Compounds > butyl(3-carboxypropyl)nitrosamine
Page last updated: 2024-09-22

butyl(3-carboxypropyl)nitrosamine

Description

butyl(3-carboxypropyl)nitrosamine: urinary metabolite of butyl(4-hydroxybutyl)nitrosamine; structure [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

N-butyl-N-(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). [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Cross-References

ID SourceID
PubMed CID37993
CHEBI ID91112
SCHEMBL ID3346160
MeSH IDM0049657

Synonyms (25)

Synonym
ccris 835
n-butyl-(3-carboxypropyl)nitrosamine
4-(butylnitrosoamino)butanoic acid
n-butyl-n-(3-carboxypropyl)nitrosamine
butyric acid, 4-(n-butyl-n-nitrosamino)-
bcpn
brn 2257968
butanoic acid, 4-(butylnitrosoamino)-
n-nitrosobutylcarboxypropylamine
butyl(3-carboxypropyl)nitrosamine
n-nitroso-n-butyl-n-(3-carboxypropyl)amine
B3185
4-(n-butyl-n-nitrosamino)butyric acid
38252-74-3
4-[butyl(nitroso)amino]butanoic acid
n-nitrosobutyl(3-carboxypropyl)amine
SCHEMBL3346160
CHEBI:91112
mfcd00216865
n-butyl-n-(3 carboxypropyl)- nitrosamin
DTXSID80191647
4-(butylnitrosoamino)-butanoic acid
Q27163059
T70857
4-(n-butyl-n-nitrosamino)butyricacid

Roles (1)

RoleDescription
carcinogenic agentA role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Drug Classes (2)

ClassDescription
nitrosamineN-Nitroso amines, compounds of the structure R2NNO. Compounds RNHNO are not ordinarily isolable, but they, too, are nitrosamines. The name is a contraction of N-nitrosoamine and, as such, does not require the N locant.
monocarboxylic acidAn oxoacid containing a single carboxy group.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Research

Studies (26)

TimeframeStudies, This Drug (%)All Drugs %
pre-199020 (76.92)18.7374
1990's5 (19.23)18.2507
2000's1 (3.85)29.6817
2010's0 (0.00)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other27 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
dibutylnitrosamine[no description available]medium60nitroso compound
butylhydroxybutylnitrosamine[no description available]high150nitrosamine;
primary alcohol		carcinogenic agent
sodium nitrate[no description available]medium10inorganic nitrate salt;
inorganic sodium salt		fertilizer;
NMR chemical shift reference compound
dibutylamine[no description available]medium10
sodium nitrite[no description available]medium10inorganic sodium salt;
nitrite salt		antidote to cyanide poisoning;
antihypertensive agent;
antimicrobial food preservative;
food antioxidant;
poison
nitrates[no description available]medium10monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species
disulfiram[no description available]medium30organic disulfide;
organosulfur acaricide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor
saccharin[no description available]medium101,2-benzisothiazole;
N-sulfonylcarboxamide		environmental contaminant;
sweetening agent;
xenobiotic
caffeine[no description available]medium10purine alkaloid;
trimethylxanthine		adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic
tretinoin[no description available]medium10retinoic acid;
vitamin A		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule
etretinate[no description available]medium10enoate ester;
ethyl ester;
retinoid		keratolytic drug
n-ethyl-n-(4-hydroxybutyl)nitrosamine[no description available]medium10
phenobarbital[no description available]medium10barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
acetone[no description available]medium10ketone body;
methyl ketone;
propanones;
volatile organic compound		EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent
2-aminofluorene[no description available]medium10
nad[no description available]medium10organophosphate oxoanioncofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite
thymosin[no description available]medium10
methylnitrosourea[no description available]medium10N-nitrosoureasalkylating agent;
carcinogenic agent;
mutagen;
teratogenic agent
concanavalin a[no description available]medium10
acetaldehyde[no description available]low00aldehydecarcinogenic agent;
EC 3.5.1.4 (amidase) inhibitor;
electron acceptor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
mutagen;
oxidising agent;
Saccharomyces cerevisiae metabolite;
teratogenic agent
benzene[no description available]low00aromatic annulene;
benzenes;
volatile organic compound		carcinogenic agent;
environmental contaminant;
non-polar solvent
2-nitropropane[no description available]low00secondary nitroalkanecarcinogenic agent;
hepatotoxic agent;
polar aprotic solvent;
xenobiotic
formaldehyde[no description available]low00aldehyde;
one-carbon compound		allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
hydroquinone[no description available]low00benzenediol;
hydroquinones		antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent
naphthalene[no description available]low00naphthalenes;
ortho-fused bicyclic arene		apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component
1,2-dimethylhydrazine[no description available]low00hydrazinesalkylating agent;
carcinogenic agent
2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine[no description available]low00imidazopyridine;
primary amino compound		carcinogenic agent;
mutagen
3-methylcholanthrene[no description available]low00ortho- and peri-fused polycyclic arenearyl hydrocarbon receptor agonist;
carcinogenic agent
aristolochic acid i[no description available]medium00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
azathioprine[no description available]low00aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
benzo(a)pyrene[no description available]low00ortho- and peri-fused polycyclic arenecarcinogenic agent;
mouse metabolite
busulfan[no description available]low00methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
chlorambucil[no description available]medium00aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
dacarbazine[no description available]low00imidazoles;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
carcinogenic agent;
prodrug
ddt[no description available]low00benzenoid aromatic compound;
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide		bridged diphenyl acaricide;
carcinogenic agent;
endocrine disruptor;
persistent organic pollutant
methapyrilene[no description available]low00ethylenediamine derivativeanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative
methyl methanesulfonate[no description available]low00methanesulfonate esteralkylating agent;
apoptosis inducer;
carcinogenic agent;
genotoxin;
mutagen
patulin[no description available]low00furopyran;
gamma-lactone;
lactol		antimicrobial agent;
Aspergillus metabolite;
carcinogenic agent;
mutagen;
mycotoxin;
Penicillium metabolite
phenazopyridine[no description available]low00diaminopyridine;
monoazo compound		anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic
semustine[no description available]low00N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent
sulfamethazine[no description available]low00pyrimidines;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
antiinfective agent;
antimicrobial agent;
carcinogenic agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
ligand;
xenobiotic
2-acetylaminofluorene[no description available]low002-acetamidofluorenesantimitotic;
carcinogenic agent;
epitope;
mutagen
diethylnitrosamine[no description available]medium00nitrosaminecarcinogenic agent;
hepatotoxic agent;
mutagen
4-nitroquinoline-1-oxide[no description available]low00C-nitro compound;
quinoline N-oxide		carcinogenic agent
dimazine[no description available]low00hydrazinescarcinogenic agent;
fuel;
teratogenic agent
9,10-dimethyl-1,2-benzanthracene[no description available]low00ortho-fused polycyclic arene;
tetraphenes		carcinogenic agent
n-nitrosomorpholine[no description available]medium00nitrosaminecarcinogenic agent;
mutagen
ethyl methanesulfonate[no description available]low00methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
genotoxin;
mutagen;
teratogenic agent
diethyl sulfate[no description available]low00alkyl sulfatealkylating agent;
apoptosis inducer;
