-3-coumaric acid | A monocarboxylic acid that is propionic acid carrying a 3-hydroxyphenyl substituent at C-3. | 3-(3-hydroxyphenyl)propanoic acid |
dihydroartemisinic acid | A monocarboxylic acid that is propanoic acid substituted at position 2 by a (1S,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl group. It is a sesquiterpenoid precursor of the antimalarial drug, artemisinin. | dihydroartemisinic acid |
dihydroferulic acid | A monocarboxylic acid that is propanoic acid in which one of the hydrogens at position 3 has been replaced by a 4-hydroxy-3-methoxyphenyl group. | dihydroferulic acid |
dinoprost | A prostaglandins Falpha that is prosta-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15. It is a naturally occurring prostaglandin used to induce labor. | prostaglandin F2alpha |
diphenylacetic acid | A monocarboxylic acid that is acetic acid where the methyl hydrogens have been replaced by two phenyl groups respectively. | diphenylacetic acid |
ectoine | A carboxamidine heterocycle obtained by formal condensation of (2S)-2,4-diaminobutanoic acid with acetic acid. | ectoine zwitterion; ectoine |
endocrocin | A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by a carboxy group at position 2, a methyl group at position 3, and hydroxy groups at positions 1, 6, and 8. | endocrocin |
enoxacin | A 1,8-naphthyridine derivative that is 1,4-dihydro-1,8-naphthyridine with an ethyl group at the 1 position, a carboxy group at the 3-position, an oxo sustituent at the 4-position, a fluoro substituent at the 5-position and a piperazin-1-yl group at the 7 position. An antibacterial, it is used in the treatment of urinary-tract infections and gonorrhoea. | enoxacin |
enrasentan | A member of the class of indanes that is 2,3-dihydro-1H-indene which is substituted by a 1,3-benzodioxol-5-yl group, carboxy group, 2-(2-hydroxyethoxy)-4-methoxyphenyl group and a propoxy group at positions 1S, 2R, 3S and 5, respectively. It is an orally active mixed endothelin A/B receptor antagonist with a 100-fold greater affinity for the endothelin A receptor. The drug was being developed by GSK for the treatment of congestive heart failure and pulmonary hypertension (clinical trials discontinued). | enrasentan |
epalrestat | A monocarboxylic acid that is 1,3-thiazolidine which is substituted on the nitrogen by a carboxymethyl group, at positions 2 and 4 by thioxo and oxo groups, respectively, and at position 5 by a 2-methyl-3-phenylprop-2-en-1-ylidene group. It is an inhibitor of aldose reductase (which catalyses the conversion of glucose to sorbitol) and is used for the treatment of some diabetic complications, including neuropathy. | epalrestat |
ethacrynic acid | An aromatic ether that is phenoxyacetic acid in which the phenyl ring is substituted by chlorines at positions 2 and 3, and by a 2-methylidenebutanoyl group at position 4. It is a loop diuretic used to treat high blood pressure resulting from diseases such as congestive heart failure, liver failure, and kidney failure. It is also a glutathione S-transferase (EC 2.5.1.18) inhibitor. | etacrynic acid |
etodolac | A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl moiety. A preferential inhibitor of cyclo-oxygenase 2 and non-steroidal anti-inflammatory, it is used for the treatment of rheumatoid arthritis and osteoarthritis, and for the alleviation of postoperative pain. Administered as the racemate, only the (S)-enantiomer is active. | etodolac |
etofibrate | | etofibrate |
fenofibric acid | A monocarboxylic acid that is 2-methylpropanoic acid substituted by a 4-(4-chlorobenzoyl)phenoxy group at position 2. It is a metabolite of the drug fenofibrate. | fenofibric acid |
fenoprofen | A monocarboxylic acid that is propanoic acid in which one of the hydrogens at position 2 is substituted by a 3-phenoxyphenyl group. A non-steroidal anti-inflammatory drug, the dihydrate form of the calcium salt is used for the management of mild to moderate pain and for the relief of pain and inflammation associated with disorders such as arthritis. It is pharmacologically similar to aspirin, but causes less gastrointestinal bleeding. | fenoprofen |
fenoprop | | Fenoprop |