carcinogenic agent;
mutagen
chloroform[no description available]low00chloromethanes;
one-carbon compound		carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant
hexachloroethane[no description available]low00chlorocarbon;
chloroethanes		carcinogenic agent;
refrigerant
bromoethane[no description available]low00bromoalkane;
bromohydrocarbon;
volatile organic compound		alkylating agent;
carcinogenic agent;
local anaesthetic;
refrigerant;
solvent
vinyl chloride[no description available]low00chloroethenes;
gas molecular entity;
monohaloethene		carcinogenic agent
methylene chloride[no description available]low00chloromethanes;
volatile organic compound		carcinogenic agent;
polar aprotic solvent;
refrigerant
vinylidene chloride[no description available]low00chloroethenescarcinogenic agent;
mouse metabolite;
mutagen
trichloroacetic acid[no description available]medium00monocarboxylic acid;
organochlorine compound		carcinogenic agent;
metabolite;
mouse metabolite
acrylamide[no description available]low00acrylamides;
N-acylammonia;
primary carboxamide		alkylating agent;
carcinogenic agent;
Maillard reaction product;
mutagen;
neurotoxin
acriflavine chloride[no description available]low00organic chloride saltantibacterial agent;
antiseptic drug;
carcinogenic agent;
histological dye;
intercalator
2,6-xylidine[no description available]low00dimethylaniline;
primary arylamine		carcinogenic agent;
drug metabolite
2,4,6-trichlorophenol[no description available]low00trichlorophenolcarcinogenic agent
2-nitrotoluene[no description available]low00mononitrotoluenecarcinogenic agent;
environmental contaminant
1-methylnaphthalene[no description available]low00methylnaphthalenecarcinogenic agent;
plant metabolite
2-nitroanisole[no description available]low002-nitroanisolescarcinogenic agent
2-naphthylamine[no description available]low00naphthylaminecarcinogenic agent
proflavine[no description available]low00aminoacridinesantibacterial agent;
antiseptic drug;
carcinogenic agent;
chromophore;
intercalator
4-biphenylamine[no description available]low00aminobiphenylcarcinogenic agent
benzidine[no description available]low00biphenyls;
substituted aniline		carcinogenic agent
2-toluidine[no description available]low00aminotoluenecarcinogenic agent
benzotrichloride[no description available]low00benzenes;
organochlorine compound;
volatile organic compound		carcinogenic agent
benzoyl chloride[no description available]low00acyl chloride;
benzenes		carcinogenic agent
n-nitrosopiperidine[no description available]medium00nitrosamine;
piperidine		apoptosis inducer;
carcinogenic agent;
environmental contaminant;
mutagen
4,4'-diaminodiphenylmethane[no description available]low00aromatic amineallergen;
carcinogenic agent
4-vinyl-1-cyclohexene dioxide[no description available]low00epoxidecarcinogenic agent
ethylene dibromide[no description available]low00bromoalkane;
bromohydrocarbon		algal metabolite;
carcinogenic agent;
fumigant;
marine metabolite;
mouse metabolite;
mutagen
1,3-butadiene[no description available]low00butadienecarcinogenic agent;
mutagen
acrylonitrile[no description available]low00aliphatic nitrile;
volatile organic compound		antifungal agent;
carcinogenic agent;
fungal metabolite;
mutagen;
polar aprotic solvent
furan[no description available]low00furans;
mancude organic heteromonocyclic parent;
monocyclic heteroarene		carcinogenic agent;
hepatotoxic agent;
Maillard reaction product
chlorendic acid[no description available]low00bridged compound;
dicarboxylic acid;
organochlorine compound		carcinogenic agent
hexachlorobenzene[no description available]low00aromatic fungicide;
chlorobenzenes		antifungal agrochemical;
carcinogenic agent;
persistent organic pollutant
methapyrilene hydrochloride[no description available]low00hydrochlorideanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative
phenazopyridine hydrochloride[no description available]low00hydrochloridecarcinogenic agent;
local anaesthetic;
non-narcotic analgesic
nitrilotriacetic acid[no description available]low00NTA;
tricarboxylic acid		carcinogenic agent;
nephrotoxic agent
estragole[no description available]low00alkenylbenzene;
monomethoxybenzene;
phenylpropanoid		carcinogenic agent;
flavouring agent;
genotoxin;
insect attractant;
plant metabolite
benzo(e)pyrene[no description available]low00ortho- and peri-fused polycyclic arenecarcinogenic agent;
mutagen
diazomethane[no description available]low00diazo compoundalkylating agent;
antineoplastic agent;
carcinogenic agent;
poison
perfluorooctanoic acid[no description available]low00fluoroalkanoic acidcarcinogenic agent;
endocrine disruptor;
environmental contaminant;
surfactant;
xenobiotic
4-methylcatechol[no description available]low00methylcatecholantioxidant;
carcinogenic agent;
hapten;
human metabolite;
plant metabolite
mustard gas[no description available]low00ethyl sulfide;
organochlorine compound		alkylating agent;
carcinogenic agent;
vesicant
1,2-naphthoquinone[no description available]low001,2-naphthoquinonesaryl hydrocarbon receptor agonist;
carcinogenic agent
bis(chloromethyl) ether[no description available]low00ether;
organochlorine compound		alkylating agent;
carcinogenic agent
malachite green[no description available]low00organic chloride saltantibacterial agent;
antifungal drug;
carcinogenic agent;
environmental contaminant;
fluorochrome;
histological dye;
teratogenic agent
2-nitrofluorene[no description available]low00nitroarenecarcinogenic agent;
mutagen
2,6-dichlorobenzoquinone[no description available]low001,4-benzoquinones;
organochlorine compound		carcinogenic agent;
poison
ethylnitrosourea[no description available]low00N-nitrosoureasalkylating agent;
carcinogenic agent;
genotoxin;
mutagen
4-methylimidazole[no description available]low00imidazolescarcinogenic agent;
reaction intermediate
beryllium oxide[no description available]low00beryllium molecular entity;
metal oxide		carcinogenic agent
1,5-naphthalenediamine[no description available]low00naphthalenediaminecarcinogenic agent
5-methoxyindoleacetic acid[no description available]low00aromatic ether;
indole-3-acetic acids		antibacterial agent;
Brassica napus metabolite;
carcinogenic agent;
human urinary metabolite;
marine xenobiotic metabolite;
rat metabolite
1-nitropyrene[no description available]low00nitroarenecarcinogenic agent
cyclophosphamide[no description available]low00hydratealkylating agent;
antineoplastic agent;
carcinogenic agent;
immunosuppressive agent
acetoxyacetylaminofluorene[no description available]low002-acetamidofluorenescarcinogenic agent;
mutagen
nitrosocarbaryl[no description available]low00carbamate ester;
naphthalenes;
nitroso compound		carcinogenic agent;
mutagen
phosphine[no description available]low00mononuclear parent hydride;
phosphanes;
phosphine		carcinogenic agent;
fumigant insecticide
lead chromate[no description available]low00chromium coordination entity;
lead coordination entity		carcinogenic agent;
nephrotoxin;
neurotoxin
sodium chromate(vi)[no description available]low00inorganic sodium saltcarcinogenic agent;
diagnostic agent;
oxidising agent;
poison
beryllium chloride[no description available]low00beryllium molecular entity;
inorganic chloride		carcinogenic agent;
genotoxin
potassium chromate(vi)[no description available]low00potassium saltcarcinogenic agent;
oxidising agent
cadmium nitrate[no description available]low00cadmium salt;
inorganic nitrate salt		carcinogenic agent;
genotoxin;
hepatotoxic agent
ethionine[no description available]low00S-ethylhomocysteineantimetabolite;
carcinogenic agent
n-ethyl-n-hydroxyethylnitrosamine[no description available]medium00nitrosamine;
primary alcohol		carcinogenic agent
n-amyl-n-methylnitrosamine[no description available]medium00nitrosaminecarcinogenic agent
n-nitrososarcosine[no description available]medium00nitrosamine;
non-proteinogenic amino acid derivative		carcinogenic agent
ferric nitrilotriacetate[no description available]low00iron chelatecarcinogenic agent;
mutagen
tetradecanoylphorbol acetate[no description available]low00acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester		antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator
1,4-dioxane[no description available]low00dioxane;
volatile organic compound		carcinogenic agent;
metabolite;
NMR chemical shift reference compound;
non-polar solvent
diisopropanolnitrosamine[no description available]medium00diol;
nitrosamine;
secondary alcohol		carcinogenic agent
nitrosobis(2-oxopropyl)amine[no description available]medium00ketone;
nitrosamine		carcinogenic agent
2-amino-3-methylimidazo(4,5-f)quinoline[no description available]low00imidazoquinolinecarcinogenic agent
2-amino-3,8-dimethylimidazo(4,5-f)quinoxaline[no description available]low00aromatic amine;
imidazoquinoxaline		carcinogenic agent;
genotoxin;
Maillard reaction product;
mutagen
musk xylene[no description available]low00C-nitro compoundcarcinogenic agent;
explosive;
fragrance
scarlet red[no description available]low00azobenzenes;
bis(azo) compound;
naphthols		carcinogenic agent;
fluorochrome;
histological dye
sudan iii[no description available]low00azobenzenes;
bis(azo) compound;
naphthols		carcinogenic agent;
fluorochrome;
histological dye
xanthurenic acid 8-methyl ether[no description available]low00aromatic ether;
monohydroxyquinoline;
quinolinemonocarboxylic acid		carcinogenic agent;
metabolite;
mouse metabolite
n-hydroxy-4-aminobiphenyl[no description available]low00aminobiphenyl;
N-substituted amine		carcinogenic agent;
human xenobiotic metabolite
aflatoxin q1[no description available]low00aflatoxin;
aromatic ether;
aromatic ketone		carcinogenic agent;
human xenobiotic metabolite
4-(methylnitrosamino)-1-(3-pyridyl)-1-butan-1-ol[no description available]medium00nitrosamine;
pyridines;
secondary alcohol		biomarker;
carcinogenic agent;
human urinary metabolite
2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine[no description available]low00hydroxylamine;
imidazopyridine		carcinogenic agent;
genotoxin;
human xenobiotic metabolite;
mouse metabolite;
mutagen;
neurotoxin;
rat metabolite
thiamethoxam[no description available]low001,3-thiazoles;
2-nitroguanidine derivative;
organochlorine compound;
oxadiazane		antifeedant;
carcinogenic agent;
environmental contaminant;
neonicotinoid insectide;
xenobiotic
aristolochic acid ii[no description available]medium00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
ponceau mx[no description available]low00azobenzenes;
naphthalenesulfonic acid;
naphthols		carcinogenic agent;
cardiotoxic agent
aristolochic acid D[no description available]medium00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
nephrotoxin;
toxin
methanearsonous acid[no description available]low00arsonous acids;
one-carbon compound		carcinogenic agent;
human xenobiotic metabolite;
poison
aristolochic acid c[no description available]medium00aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
aflatoxin b1[no description available]low00aflatoxin;
aromatic ether;
aromatic ketone		carcinogenic agent;
human metabolite
2-hydroxyestradiol[no description available]low0017beta-hydroxy steroid;
2-hydroxy steroid		carcinogenic agent;
human metabolite;
metabolite;
mouse metabolite;
prodrug
ochratoxin a[no description available]low00isochromanes;
monocarboxylic acid amide;
N-acyl-L-phenylalanine;
organochlorine compound;
phenylalanine derivative		Aspergillus metabolite;
calcium channel blocker;
carcinogenic agent;
mycotoxin;
nephrotoxin;
Penicillium metabolite;
teratogenic agent
sodium arsenite[no description available]low00arsenic molecular entity;
inorganic sodium salt		antibacterial agent;
antifungal agent;
antineoplastic agent;
carcinogenic agent;
herbicide;
insecticide;
rodenticide
diethylstilbestrol[no description available]low00olefinic compound;
polyphenol		antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen
melphalan[no description available]low00L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
versicolorin a[no description available]low00cyclic acetal;
organic heteropentacyclic compound;
p-quinones;
polyphenol		Aspergillus metabolite;
carcinogenic agent
propylthiouracil[no description available]low00pyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist
captax[no description available]low00aryl thiol;
benzothiazoles		carcinogenic agent;
metabolite
dieldrin[no description available]low00epoxide;
organochlorine compound;
organochlorine insecticide		carcinogenic agent;
xenobiotic
fumonisin b1[no description available]low00diester;
fumonisin;
primary amino compound;
triol		carcinogenic agent;
metabolite
fumonisin b2[no description available]low00diester;
diol;
fumonisin;
primary amino compound		Aspergillus metabolite;
carcinogenic agent
riddelliine[no description available]low00macrodiolide;
olefinic compound;
organic heterotricyclic compound;
pyrrolizine alkaloid		carcinogenic agent;
genotoxin;
mutagen
cyclosporine[no description available]low00homodetic cyclic peptideanti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite
beryllium[no description available]low00alkaline earth metal atom;
elemental beryllium;
metal allergen		adjuvant;
carcinogenic agent;
epitope
riddelliine n-oxide[no description available]low00diol;
macrocyclic lactone;
olefinic compound;
organic heterotricyclic compound;
primary alcohol;
pyrrolizine alkaloid;
tertiary alcohol;
tertiary amine oxide		carcinogenic agent;
genotoxin;
human xenobiotic metabolite;
Jacobaea metabolite;
mutagen;
rat metabolite
gw 501516[no description available]medium001,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound		carcinogenic agent;
PPARbeta/delta agonist
4-hydroxyestrone[no description available]low0017-oxo steroid;
3-hydroxy steroid;
4-hydroxy steroid;
catechols;
phenolic steroid		carcinogenic agent;
estrogen;
human urinary metabolite
3,6-diamino-10-methylacridinium chloride hydrochloride[no description available]low00hydrochlorideantibacterial agent;
antiseptic drug;
carcinogenic agent;
intercalator
debromoaplysiatoxin[no description available]low00aplysiatoxins;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
phenols;
secondary alcohol;
spiroketal		algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist
aplysiatoxin[no description available]low00aplysiatoxins;
bromophenol;
cyclic hemiketal;
ether;
organic heterotricyclic compound;
secondary alcohol;
spiroketal		algal metabolite;
carcinogenic agent;
cyanotoxin;
marine metabolite;
protein kinase C agonist
colibactin[no description available]low001,3-thiazoles;
azaspiro compound;
polyketide;
pyrroline;
secondary carboxamide		alkylating agent;
carcinogenic agent;
Escherichia coli metabolite;
genotoxin
dimethylnitrosamine[no description available]low00nitrosaminegeroprotector;
mutagen
trinitrosotrimethylenetriamine[no description available]low001,3,5-triazinanes;
nitrosamine
n-nitrosoheptamethyleneimine[no description available]low00nitrosamine
4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone[no description available]low00nitrosamine;
pyridines
n-3-methylbutyl-n-1-methylacetonylnitrosamine[no description available]low00nitrosamine
n-nitrosothiazolidine[no description available]low00nitrosamine;
thiazolidines
hexahydro-1-nitroso-3,5-dinitro-1,3,5-triazine[no description available]low001,3,5-triazinanes;
N-nitro compound;
nitrosamine
dihydro-3-coumaric acid[no description available]low00monocarboxylic acidEscherichia coli metabolite;
human xenobiotic metabolite
3-phenylpropionic acid[no description available]low00benzenes;
monocarboxylic acid		antifungal agent;
human metabolite;
plant metabolite
2-(3-pyridine)acetic acid[no description available]low00monocarboxylic acid;
pyridines		human xenobiotic metabolite
gamma-aminobutyric acid[no description available]low00amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule
4-hydroxyphenylacetic acid[no description available]low00monocarboxylic acid;
phenols		fungal metabolite;
human metabolite;
mouse metabolite;
plant metabolite
acetic acid[no description available]low00monocarboxylic acidantimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent
formic acid[no description available]low00monocarboxylic acidantibacterial agent;