finafloxacin | A quinolone that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted at positions 1, 6, 7 and 8 by cyclopropyl, fluoro, hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl and cyano groups respectively; an antibiotic used for treatment of acute otitis externa (swimmer's ear) caused by the bacteria Pseudomonas aeruginosa and Staphylococcus aureus. | finafloxacin |
fleroxacin | A fluoroquinolone antibiotic that is 4-oxo-1,4-dihydroquinoline which is substituted at positions 1, 3, 6, 7 and 8 by 2-fluoroethyl, carboxy, fluoro, 4-methylpiperazin-1-yl and fluoro groups, respectively. It is active against many Gram-positive and Gram-negative bacteria. | fleroxacin |
fluazifop | A monocarboxylic acid that is propanoic acid substituted by a 4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy group at position 2. | 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid |
flunoxaprofen | A monocarboxylic acid that is propionic acid substituted at position 2 by a 2-(4-chlorophenyl)-1,3-benzoxazol-5-yl group (the S-enantiomer). Although it was shown to be effective in treatment of rheumatoid arthritis and osteoarthritis, the clinical use of flunoxaprofen was discontinued due to possible hepatotoxic side-effects. | flunoxaprofen |
flurbiprofen | A monocarboxylic acid that is a 2-fluoro-[1,1'-biphenyl-4-yl] moiety linked to C-2 of propionic acid. A non-steroidal anti-inflammatory, analgesic and antipyretic, it is used as a pre-operative anti-miotic as well as orally for arthritis or dental pain. | flurbiprofen |
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. | formic acid |
fradafiban | A pyrrolidinone that is pyrrolidin-2-one which is substituted at positions 3 and 5 by carboxymethyl and hydroxymethyl groups, respectively, and in which the hydrogen of the resulting alcoholic hydroxy group is replaced by a 4'-carbamimidoylbiphenyl-4-yl group (the S,S-diastereoisomer). A figrinogen receptor antagonist. | fradafiban |
fukiic acid | | Fukiic acid |
fumimycin | A member of the class of 1-benzofurans that is 1-benzofuran-2(3H)-one substituted by a propenyl group at position 4, hydroxy groups at positions 5 and 6, methyl group at position 3 and a [(2E)-3-carboxyprop-2-enoyl]nitrilo group at position 3. Isolated from the fermentation broth of Aspergillus fumisynnematus F746, it exhibits antibacterial activity. | fumimycin |
gamma-aminobutyric acid | A gamma-amino acid that is butanoic acid with the amino substituent located at C-4. | gamma-aminobutyric acid zwitterion; gamma-aminobutyric acid |
gamma-guanidinobutyric acid | A monocarboxylic acid that is butanoic acid substituted by a guanidino group at position 4. | 4-guanidinobutanoic acid zwitterion; 4-guanidinobutanoic acid; 4-guanidinobutyric acid |
gemifloxacin | A 1,4-dihydro-1,8-naphthyridine with a carboxy group at the 3-position, an oxo sustituent at the 4-position, a fluoro substituent at the 5-position and a substituted pyrrolin-1-yl group at the 7-position. | gemifloxacin |
germacra-1(10),4,11(13)-trien-12-oic acid | A germacrane sesquiterpenoid derived from germacrane by dehydrogenation between the 1-10, 4-5, and 11-13 positions, and by oxidation of the methyl group at position 12 to the corresponding carboxylic acid. | germacra-1(10),4,11(13)-trien-12-oic acid |
glucoheptonate | A carbohydrate acid that is heptanoic acid substituted by hydroxy groups at C-2, C-3, C-4, C-5, C-6, and C-7. | glucoheptonic acid |
gr 117289 | A member of the class of 1-benzofurans that is 3-bromo-1-benzofuran which is substituted by a 2-(1H-tetrazol-5-yl)phenyl group at position 2 and by a (2-butyl-5-carboxy-4-chloro-1H-imidazol-1-yl)methyl group at position 5. It is an angiotensin II receptor type 1 (AT1) antagonist and was in clinical trials for the treatment of hypertension (now discontinued). | zolasartan |
gsk2879552 | A member of the class of piperidines that is piperidine substituted by (4-carboxyphenyl)methyl and {[(1R,2S)-2-phenylcyclopropyl]amino}methyl groups at positions 1 and 4, respectively. It is a potent and irreversible inhibitor of lysine specific demethylase 1 (LSD1, also known as KDM1A). It was under clinical investigation for the treatment of acute myeloid leukaemia and small cell lung carcinoma. | GSK2879552 |