astringent;
metabolite;
protic solvent;
solvent
aminooxyacetic acid[no description available]low00amino acid;
hydroxylamines;
monocarboxylic acid		anticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor;
EC 4.2.1.22 (cystathionine beta-synthase) inhibitor;
nootropic agent
4-oxo-4-(3-pyridyl)butanoic acid[no description available]low00aromatic ketone;
monocarboxylic acid;
pyridines
gamma-guanidinobutyric acid[no description available]low00guanidines;
monocarboxylic acid;
zwitterion		fungal metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
1-aminocyclopropane-1-carboxylic acid[no description available]low00amino acid zwitterion;
monocarboxylic acid;
non-proteinogenic alpha-amino acid		ethylene releasers;
plant metabolite
phosphonoacetic acid[no description available]low00monocarboxylic acid;
phosphonic acids		antiviral agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
5,6-dihydroorotate[no description available]low00monocarboxylic acid;
N-acylurea;
pyrimidinemonocarboxylic acid;
secondary amide
hydantoin-5-propionic acid[no description available]low00imidazolidine-2,4-dione;
monocarboxylic acid		metabolite;
mouse metabolite
indoleacetic acid[no description available]low00indole-3-acetic acids;
monocarboxylic acid		auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite
melilotic acid[no description available]low00monocarboxylic acid;
phenols		bacterial xenobiotic metabolite;
fungal xenobiotic metabolite;
human xenobiotic metabolite;
plant metabolite
phenylacetic acid[no description available]low00benzenes;
monocarboxylic acid;
phenylacetic acids		allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin
phosphoenolpyruvate[no description available]low00carboxyalkyl phosphate;
monocarboxylic acid		fundamental metabolite
4-(2,4-dichlorophenoxy)butyric acid[no description available]low00aromatic ether;
monocarboxylic acid;
organochlorine compound		agrochemical;
phenoxy herbicide;
synthetic auxin
homovanillic acid[no description available]low00guaiacols;
monocarboxylic acid		human metabolite;
mouse metabolite
acemetacin[no description available]low00carboxylic ester;
indol-3-yl carboxylic acid;
monocarboxylic acid;
monochlorobenzenes;
N-acylindole		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
alminoprofen[no description available]low00amino acid;
monocarboxylic acid;
secondary amino compound;
substituted aniline		antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
alpha-methyl-m-tyrosine[no description available]low00monocarboxylic acid
amlexanox[no description available]low00monocarboxylic acid;
pyridochromene		anti-allergic agent;
anti-ulcer drug;
non-steroidal anti-inflammatory drug
baclofen[no description available]low00amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound		central nervous system depressant;
GABA agonist;
muscle relaxant
bendazac[no description available]low00indazoles;
monocarboxylic acid		non-steroidal anti-inflammatory drug;
radical scavenger
metrizoate[no description available]low00monocarboxylic acidradioopaque medium
carbidopa[no description available]low00benzenes;
monocarboxylic acid
cetirizine[no description available]low00ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines		anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic
cetraxate[no description available]low00benzenes;
monocarboxylic acid
chrysanthemic acid[no description available]low00cyclopropanes;
monocarboxylic acid		plant metabolite
ciprofibrate[no description available]low00cyclopropanes;
monocarboxylic acid;
organochlorine compound		antilipemic drug
clofibric acid[no description available]low00aromatic ether;
monocarboxylic acid;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist
diclofenac[no description available]low00amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
enoxacin[no description available]low001,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor
ethacrynic acid[no description available]low00aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic
etodolac[no description available]low00monocarboxylic acid;
organic heterotricyclic compound		antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
4-biphenylylacetic acid[no description available]low00biphenyls;
monocarboxylic acid		non-steroidal anti-inflammatory drug
fenoprofen[no description available]low00monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
fleroxacin[no description available]low00difluorobenzene;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
quinolines		antibacterial drug;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
flurbiprofen[no description available]low00fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
ibuprofen[no description available]low00monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
ici 204448[no description available]low00monocarboxylic acid
indoprofen[no description available]low00gamma-lactam;
isoindoles;
monocarboxylic acid		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
iopanoic acid[no description available]low00monocarboxylic acid
ketorolac[no description available]low00amino acid;
aromatic ketone;
monocarboxylic acid;
pyrrolizines;
racemate		analgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
loxoprofen[no description available]low00cyclopentanones;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
meclofenoxate[no description available]low00monocarboxylic acid
sarkolysin[no description available]low00monocarboxylic acid
mesalamine[no description available]low00amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols		non-steroidal anti-inflammatory drug
3-Hydroxy-alpha-methyl-DL-tyrosine[no description available]low00benzenes;
monocarboxylic acid
nalidixic acid[no description available]low001,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
oxonic acid[no description available]low001,3,5-triazines;
monocarboxylic acid
oxaprozin[no description available]low001,3-oxazoles;
monocarboxylic acid		analgesic;
non-steroidal anti-inflammatory drug
oxyphencyclimine[no description available]low00monocarboxylic acid
4-phenylbutyric acid[no description available]low00monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug
pipemidic acid[no description available]low00amino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor
piromidic acid[no description available]low00monocarboxylic acid;
pyridopyrimidine;
pyrrolidines;
quinolone antibiotic;
tertiary amino compound		antibacterial drug;
DNA synthesis inhibitor
SU5402[no description available]low00monocarboxylic acid;
oxindoles;
pyrroles		fibroblast growth factor receptor antagonist
suprofen[no description available]low00aromatic ketone;
monocarboxylic acid;
thiophenes		antirheumatic drug;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
suxibuzone[no description available]low00hemisuccinate;
monocarboxylic acid;
pyrazolidines		antirheumatic drug;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
prodrug
tiaprofenic acid[no description available]low00aromatic ketone;
monocarboxylic acid;
thiophenes		drug allergen;
non-steroidal anti-inflammatory drug
tolmetin[no description available]low00aromatic ketone;
monocarboxylic acid;
pyrroles		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
tosufloxacin[no description available]low001,8-naphthyridine derivative;
amino acid;
aminopyrrolidine;
monocarboxylic acid;
organofluorine compound;
primary amino compound;
quinolone antibiotic;
tertiary amino compound
tyropanoate[no description available]low00benzenes;
monocarboxylic acid
zomepirac[no description available]low00aromatic ketone;
monocarboxylic acid;
monochlorobenzenes;
pyrroles		cardiovascular drug;
non-steroidal anti-inflammatory drug
dichloroacetic acid[no description available]low00monocarboxylic acid;
organochlorine compound		astringent;
marine metabolite
bis(p-chlorophenyl)acetic acid[no description available]low00monocarboxylic acid;
monochlorobenzenes
2-phenylbutyric acid[no description available]low00benzenes;
monocarboxylic acid		human xenobiotic metabolite