gw 409544 | | GW 409544 |
gw 501516 | An aromatic ether that is phenoxyacetic acid in which the phenyl group is substituted at position 2 by a methyl group and at position 4 by a (1,3-thiazol-5-ylmethyl)sulfanediyl group, and in which the 1,3-thiazolyl group is substituted at positions 2 and 4 by p-trifluoromethylphenyl and methyl groups, respectively. | GW 501516 |
gw 7647 | A monocarboxylic acid that is 2-(phenylsulfanyl)isobutyric acid in which the phenyl group is substituted at the para- position by a 3-aza-7-cyclohexylhept-1-yl group in which the nitrogen is acylated by a (cyclohexylamino)carbonyl group. | GW 7647 |
gw0742 | | GW 0742 |
gypsogenin | A sapogenin that is olean-12-en-28-oic acid substituted by a beta-hydroxy group at position 3 and an oxo group at position 23. | gypsogenin |
hadacidin | A monocarboxylic acid that is N-hydroxyglycine in which the hydrogen attached to the nitrogen is replaced by a formyl group. It was originally isolated from cultures of Penicillium frequentans. | hadacidin |
haloxyfop | A monocarboxylic acid that is 2-phenoxypropanoic acid in which the hydrogen at the para position of the phenyl ring has been replaced by a [3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy group. | 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid |
helvolic acid | A steroid C-21 acid having a 29-nordammarane skeleton substituted with an acetoxy group at C-16 and oxo groups at C-3 and -7, with double bonds at C-1, -17(20) and -24. | helvolic acid |
homovanillic acid | A monocarboxylic acid that is the 3-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid. It is a catecholamine metabolite. | homovanillic acid |
hydantoic acid | A member of the class of ureas obtained by formal condensation of the carboxy group of carbamic acid with the amino group of glycine. | N-carbamoylglycine |
hydantoin-5-propionic acid | A imidazolidine-2,4-dione that is hydantoin substituted by a 2-carboxyethyl group at position 4. | hydantoin-5-propionic acid |
ibufenac | A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 4-isobutylphenyl group. Although it was shown to be effective in treatment of rheumatoid arthritis, the clinical use of ibufenac was discontinued due to hepatotoxic side-effects. | ibufenac |
ibuprofen | A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(2-methylpropyl)phenyl group. | ibuprofen |
ici 204448 | | 2-[3-[1-[[2-(3,4-dichlorophenyl)-1-oxoethyl]-methylamino]-2-(1-pyrrolidinyl)ethyl]phenoxy]acetic acid |
ici 215001 | | 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetic acid |
ifetroban | | ifetroban |
iloprost | A carbobicyclic compound that is prostaglandin I2 in which the endocyclic oxygen is replaced by a methylene group and in which the (1E,3S)-3-hydroxyoct-1-en-1-yl side chain is replaced by a (3R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl group. A synthetic analogue of prostacyclin, it is used as the trometamol salt (generally by intravenous infusion) for the treatment of peripheral vascular disease and pulmonary hypertension. | iloprost |
imazaquin | A quinolinemonocarboxylic acid that is quinoline-3-carboxylic acid which is substituted by a 4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl group at position 2. | 2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid |
imidazoleacetic acid | A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-4-yl group. | imidazol-4-ylacetic acid; imidazol-5-ylacetic acid |
imidazoleacetic acid | A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-5-yl group. | imidazol-4-ylacetic acid; imidazol-5-ylacetic acid |
imidazoleacetic acid ribotide | | [1-(5-phosphoribosyl)imidazol-4-yl]acetic acid |
indole-1-acetic acid | An indolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by an indol-1-yl group. | indole-1-acetic acid |
indoleacetic acid | A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1H-indol-3-yl group. | indole-3-acetic acid |
indoprofen | A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(1-oxo-1,3-dihydroisoindol-2-yl)phenyl group. Initially used as an anti-inflammatory and analgesic, it was withdrawn from the market due to causing severe gastrointestinal bleeding. It has been subsequently found to increase production of the survival motor neuron protein. | indoprofen |