mecoprop[no description available]low00aromatic ether;
monocarboxylic acid;
monochlorobenzenes
fenoprop[no description available]low00monocarboxylic acidphenoxy herbicide
piperonylic acid[no description available]low00aromatic carboxylic acid;
benzodioxoles;
monocarboxylic acid		antifungal agent;
EC 1.14.14.91 ( trans-cinnamate 4-monooxygenase) inhibitor;
plant metabolite;
vulnerary
2-methyl-4-chlorophenoxy gamma-butyric acid[no description available]low00aromatic ether;
monocarboxylic acid;
monochlorobenzenes		environmental contaminant;
phenoxy herbicide;
xenobiotic
iophenoxic acid[no description available]low00benzenes;
monocarboxylic acid
2-methylvaleric acid[no description available]low00branched-chain saturated fatty acid;
methyl-branched fatty acid;
monocarboxylic acid;
short-chain fatty acid		flavouring agent;
fragrance;
plant metabolite
cyclohexanecarboxylic acid[no description available]low00monocarboxylic acid
diphenylacetic acid[no description available]low00monocarboxylic acidxenobiotic metabolite
dichlorprop[no description available]low00aromatic ether;
dichlorobenzene;
monocarboxylic acid
amprotropine[no description available]low00monocarboxylic acid
cyanoacetic acid[no description available]low00monocarboxylic acid
difluoroacetic acid[no description available]low00monocarboxylic acid;
organofluorine compound
5-methylpyrazole-3-carboxylic acid[no description available]low00monocarboxylic acid;
pyrazoles		metabolite
hydantoic acid[no description available]low00monocarboxylic acid;
N-acylglycine;
ureas		rat metabolite;
xenobiotic metabolite
abietic acid[no description available]low00abietane diterpenoid;
monocarboxylic acid		plant metabolite
3,5-dibromotyrosine[no description available]low00monocarboxylic acid
3-aminobutyric acid[no description available]low00amino acid zwitterion;
beta-amino acid;
monocarboxylic acid		metabolite
4-carboxybenzaladehyde[no description available]low00benzaldehydes;
benzoic acids;
monocarboxylic acid		plant metabolite
3-hydroxybenzeneacetic acid[no description available]low00monocarboxylic acid;
phenols		human xenobiotic metabolite
methoxyacetic acid[no description available]low00ether;
monocarboxylic acid		antineoplastic agent;
apoptosis inducer;
human xenobiotic metabolite;
mutagen
dibromoacetic acid[no description available]low002-bromocarboxylic acid;
monocarboxylic acid		apoptosis inducer;
geroprotector;
marine metabolite
hadacidin[no description available]low00aldehyde;
monocarboxylic acid;
N-hydroxy-alpha-amino-acid		antimicrobial agent;
antineoplastic agent;
Penicillium metabolite;
teratogenic agent
3-hydroxypicolinic acid[no description available]low00monocarboxylic acid;
monohydroxypyridine		MALDI matrix material
dihydroferulic acid[no description available]low00guaiacols;
monocarboxylic acid;
phenylpropanoid		antioxidant;
human xenobiotic metabolite;
mouse metabolite;
plant metabolite
ibufenac[no description available]low00monocarboxylic acidEC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
cyclopropanecarboxylic acid[no description available]low00cyclopropanes;
monocarboxylic acid
(4-tert-Butyl-phenoxy)-acetic acid[no description available]low00monocarboxylic acid
3-methoxyphenylacetic acid[no description available]low00monocarboxylic acid
4-chlorophenylacetic acid[no description available]low00monocarboxylic acid;
monochlorobenzenes		xenobiotic metabolite
4-hydroxyphenoxyacetic acid[no description available]low00monocarboxylic acid
5-phenylvaleric acid[no description available]low00benzenes;
monocarboxylic acid
2-(4-chlorophenoxy)propionic acid[no description available]low00monocarboxylic acidphenoxy herbicide
bumadizone[no description available]low00carbohydrazide;
monocarboxylic acid		antipyretic;
non-steroidal anti-inflammatory drug
phenoxyacetic acid[no description available]low00aromatic ether;
monocarboxylic acid		allergen;
Aspergillus metabolite;
human xenobiotic metabolite;
plant growth retardant
nafenopin[no description available]low00aromatic ether;
monocarboxylic acid
3-phenylbutyric acid[no description available]low00benzenes;
monocarboxylic acid		antibacterial agent;
bacterial xenobiotic metabolite
ochratoxin b[no description available]low00isochromanes;
monocarboxylic acid;
N-acyl-L-phenylalanine;
phenylalanine derivative		Aspergillus metabolite;
calcium channel blocker;
mycotoxin;
Penicillium metabolite
cyclohexaneacetic acid[no description available]low00monocarboxylic acid
glucoheptonate[no description available]low00carbohydrate acid;
monocarboxylic acid		metabolite
alclofenac[no description available]low00aromatic ether;
monocarboxylic acid;
monochlorobenzenes		drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
6-methoxy-2-naphthylacetic acid[no description available]low00methoxynaphthalene;
monocarboxylic acid		drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
xenobiotic metabolite
7-aminodesacetoxycephalosporanic acid[no description available]low00cephalosporin;
monocarboxylic acid
carbidopa[no description available]low00catechols;
hydrazines;
monocarboxylic acid		antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
carbidopa[no description available]low00catechols;
hydrate;
hydrazines;
monocarboxylic acid		antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
ticrynafen[no description available]low00aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes		antihypertensive agent;
hepatotoxic agent;
loop diuretic
2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid[no description available]low00aromatic ether;
dichlorobenzene;
diether;
monocarboxylic acid
bezafibrate[no description available]low00aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
lonidamine[no description available]low00dichlorobenzene;
indazoles;
monocarboxylic acid		antineoplastic agent;
antispermatogenic agent;
EC 2.7.1.1 (hexokinase) inhibitor;
geroprotector
benoxaprofen[no description available]low001,3-benzoxazoles;
monocarboxylic acid;
monochlorobenzenes		antipsoriatic;
antipyretic;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
hepatotoxic agent;
nephrotoxin;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
protein kinase C agonist
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid[no description available]low00chromanol;
monocarboxylic acid;
phenols		antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radical scavenger;
Wnt signalling inhibitor
triclopyr[no description available]low00aromatic ether;
chloropyridine;
monocarboxylic acid		agrochemical;
environmental contaminant;
herbicide;
xenobiotic
acifluorfen[no description available]low00aromatic ether;
benzoic acids;
C-nitro compound;
monocarboxylic acid;
organochlorine compound;
organofluorine compound		agrochemical;
EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor;
herbicide
4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid[no description available]low00aminopyridine;
aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound		environmental contaminant;
herbicide;
xenobiotic
haloxyfop[no description available]low00aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
pyridines
pefloxacin[no description available]low00fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone		antibacterial drug;
antiinfective agent;
DNA synthesis inhibitor
imazaquin[no description available]low00imidazolone;
monocarboxylic acid;
quinolinemonocarboxylic acid
difloxacin[no description available]low00fluoroquinolone antibiotic;
monocarboxylic acid;
monofluorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone		antibacterial drug;
Mycoplasma genitalium metabolite
brequinar[no description available]low00biphenyls;
monocarboxylic acid;
monofluorobenzenes;
quinolinemonocarboxylic acid		anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor;
immunosuppressive agent;
pyrimidine synthesis inhibitor
temafloxacin[no description available]low00amino acid;
monocarboxylic acid;
N-arylpiperazine;
organofluorine compound;
quinolone antibiotic;
quinolone;
secondary amino compound;
tertiary amino compound
adapalene[no description available]low00adamantanes;
monocarboxylic acid;