iopanoic acid | | Iopanoic acid |
iophenoxic acid | | iophenoic acid |
isopimaric acid | | isopimaric acid |
ketorolac | A member of the class of pyrrolizines that is 2,3-dihydro-1H-pyrrolizine which is substituted at positions 1 and 5 by carboxy and benzoyl groups, respectively. | 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid; ketorolac |
ki16425 | A member of the class of isoxazoles that is the carbamate ester obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)ethyl hydrogen carbonate with the amino group of 3-({[4-(4-amino-3-methyl-1,2-oxazol-5-yl)phenyl]methyl}sulfanyl)propanoic acid. | 3-[({4-[4-({[1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid |
l 663536 | A member of the class of indoles that is 1H-indole substituted by a isopropyl group at position 5, a tert-butylsulfanediyl group at position 3, a 4-chlorobenzyl group at position 1 and a 2-carboxy-2-methylpropyl group at position 2. It acts as an inhibitor of arachidonate 5-lipoxygenase. | 3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid |
lasalocid | A polyether antibiotic used for prevention and treatment of coccidiosis in poultry. | lasalocid |
lesinurad | A member of the class of triazoles that is [(3-bromo-1,2,4-triazol-5-yl)sulfanyl]acetic acid substituted at position 1 of the triazole ring by a 4-cyclopropylnaphthalen-1-yl group. Used for treatment of gout. | lesinurad |
lonazolac | A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-(4-chlorophenyl)-1-phenylpyrazol-4-yl group. | lonazolac |
lonidamine | A member of the class of indazoles that is 1H-indazole that is substituted at positions 1 and 3 by 2,4-dichlorobenzyl and carboxy groups, respectively. | lonidamine |
loxoprofen | A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-[(2-oxocyclopentyl)methyl]phenyl group. A prodrug that is rapidly converted into its active trans-alcohol metabolite following oral administration. | loxoprofen |
madecassic acid | A pentacyclic triterpenoid that is ursane substituted by a carboxy group at position 28 and hydroxy groups at positions 2, 3, 6 and 23 (the 2alpha,3beta,6beta stereoisomer). | madecassic acid |
meclofenoxate | | Meclofenoxate |
mecoprop | A monocarboxylic acid that is lactic acid in which the hydroxyl hydrogen is replaced by a 4-chloro-2-methylphenyl group. | 2-(4-chloro-2-methylphenoxy)propanoic acid |
melilotic acid | A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 3 is substituted by a 2-hydroxyphenyl group. | 3-(2-hydroxyphenyl)propanoic acid |
mesalamine | A monohydroxybenzoic acid that is salicylic acid substituted by an amino group at the 5-position. | mesalamine |
methoxyacetic acid | A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a methoxy group. | methoxyacetic acid |
methylimidazoleacetic acid | A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1-methyl-1H-imidazol-4-yl group. | 1-methyl-4-imidazoleacetic acid |
metrizoate | | metrizoic acid |
miroprofen | A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(imidazo[1,2-a]pyridin-2-yl)phenyl group. A non-steroidal anti-inflammatory drug that also exhibits analgesic, antipyretic and platelet aggregation inhibition properties. | miroprofen |
mitiglinide | | mitiglinide |
monensin | A spiroketal, monensin A is the major component of monensin, a mixture of antibiotic substances produced by Streptomyces cinnamonensis. An antiprotozoal, it is used as the sodium salt as a feed additive for the prevention of coccidiosis in poultry and as a growth promoter in cattle. | monensin A |
monotropein | An iridoid monoterpenoid that is 1,4a,7,7a-tetrahydrocyclopenta[c]pyran substituted by a beta-D-glucopyranosyloxy group at position 1, a carboxylic acid group at position 4, and at position 7 by a hydroxy and hydroxymethyl groups respectively (the 1S,4aS,7R,7aS diastereomer). | monotropein |
montelukast | | montelukast |
mre 269 | A member of the class of pyrazines that is {4-[(propan-2-yl)(pyrazin-2-yl)amino]butoxy}acetic acid carrying two additional phenyl substituents at positions 5 and 6 on the pyrazine ring. The active metabolite of selexipag, an orphan drug used for the treatment of pulmonary arterial hypertension. | ACT-333679 |
mupirocin | An alpha,beta-unsaturated ester resulting from the formal condensation of the alcoholic hydroxy group of 9-hydroxynonanoic acid with the carboxy group of (2E)-4-[(2S)-tetrahydro-2H-pyran-2-yl]-3-methylbut-2-enoic acid in which the tetrahydropyranyl ring is substituted at positions 3 and 4 by hydroxy groups and at position 5 by a {(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl group. Originally isolated from the Gram-negative bacterium Pseudomonas fluorescens, it is used as a topical antibiotic for the treatment of Gram-positive bacterial infections. | mupirocin |
mycophenolic acid | A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases. | mycophenolic acid |
myrsinoic acid b | A member of the class of 1-benzofurans that is 2,3-dihydro-1-benzofuran substituted by a carboxy group at position 5, a 1',5'-dimethyl-1'-hydroxy-4'-hexenyl group at position 2 and a prenyl group at position 7. Isolated from Myrsine seguinii, it exhibits anti-inflammatory activity. | myrsinoic acid B |
n-methylhippuric acid | An N-acylglycine that is N-methylglycine in which the hydrogen of the amino group is substituted by a benzoyl group. | N-methylhippuric acid |
nafenopin | A monocarboxylic acid that is 2-hydroxy-2-methylpropanoic acid in which ther tertiary hydroxy group has been converted into the corresponding p-(1,2,3,4-tetrahydronaphthalen-1-yl)phenyl ether. | 2-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanoic acid |
nalidixic acid | A monocarboxylic acid comprising 1,8-naphthyridin-4-one substituted by carboxylic acid, ethyl and methyl groups at positions 3, 1, and 7, respectively. An orally administered antibacterial, it is used in the treatment of lower urinary-tract infections due to Gram-negative bacteria, including the majority of E. coli, Enterobacter, Klebsiella, and Proteus species. | nalidixic acid |
nanaomycin a | A pyranonaphthoquinone antibiotic from strain OS-3966 of Streptomyces rosa var. notoensis. | nanaomycin A |
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. | naproxen |
neurosporaxanthin | A monocarboxylic acid that results from the oxidation of the aldehyde group of 4'-apo-beta-carotenal to the corresponding carboxylic acid. | neurosporaxanthin |
ochratoxin b | A phenylalanine derivative resulting from the formal condensation of the amino group of L-phenylalanine with the carboxy group of (3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid. Ochratoxin B differs from the more naturally abundant ochratoxin A in the absence of the dihydroisocoumarin chlorine atom. It has cytotoxic effects on kidney and liver cells in vitro but only minor effects in vivo, due to its rapid metabolism and excretion. It inhibits cell proliferation of human liver HepG2 cells at doses as low as 1 mug/ ml but lacks the genotoxic activity of ochratoxin A, even at higher concentrations. | ochratoxin B |
olivetolic acid | A member of the class of benzoic acids that is salicylic acid in which the hydrogens ortho- and para- to the carboxy group are replaced by a pentyl and a hydroxy group, respectively. | olivetolic acid |
orantinib | An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 2-(2-carboxyethyl)-3,5-dimethylpyrrol-3-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1. | orantinib |
oxaprozin | A monocarboxylic acid that is a propionic acid derivative having a 4,5-diphenyl-1,3-oxazol-2-yl substituent at position 3. It is non-steroidal anti-inflammatory drug commonly used to relieve the pain and inflammatory responses associated with osteoarthritis and rheumatoid arthritis. | oxaprozin |
oxonic acid | | 5-azaorotic acid |
oxyphencyclimine | | Oxyphencyclimine |
pefloxacin | A quinolone that is 4-oxo-1,4-dihydroquinoline which is substituted at positions 1, 3, 6 and 7 by ethyl, carboxy, fluorine, and 4-methylpiperazin-1-yl groups, respectively. | pefloxacin |
phenoxyacetic acid | A monocarboxylic acid that is the O-phenyl derivative of glycolic acid. A metabolite of 2-phenoxyethanol, it is used in the manufacture of pharmaceuticals, pesticides, fungicides and dyes. | phenoxyacetic acid |