naphthoic acid		dermatologic drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
non-steroidal anti-inflammatory drug
valsartan[no description available]low00biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
fenofibric acid[no description available]low00aromatic ketone;
chlorobenzophenone;
monocarboxylic acid		drug metabolite;
marine xenobiotic metabolite
salvin[no description available]low00abietane diterpenoid;
carbotricyclic compound;
catechols;
monocarboxylic acid		angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
food preservative;
HIV protease inhibitor;
plant metabolite
tetraiodothyroacetic acid[no description available]low002-halophenol;
aromatic ether;
iodophenol;
monocarboxylic acid		apoptosis inducer;
human metabolite;
thyroid hormone
etofibrate[no description available]low00monocarboxylic acid
fradafiban[no description available]low00carboxamidine;
monocarboxylic acid;
pyrrolidin-2-ones		platelet glycoprotein-IIb/IIIa receptor antagonist
phenylacetylglycine[no description available]low00monocarboxylic acid amide;
monocarboxylic acid;
N-acylglycine		human metabolite;
mouse metabolite
lonazolac[no description available]low00monocarboxylic acid;
monochlorobenzenes;
pyrazoles		antineoplastic agent;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
miroprofen[no description available]low00imidazopyridine;
monocarboxylic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor
flunoxaprofen[no description available]low001,3-benzoxazoles;
monocarboxylic acid;
organofluorine compound		antirheumatic drug;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
protein kinase C agonist
tianeptine[no description available]low00dibenzothiazepine;
monocarboxylic acid;
organochlorine compound
binifibrate[no description available]low00monocarboxylic acid
5-imidazolepropionic acid[no description available]low00imidazoles;
monocarboxylic acid
aceclofenac[no description available]low00amino acid;
carboxylic ester;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
gr 117289[no description available]low001-benzofurans;
biaryl;
imidazolyl carboxylic acid;
monocarboxylic acid;
organobromine compound;
organochlorine compound;
tetrazoles		angiotensin receptor antagonist;
antihypertensive agent
alborixin[no description available]low00cyclic hemiketal;
monocarboxylic acid;
oxolanes;
polyether antibiotic		ionophore
madecassic acid[no description available]low00monocarboxylic acid;
pentacyclic triterpenoid;
tetrol		antioxidant;
plant metabolite
monotropein[no description available]low00beta-D-glucoside;
cyclopentapyran;
iridoid monoterpenoid;
monocarboxylic acid;
monosaccharide derivative		anti-inflammatory agent;
metabolite
3-(3,4-dimethoxyphenyl)propanoic acid[no description available]low00dimethoxybenzene;
monocarboxylic acid
n-methylhippuric acid[no description available]low00monocarboxylic acid;
N-acylglycine		EC 1.1.1.21 (aldehyde reductase) inhibitor
methylimidazoleacetic acid[no description available]low00imidazoles;
monocarboxylic acid		GABA agonist;
metabolite
6-carboxyfluorescein[no description available]low00monocarboxylic acid
4-(2-thienyl)butyric acid[no description available]low00monocarboxylic acid;
thiophenes		hapten
3-(trimethylsilyl)propionic acid[no description available]low00monocarboxylic acid;
organosilicon compound		NMR chemical shift reference compound
3-(4'-hydroxyl-3',5'-dimethoxyphenyl)propionic acid[no description available]low00benzenes;
monocarboxylic acid
ritalinic acid[no description available]low00monocarboxylic acid;
piperidines		drug metabolite;
marine xenobiotic metabolite
indole-1-acetic acid[no description available]low00indolyl carboxylic acid;
monocarboxylic acid
(1-hydroxycyclopentyl)phenylacetic acid[no description available]low00monocarboxylic acid;
tertiary alcohol
fluazifop[no description available]low00aromatic ether;
monocarboxylic acid;
organofluorine compound;
pyridines
quinclorac[no description available]low00monocarboxylic acid;
organochlorine compound;
quinolinemonocarboxylic acid		agrochemical;
herbicide;
synthetic auxin
gypsogenin[no description available]low00aldehyde;
monocarboxylic acid;
pentacyclic triterpenoid;
sapogenin
beta-hydroxyphenylpropionic acid[no description available]low003-hydroxy carboxylic acid;
monocarboxylic acid
salicylamide-2-acetic acid[no description available]low00monocarboxylic acid
dehydroabietic acid[no description available]low00abietane diterpenoid;
carbotricyclic compound;
monocarboxylic acid		allergen;
metabolite
2,6-dichloroisonicotinic acid[no description available]low00monocarboxylic acid;
organochlorine compound;
pyridines		EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor
1-phenazinecarboxylic acid[no description available]low00aromatic carboxylic acid;
monocarboxylic acid;
phenazines		antifungal agent;
antimicrobial agent;
bacterial metabolite
imidazoleacetic acid[no description available]low00imidazoles;
monocarboxylic acid		metabolite;
mouse metabolite
2'-(2-hydroxyphenyl)-2'-thiazoline-4'-carboxylic acid[no description available]low00imidothioate;
monocarboxylic acid
alpha-methylphenylalanine[no description available]low00benzenes;
monocarboxylic acid
4'-hydroxydiclofenac[no description available]low00dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite
asiatic acid[no description available]low00monocarboxylic acid;
pentacyclic triterpenoid;
triol		angiogenesis modulating agent;
metabolite
bw 245c[no description available]low00imidazolidine-2,4-dione;
monocarboxylic acid;
secondary alcohol
piscidic acid[no description available]low00benzenes;
monocarboxylic acid
mitiglinide[no description available]low00benzenes;
monocarboxylic acid
celastrol[no description available]low00monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite
4-carboxyfluorescein[no description available]low00monocarboxylic acidfluorochrome
vadimezan[no description available]low00monocarboxylic acid;
xanthones		antineoplastic agent
ectoine[no description available]low001,4,5,6-tetrahydropyrimidines;
carboxamidine;
monocarboxylic acid;
zwitterion		osmolyte
chrysobactin[no description available]low00catechols;
dipeptide;
monocarboxylic acid;
primary alcohol;
primary amino compound		bacterial metabolite;
siderophore
cd 437[no description available]low00adamantanes;
monocarboxylic acid;
naphthoic acid;
phenols		apoptosis inducer;
retinoic acid receptor gamma agonist
agn 190299[no description available]low00monocarboxylic acid;
pyridines;
retinoid;
thiochromane		keratolytic drug;
teratogenic agent
3-bromotyrosine[no description available]low00monocarboxylic acid
cox 189[no description available]low00amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
varespladib[no description available]low00aromatic ether;
benzenes;
dicarboxylic acid monoamide;
indoles;
monocarboxylic acid;
primary carboxamide		anti-inflammatory drug;
antidote;
EC 3.1.1.4 (phospholipase A2) inhibitor
naproxen[no description available]low00methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
clofibride[no description available]low00monocarboxylic acid
carbazic acid[no description available]low00monocarboxylic acid;
one-carbon compound
endocrocin[no description available]low00monocarboxylic acid;
phenols;
trihydroxyanthraquinone		metabolite
3,5-diiodothyropropionic acid[no description available]low00aromatic ether;
monocarboxylic acid;
organoiodine compound;
phenols
3,5-dihydroxyphenylpropionic acid[no description available]low00benzenes;
monocarboxylic acid
acetyl aleuritolic acid[no description available]low00acetate ester;
monocarboxylic acid;
pentacyclic triterpenoid		antineoplastic agent;
plant metabolite
fukiic acid[no description available]low00benzenes;
monocarboxylic acid
delta-1-piperidine-6-carboxylic acid[no description available]low00monocarboxylic acid;
tetrahydropyridine		mammalian metabolite
3-hydroxy-5-cholestenoic acid[no description available]low003beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
cholestanoid;
monocarboxylic acid;
steroid acid		bacterial metabolite
enrasentan[no description available]low00aromatic ether;