phenylacetic acid | A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group. | phenylacetic acid |
phenylacetylglycine | A N-acylglycine that is glycine substituted on nitrogen with a phenylacetyl group. | phenylacetylglycine |
phosphoenolpyruvate | A monocarboxylic acid that is acrylic acid substituted by a phosphonooxy group at position 2. It is a metabolic intermediate in pathways like glycolysis and gluconeogenesis. | phosphoenolpyruvic acid |
phosphonoacetic acid | A member of the class of phosphonic acids that is phosphonic acid in which the hydrogen attached to the phosphorous is replaced by a carboxymethyl group. | phosphonoacetic acid |
pipemidic acid | A pyridopyrimidine that is 5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid substituted at position 2 by a piperazin-1-yl group and at position 8 by an ethyl group. A synthetic broad-spectrum antibacterial, it is used for treatment of gastrointestinal, biliary, and urinary infections. | pipemidic acid |
piperonylic acid | A member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a carboxy group at position 5. It is a natural product isolated from several plant species. It is a selective mechanism-based inactivator of the trans-cinnamate 4-hydroxylase enzyme and exhibits antifungal and skin wound healing properties. | piperonylic acid |
piromidic acid | A pyridopyrimidine that is 5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, substituted at position 2 by a pyrrolidin-1-yl group and at position 8 by an ethyl group. A synthetic antibacterial which is used for the treatment of urinary tract and intestinal infections. | piromidic acid |
piscidic acid | | piscidic acid |
proclavaminic acid | | proclavaminic acid zwitterion; proclavaminic acid |
pyochelin | A member of the class of thiazolidines that is (4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid which is substituted at position 2 by a (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl group. A siderophore that is produced by Pseudomonas aeruginosa (via condensation of salicylic acid and two molecules of cysteine) as a mixture of two easily interconvertible diastereoisomers, pyochelin I (major) and pyochelin II (minor). The enantiomeric compounds, enant-pyochelin, are produced by Pseudomonas fluorescens. | pyochelin |
pyrostatin a | A carboxamidine heterocycle which is obtained by formal condensation of 4-amino-L-allothreonine with acetic acid. | 5-hydroxyectoine zwitterion; 5-hydroxyectoine |
quinclorac | A quinolinemonocarboxylic acid that is quinoline-8-carboxylic acid in which the hydrogens at positions 3 and 7 have been replaced by chlorines. It is used (particularly as its dimethylamine salt, known as quinclorac-dimethylammonium) as a (rather persistent) herbicide for the post-emergence control of weeds in rice, grass and turf. It is not approved for use within the European Union. | quinclorac |
quizalofop | A monocarboxylic acid that is 2-phenoxypropanoic acid in which the phenyl group is substituted at the para position by a (6-chloroquinoxalin-2-yl)oxy group. | 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid |
ritalinic acid | A monocarboxylic acid that is phenylacetic acid substituted by a piperidin-2-yl group at position 2. It is a metabolite of the drug methylphenidate. | ritalinic acid |
robenacoxib | An aromatic amino acid that is 2-amino-5-ethylphenylacetic acid in which one of the amino hydrogens is replaced by a 2,3,5,6-tetrafluorophenyl group. A selective cyclooxygenase 2 inhibitor that is used in veterinary medicine for the relief of pain and inflammation in cats and dogs. | robenacoxib |
roburic acid | A tetracyclic triterpenoid with formula C30H40O2 that is isolated from the roots of Gentiana dahurica and Gentiana macrophylla. | roburic acid |
rosmarinic acid | The 1-carboxy-2-(2,4-dihydroxyphenyl)ethyl ester of trans-caffeic acid. | rosmarinic acid |
salicylamide-2-acetic acid | | salamidacetic acid |
salvin | An abietane diterpenoid that is abieta-8,11,13-triene substituted by hydroxy groups at positions 11 and 12 and a carboxy group at position 20. It is isolated from rosemary (Rosmarinus officinalis) and common sage (Salvia officinalis) and exhibits anti-angiogenic, antineoplastic, antioxidant and anti-HIV activity. | carnosic acid |
sandaracopimaric acid | A pimarane diterpenoid that is (1S,4aS,4bS,7R,10aS)-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene carrying a carboxy group at position 1 and a vinyl group at position 7. It is a natural product found in several plant species. | sandaracopimaric acid |
sarkolysin | | Merphalan |
saroglitazar | A monocarboxylic acid that is (2S)-2-ethoxy-3-(p-ethoxyphenyl)propanoic acid in which one of the methyl hydrogens of the p-ethoxy substituent has been replaced by the nitrogen of 2-methyl-5-[4-(methylthio)phenyl]-1H-pyrrole. An agonist at the subtypes alpha and gamma of the peroxisome proliferator-activated receptor (PPAR) with predominant PPARalpha activity, it is used in the treatment of type 2 diabetes. | saroglitazar |
sdz eaa 494 | A member of the class of piperazines that is piperazine substituted by a carboxy group at position 2R and a (1E)-1-phosphonoprop-1-en-3-yl group at position 4. It is an antagonist of N-methyl-D-aspartate receptors (NMDARs) and was in clinical development by Novartis for the treatment of cognition disorders and brain injuries (now discontinued). | midafotel |
sm 21 | | 2-(4-chlorophenoxy)butanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester |
sofalcone | A member of the class of chalcones that is benzene in which the hydrogens at positions 1,2 and 5 are replaced by carboxymethoxy, (1E)-1-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-3-oxoprop-1-en-3-yl, and (3-methylbut-2-en-1-yl)oxy groups, respectively. It is a gastrointestinal drug currently used for treatment of gastritis and gastric ulcers in Japan and South Korea. | sofalcone |
spongia-13(16),14-dien-19-oic acid | A tetracyclic diterpenoid that is 3b,4,5,5a,6,7,8,9,9a,9b,10,11-dodecahydrophenanthro[1,2-c]furan substituted by methyl groups at positions 3b, 6 and 9 and a carboxy group at position 6. Isolated from Spongia, it exhibits inhibitory activity against androgen receptor. | spongia-13(16),14-dien-19-oic acid |
steviol | An ent-kaurane diterpenoid that is 5beta,8alpha,9beta,10alpha-kaur-16-en-18-oic acid in which the hydrogen at position 13 has been replaced by a hydroxy group. | steviol |
SU5402 | An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 3-(2-carboxyethyl)-4-methyl-1H-pyrrol-2-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1. | SU5402 |
sulindac | A monocarboxylic acid that is 1-benzylidene-1H-indene which is substituted at positions 2, 3, and 5 by methyl, carboxymethyl, and fluorine respectively, and in which the phenyl group of the benzylidene moiety is substituted at the para position by a methylsulfinyl group. It is a prodrug for the corresponding sulfide, a non-steroidal anti-inflammatory drug, used particularly in the treatment of acute and chronic inflammatory conditions. | sulindac |
sulindac sulfide | An aryl sulfide that is a metabolite of sulindac. A non-steroidal anti-inflammatory drug, which also has anticancer activity. | sulindac sulfide |
sulindac sulfone | A sulfone metabolite of sulindac that inhibits cell growth by inducing apoptosis independently of cyclooxygenase inhibition. It inhibits the development and induces regression of premalignant adenomatous polyps. Lipoxygenase and Cox-2 inhibitor. | sulindac sulfone |
suprofen | An aromatic ketone that is thiophene substituted at C-2 by a 4-(1-carboxyethyl)benzoyl group. | suprofen |
suxibuzone | A pyrazolidine that is phenylbutazone which is substituted by a 3-carboxypropanoylmethyl group at the 4-position. Suxibuzone is a prodrug for phenylbutazone and is commonly used as an anti-inflammatory drug in horses. | suxibuzone |
tafamidis | A member of the class of 1,3-benzoxazoles that is 1,3-benzoxazole-6-carboxylic acid in which the hydrogen at position 2 is replaced by a 3,5-dichlorophenyl group. Used (as its meglumine salt) for the amelioration of transthyretin-related hereditary amyloidosis. | tafamidis |
temafloxacin | A quinolone that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted at positions 1, 6, and 7 by 2,4-difluorophenyl, fluorine, and 3-methylpiperazin-1-yl groups, respectively. | 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