benzodioxoles;
indanes;
monocarboxylic acid;
monomethoxybenzene;
primary alcohol		antihypertensive agent;
endothelin receptor antagonist
quizalofop[no description available]low00aromatic ether;
monocarboxylic acid;
organochlorine compound;
quinoxaline derivative
9-mercaptodethiobiotin[no description available]low00imidazolidinone;
monocarboxylic acid;
thiol;
ureas		Escherichia coli metabolite
proclavaminic acid[no description available]low00amino acid zwitterion;
azetidines;
monocarboxylic acid
orantinib[no description available]low00monocarboxylic acid;
oxindoles;
pyrroles		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
deferasirox[no description available]low00benzoic acids;
monocarboxylic acid;
phenols;
triazoles		iron chelator
sandaracopimaric acid[no description available]low00monocarboxylic acid;
pimarane diterpenoid;
tricyclic diterpenoid		plant metabolite
7-methoxycoumarin-4-acetic acid[no description available]low00monocarboxylic acidfluorochrome
monensin[no description available]low00cyclic hemiketal;
monocarboxylic acid;
polyether antibiotic;
spiroketal		antifungal agent;
coccidiostat;
ionophore
isopimaric acid[no description available]low00carbotricyclic compound;
diterpenoid;
monocarboxylic acid
nanaomycin a[no description available]low00benzoisochromanequinone;
monocarboxylic acid;
organooxygen heterocyclic antibiotic;
p-quinones		bacterial metabolite
theogallin[no description available]low00gallate ester;
monocarboxylic acid;
tertiary alcohol
bispyribac[no description available]low00aromatic ether;
benzoic acids;
monocarboxylic acid;
pyrimidines		herbicide
pyochelin[no description available]low00monocarboxylic acid;
phenols;
thiazolidines		metabolite;
siderophore
yersiniabactin[no description available]low00monocarboxylic acid;
phenols;
secondary alcohol;
thiazolidines		bacterial metabolite;
siderophore
mycophenolic acid[no description available]low002-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic
mupirocin[no description available]low00alpha,beta-unsaturated carboxylic ester;
epoxide;
monocarboxylic acid;
oxanes;
secondary alcohol;
triol		antibacterial drug;
bacterial metabolite;
protein synthesis inhibitor
gw 409544[no description available]low00monocarboxylic acid
steviol[no description available]low00bridged compound;
ent-kaurane diterpenoid;
monocarboxylic acid;
tertiary allylic alcohol;
tetracyclic diterpenoid		antineoplastic agent
bevirimat[no description available]low00dicarboxylic acid monoester;
monocarboxylic acid;
pentacyclic triterpenoid		HIV-1 maturation inhibitor;
metabolite
bromochloroacetic acid[no description available]low002-bromocarboxylic acid;
monocarboxylic acid;
organochlorine compound
neurosporaxanthin[no description available]low00apo carotenoid C35 terpenoid;
monocarboxylic acid
canrenoic acid[no description available]low003-oxo-Delta(4) steroid;
monocarboxylic acid;
steroid acid
dexketoprofen[no description available]low00benzophenones;
monocarboxylic acid		cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2-(4-ethylphenoxy)acetic acid (4-nitrophenyl) ester[no description available]low00monocarboxylic acid
2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetic acid methyl ester[no description available]low00monocarboxylic acid
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]acetic acid[no description available]low00monocarboxylic acid
sulindac[no description available]low00monocarboxylic acid;
organofluorine compound;
sulfoxide		analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent
epalrestat[no description available]low00monocarboxylic acid;
thiazolidines		EC 1.1.1.21 (aldehyde reductase) inhibitor
2-(4-bromophenoxy)acetic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester[no description available]low00monocarboxylic acid
2-(2-cyanophenoxy)acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester[no description available]low00monocarboxylic acid
2-(4-formylphenoxy)acetic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester[no description available]low00monocarboxylic acid
2-[4-[2-(1-cyclohexenyl)ethylsulfamoyl]-2-methylphenoxy]acetic acid methyl ester[no description available]low00monocarboxylic acid
5-[4-(2-furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid[no description available]low00benzenes;
monocarboxylic acid
olivetolic acid[no description available]low00benzoic acids;
monocarboxylic acid;
polyketide;
resorcinols		metabolite
2-[2-chloro-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl ester[no description available]low00monocarboxylic acid
helvolic acid[no description available]low003-oxo-Delta(1) steroid;
acetate ester;
monocarboxylic acid;
steroid acid		antibacterial agent;
fungal metabolite;
mycotoxin
6-oxopiperidine-2-carboxylate[no description available]low00delta-lactam;
monocarboxylic acid		bacterial metabolite
3-sulfinopropionic acid[no description available]low00monocarboxylic acid;
organosulfinic acid
amibegron[no description available]low00monocarboxylic acid
ifetroban[no description available]low00benzenes;
monocarboxylic acid
chuangxinmycin[no description available]low00indole alkaloid;
monocarboxylic acid;
thiinoindole		antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor
5-hydroxydiclofenac[no description available]low00dichlorobenzene;
monocarboxylic acid;
phenols;
secondary amino compound		allergen;
drug metabolite
2-oxindole-3-acetic acid[no description available]low00indole-3-acetic acids;
monocarboxylic acid;
oxindoles		plant metabolite
2-(4-(2-carboxyethyl)phenethylamino)-5'-n-ethylcarboxamidoadenosine[no description available]low00adenosines;
dicarboxylic acid monoamide;
monocarboxylic acid		adenosine A2A receptor agonist;
anti-inflammatory agent
3-phenyl-3-(1-tetrazolyl)propanoic acid[no description available]low00benzenes;
monocarboxylic acid
gw 7647[no description available]low00aryl sulfide;
monocarboxylic acid;
ureas		PPARalpha agonist
l 663536[no description available]low00aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes		antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist
clopidogrel carboxylic acid[no description available]low00monocarboxylic acid;
monochlorobenzenes;
tertiary amino compound;
thienopyridine		drug metabolite;
marine xenobiotic metabolite
4-methylene-2-octyl-5-oxo-3-oxolanecarboxylic acid[no description available]low00gamma-lactone;
monocarboxylic acid;
tetrahydrofuranone
2-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-2-methoxyphenoxy]acetic acid[no description available]low00monocarboxylic acid
sm 21[no description available]low00monocarboxylic acid
2-[4-chloro-2-[3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid methyl ester[no description available]low00monocarboxylic acid
dinoprost[no description available]low00monocarboxylic acid;
prostaglandins Falpha		human metabolite;
mouse metabolite
montelukast[no description available]low00aliphatic sulfide;
monocarboxylic acid;
quinolines		anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist
sofalcone[no description available]low00aromatic ether;
chalcones;
monocarboxylic acid		anti-ulcer drug;
antibacterial agent;
gastrointestinal drug;
plant metabolite
16,16-dimethylprostaglandin e2[no description available]low00cyclopentanones;
monocarboxylic acid;
prostanoid;
secondary allylic alcohol		anti-ulcer drug;
gastrointestinal drug;
radiation protective agent
iloprost[no description available]low00carbobicyclic compound;
monocarboxylic acid;
secondary alcohol		platelet aggregation inhibitor;
vasodilator agent
rosmarinic acid[no description available]low00carboxylic ester;
monocarboxylic acid;
phenylpropanoid;
polyphenol		antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite;
serine proteinase inhibitor
13,14-dihydroretinoic acid[no description available]low00monocarboxylic acid;
retinoid
sulindac sulfide[no description available]low00aryl sulfide;
monocarboxylic acid;
organofluorine compound		antineoplastic agent;
apoptosis inducer;
non-steroidal anti-inflammatory drug
lasalocid[no description available]low00beta-hydroxy ketone;