tetraiodothyroacetic acid | A monocarboxylic acid that is thyroacetic acid carrying four iodo substituents at positions 3, 3', 5 and 5'. | 3,3',5,5'-tetraiodothyroacetic acid |
theogallin | A gallate ester resulting from the formal condensation of gallic acid with the (5R)-hydroxy group of (-)-quinic acid (i.e. the hydroxy group on the same side of the cyclohexane ring as the carboxy group). | theogallin |
tianeptine | A member of the class of dibenzothiazepines that is 3-chloro-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepine 5,5-dioxide substituted by a (6-carboxyhexyl)amino group at position 11. | 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid |
tiaprofenic acid | An aromatic ketone that is thiophene substituted at C-2 by benzoyl and at C-4 by a 1-carboxyethyl group. | tiaprofenic acid |
ticrynafen | An aromatic ketone that is 2,3-dichlorophenoxyacetic acid in which the hydrogen at position 4 on the benzene ring is replaced by a thiophenecarbonyl group. A loop diuretic used to treat hypertension, it was withdrawn from the market in 1982 due to links with hepatitis. | tienilic acid |
tolmetin | A monocarboxylic acid that is (1-methylpyrrol-2-yl)acetic acid substituted at position 5 on the pyrrole ring by a 4-methylbenzoyl group. Used in the form of its sodium salt dihydrate as a nonselective nonsteroidal anti-inflammatory drug. | tolmetin |
tosufloxacin | A 1,8-naphthyridine derivative that is 4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid bearing additional 2,4-difluorophenyl, fluoro and 3-aminopyrrolidin-1-yl substituents at positions 1, 6 and 7 respectively. | 7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid |
trichloroacetic acid | A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine. | trichloroacetic acid |
triclopyr | A monocarboxylic acid that is (pyridin-2-yloxy)acetic acid substituted by chloro groups at positions 3, 5 and 6. It is an agrochemical used as a herbicide. | trichlopyr |
triptohypol C | A pentacyclic triterpenoid with formula C29H40O4, originally isolated from the root bark of Tripterygium regelii. | triptohypol C |
tropodithietic acid | A monocarboxylic acid that is 8,9-dithiabicyclo[5.2.0]nona-1,3,6-triene substituted by a carboxy group at position 2 and an oxo group at position 3. It is a broad spectrum antibiotic produced by the marine bacterium Phaeobacter inhibens that also acts as a signalling molecule at lower concentrations. | tropodithietic acid |
tyropanoate | | tyropanoate |
vadimezan | A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 5,6-dimethyl-9-oxoxanthen-4-yl group. | vadimezan |
valerenic acid | A monocarboxylic acid that is 2-methylprop-2-enoic acid which is substituted at position 3 by a 3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl group. A bicyclic sesquiterpenoid constituent of the essential oil of the Valerian plant. | valerenic acid |
valsartan | A monocarboxylic acid amide consisting of L-valine in which the amino hydrogens have been replaced by a pentanoyl and a [2'-(1H-tetrazol-5-yl)biphenyl]-4-yl]methyl group. It exhibits antihypertensive activity. | valsartan |
vanchrobactin | A catechol-type natural product that is composed of 2,3-dihydroxybenzoic acid, D-arginine and L-serine joined in sequence by peptide linkages. It is a siderophore synthesized by the bacterial fish pathogen Vibrio anguillarum. | vanchrobactin |
varespladib | A member of the class of indoles that is 1H-indole substituted by benzyl, ethyl, oxamoyl, and carboxymethoxy groups at positions 1, 2, 3, and 4, respectively. It is an oral secretory phospholipase A2 inhibitor and exhibits anti-inflammatory effects. | varespladib |
yersiniabactin | A member of the class of thiazolidines that is (4S)-4-methyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid which is substituted at position 2 by a (1S)-1-hydroxy-1-{(4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl}-2-methylpropan-2-yl group. A siderophore found in the gram-negative bacterium species, Yersinia enterocolitica and Yersinia pestis. | yersiniabactin |
zomepirac | | zomepirac |