monocarboxylic acid;
monohydroxybenzoic acid;
oxanes;
oxolanes;
polyether antibiotic;
secondary alcohol;
tertiary alcohol		bacterial metabolite;
coccidiostat;
ionophore
sulindac sulfone[no description available]low00monocarboxylic acid;
organofluorine compound;
sulfone		apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
clodinafop[no description available]low00aromatic ether;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
pyridines		EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
phenoxy herbicide
robenacoxib[no description available]low00aromatic amino acid;
monocarboxylic acid;
organofluorine compound;
phenylacetic acids;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
sdz eaa 494[no description available]low00monocarboxylic acid;
olefinic compound;
phosphonic acids;
piperazinecarboxylic acid;
tertiary amino compound		anticonvulsant;
neuroprotective agent;
NMDA receptor antagonist
valerenic acid[no description available]low00carbobicyclic compound;
monocarboxylic acid;
sesquiterpenoid		GABA modulator;
plant metabolite;
sedative;
volatile oil component
ici 215001[no description available]low00monocarboxylic acid
beraprost[no description available]low00enyne;
monocarboxylic acid;
organic heterotricyclic compound;
secondary alcohol;
secondary allylic alcohol		anti-inflammatory agent;
antihypertensive agent;
platelet aggregation inhibitor;
prostaglandin receptor agonist;
vasodilator agent
gemifloxacin[no description available]low001,8-naphthyridine derivative;
fluoroquinolone antibiotic;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
topoisomerase IV inhibitor
brl 37344[no description available]low00monocarboxylic acid
cp533536[no description available]low00monocarboxylic acid
mre 269[no description available]low00aromatic amine;
ether;
monocarboxylic acid;
pyrazines;
sulfonamide;
tertiary amino compound		drug metabolite;
orphan drug;
platelet aggregation inhibitor;
prostacyclin receptor agonist;
vasodilator agent
gw0742[no description available]low00monocarboxylic acid
4alpha-methylergosta-8,24(28)-dien-3,7,11-trione-26-oic acid[no description available]low0011-oxo steroid;
3-oxo steroid;
7-oxo steroid;
ergostanoid;
monocarboxylic acid;
steroid acid		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
carmine[no description available]low00C-glycosyl compound;
monocarboxylic acid;
tetrahydroxyanthraquinone		animal metabolite;
histological dye
ki16425[no description available]low00carbamate ester;
isoxazoles;
monocarboxylic acid;
monochlorobenzenes;
organic sulfide
myrsinoic acid b[no description available]low001-benzofurans;
monocarboxylic acid		anti-inflammatory agent;
EC 4.4.1.11 (methionine gamma-lyase) inhibitor;
metabolite
triptohypol C[no description available]low00benzenediols;
monocarboxylic acid;
pentacyclic triterpenoid		apoptosis inducer;
plant metabolite
artemisic acid[no description available]low00carbobicyclic compound;
monocarboxylic acid;
octahydronaphthalenes;
sesquiterpenoid		metabolite
tafamidis[no description available]low001,3-benzoxazoles;
dichlorobenzene;
monocarboxylic acid		central nervous system drug
dihydroartemisinic acid[no description available]low00carbobicyclic compound;
monocarboxylic acid;
octahydronaphthalenes;
sesquiterpenoid		plant metabolite
finafloxacin[no description available]low00cyclopropanes;
monocarboxylic acid;
nitrile;
organofluorine compound;
quinolone;
secondary amino compound;
tertiary amino compound		antibacterial drug;
antimicrobial agent
pyrostatin a[no description available]low001,4,5,6-tetrahydropyrimidines;
carboxamidine;
iminium betaine;
monocarboxylic acid;
secondary alcohol
roburic acid[no description available]low00monocarboxylic acid;
olefinic compound;
tetracyclic triterpenoid		plant metabolite
imidazoleacetic acid ribotide[no description available]low00imidazoles;
monocarboxylic acid;
N-glycosyl compound;
ribose monophosphate
vanchrobactin[no description available]low00catechols;
dipeptide;
guanidines;
monocarboxylic acid;
primary alcohol;
triol		bacterial metabolite;
marine metabolite;
siderophore
spongia-13(16),14-dien-19-oic acid[no description available]low00cyclic ether;
monocarboxylic acid;
tetracyclic diterpenoid		androgen antagonist;
metabolite
cathestatin b[no description available]low00dicarboxylic acid monoamide;
epoxide;
monocarboxylic acid;
phenols;
primary amino compound		antimicrobial agent;
cysteine protease inhibitor;
Penicillium metabolite
borrelidin[no description available]low00aliphatic nitrile;
diol;
macrolide;
monocarboxylic acid;
secondary alcohol		antifungal agent;
antimalarial;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite
germacra-1(10),4,11(13)-trien-12-oic acid[no description available]low00germacrane sesquiterpenoid;
monocarboxylic acid
ascr#5[no description available]low00monocarboxylic acid;
omega-hydroxy fatty acid ascaroside		Caenorhabditis elegans metabolite;
pheromone
tropodithietic acid[no description available]low00cyclic ketone;
monocarboxylic acid;
organic disulfide;
organic heterobicyclic compound;
organosulfur heterocyclic compound		antibacterial agent;
bacterial metabolite;
marine metabolite;
signalling molecule;
toxin
fumimycin[no description available]low001-benzofurans;
dicarboxylic acid monoamide;
gamma-lactone;
monocarboxylic acid;
polyphenol		antibacterial agent;
Aspergillus metabolite;
EC 3.5.1.88 (peptide deformylase) inhibitor
3alpha,12alpha-dihydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid[no description available]low0011-oxo steroid;
12alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
secondary alpha-hydroxy ketone;
steroid acid		antineoplastic agent;
metabolite
3alpha-hydroxy-4alpha-methylergosta-8,24(28)-dien-7,11-dione-26-oic acid[no description available]low0011-oxo steroid;
3alpha-hydroxy steroid;
7-oxo steroid;
monocarboxylic acid;
steroid acid		antineoplastic agent;
cholinergic antagonist;
metabolite;
serotonergic antagonist
lesinurad[no description available]low00aryl sulfide;
cyclopropanes;
monocarboxylic acid;
naphthalenes;
organobromine compound;
triazoles		uricosuric drug
saroglitazar[no description available]low00aromatic ether;
methyl sulfide;
monocarboxylic acid;
pyrroles		hypoglycemic agent;
PPARalpha agonist;
PPARgamma agonist
gsk2879552[no description available]low00benzenes;
benzoic acids;
cyclopropanes;
monocarboxylic acid;
piperidines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor
ConditionIndicatedRelationship StrengthStudiesTrials
Angioma, Sclerosing0low10
Benign Fibrous Histiocytoma0low10
Bladder Calculi0low10
Bladder Cancer0low120
Bladder Neoplasms0low120
Bladder Stones0low10
Bladder Tumors0low120
Body Weight0low20
Calculi of Urinary Bladder0low10
Cancer of Bladder0low120
Cancer of Lung0low10
Cancer of the Bladder0low120
Cancer of the Lung0low10
Carcinoma in Situ0low10
Carcinoma, Epidermoid0low10
Carcinoma, Intraepithelial0low10
Carcinoma, Planocellular0low10
Carcinoma, Preinvasive0low10
Carcinoma, Squamous0low10
Carcinoma, Squamous Cell0low10
Carcinoma, Transitional Cell0low10
Cystoliths0low10
Dermatofibroma0low10
Diathesis0low10
Disease Susceptibility0low10
EHS Tumor0low10
Experimental Neoplasms0low30
Experimental Sarcoma0low10
Experimental Sarcomas0low10
Hemangioma, Sclerosing0low10
Histiocytoma, Benign Fibrous0low10
Histiocytoma, Cutaneous0low10
Histiocytoma, Fibrous0low10
Hyperplasia0low20
Intraepithelial Neoplasms0low10
Lung Cancer0low10
Lung Neoplasms0low10
Malignant Tumor of Urinary Bladder0low120
Necrosis0low10
Neoplasms, Bladder0low120
Neoplasms, Experimental0low30
Neoplasms, Intraepithelial0low10
Neoplasms, Lung0low10
Neoplasms, Pulmonary0low10
Papilloma0low10
Papilloma, Squamous Cell0low10
Papillomatosis0low10
Pulmonary Cancer0low10
Pulmonary Neoplasms0low10
Sarcoma, Engelbreth-Holm-Swarm0low10
Sarcoma, Experimental0low10
Sarcoma, Jensen0low10
Sarcomas, Experimental0low10
Squamous Cell Carcinoma0low10
Susceptibility, Disease0low10
Urinary Bladder Calculi0low10
Urinary Bladder Cancer0low120
Urinary Bladder Neoplasms0low120
Urinary Bladder Stones0low10
Vesical Calculi0low10