Compounds > chenodeoxycholic acid
Page last updated: 2024-09-21

chenodeoxycholic acid

Description

Chenodeoxycholic Acid: A bile acid, usually conjugated with either glycine or taurine. It acts as a detergent to solubilize fats for intestinal absorption and is reabsorbed by the small intestine. It is used as cholagogue, a choleretic laxative, and to prevent or dissolve gallstones. [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

chenodeoxycholic acid : A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively. [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]

chenodeoxycholate : Conjugate base of chenodeoxycholic acid; major species at pH 7.3. [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]

FloraRankFlora DefinitionFamilyFamily Definition
GlycinegenusA non-essential amino acid. It is found primarily in gelatin and silk fibroin and used therapeutically as a nutrient. It is also a fast inhibitory neurotransmitter.[MeSH]FabaceaeThe large family of plants characterized by pods. Some are edible and some cause LATHYRISM or FAVISM and other forms of poisoning. Other species yield useful materials like gums from ACACIA and various LECTINS like PHYTOHEMAGGLUTININS from PHASEOLUS. Many of them harbor NITROGEN FIXATION bacteria on their roots. Many but not all species of beans belong to this family.[MeSH]

Cross-References

ID SourceID
PubMed CID10133
CHEMBL ID240597
CHEBI ID16755
SCHEMBL ID25055
MeSH IDM0004029

Synonyms (193)

Synonym
BIDD:PXR0056
smr000857194
MLS002154253
HY-76847
AB00513822-06
leadiant (formerly chenodeoxycholic acid sigma-tau)
gtpl608
CHEBI:16755 ,
anthropodesoxycholic acid
cdca
chenix
3alpha,7alpha-dihydroxy-5beta-cholan-24-oic acid
7alpha-hydroxylithocholic acid
chenorm
xenbilox
chenofalk
(3alpha,5beta,7alpha,8xi)-3,7-dihydroxycholan-24-oic acid
5-beta-cholan-24-oic acid, 3-alpha,7-alpha-dihydroxy-
henohol
3-alpha,7-alpha-dihydroxy-5-beta-cholan-24-oic acid
chendeoxycholic acid
(3beta,7beta,8xi,9xi,14xi,17alpha)-3,7-dihydroxycholan-24-oic acid
cholan-24-oic acid, 3,7-dihydroxy-, (3alpha,5beta,7alpha)-
acido chenodeoxicholico [inn-spanish]
nsc 657949
chenodiol [usan]
chenodesoxycholsaeure [german]
cholan-24-oic acid, 3,7-dihydroxy-, (3-alpha,5-beta,7-alpha)-
chenique acid
einecs 207-481-8
acide chenodeoxycholique [inn-french]
7-alpha-hydroxylithocholic acid
ccris 2195
acidum chenodeoxycholicum [inn-latin]
3-alpha,7-alpha-dihydroxycholanic acid
3-alpha,7-alpha-dihydroxycholansaeure [german]
nsc-657949
D00163
chenix (tn)
chenodeoxycholic acid (jp17/inn)
chenodiol (usan)
PRESTWICK2_000285
cas-474-25-9
NCGC00016387-02
SMP1_000064
PRESTWICK3_000285
BPBIO1_000210
BSPBIO_000190
AB00513822
bdbm21674
(4r)-4-[(1s,2s,5r,7s,9r,10r,11s,14r,15r)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid
chenodeoxycholic acid
474-25-9
C02528
chenodiol
3alpha,7alpha-dihydroxy-5beta-cholanic acid
chenodeoxycholate
anthropodeoxycholic acid
(4r)-4-[(3r,5s,7r,8r,9s,10s,13r,14s,17r)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid
cholan-24-oic acid, 3,7-dihydroxy-, (3-.alpha., 5-.beta., 7-.alpha.)-
chenic acid
gallodesoxycholic acid
chenodesoxycholic acid
anthropododesoxycholic acid
chendol
chenodeoxycholic acid, >=97%
jn3 ,
LMST04010032
SPECTRUM5_002009
chenodeoxycholic acid, free acid
PRESTWICK0_000285
PRESTWICK1_000285
SPBIO_002409
HSCI1_000210
NCGC00142400-03
acid, chenique
acid, chenic
acid, gallodesoxycholic
acid, chenodeoxycholic
C-2900
0DBBBC66-0CFA-4DB9-97F4-5B1492756A02
cholanorm
nsc-757798
chenocol
fluibil
CHEMBL240597
chenossil
DB06777
chenocholic acid
HMS1568J12
NCGC00142400-04
HMS2095J12
ec 207-481-8
acide chenodeoxycholique
unii-0gei24lg0j
chenodeoxycholic acid [inn]
3-alpha,7-alpha-dihydroxycholansaeure
chenodesoxycholsaeure
acidum chenodeoxycholicum
0gei24lg0j ,
acido chenodeoxicholico
(4r)-4-[(1r,3as,3br,4r,5as,7r,9as,9bs,11ar)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1h-cyclopenta[a]phenanthren-1-yl]pentanoic acid
EN300-75328
NCGC00258045-01
tox21_200491
A827222
3,7-dihydroxy-5-cholanicacid
5beta-cholanic acid-3alpha,7alpha-diol
cholan-24-oic acid, 3,7-dihydroxy-, (3-alpha,5-beta,7-alpha)- (9ci)
BMSE000908
chenodeoxycholic acid (jp16/inn)
dtxcid40260
tox21_110412
dtxsid2020260 ,
HMS2234I22
(4r)-4-((1s,2s,7s,11s,5r,9r,10r,14r,15r)-5,9-dihydroxy-2,15-dimethyltetracyclo [8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoic acid
chenodal
chenodiol [orange book]
ursodeoxycholic acid impurity a [ep impurity]
cholan-24-oic acid, 3,7-dihydroxy-, (3.alpha.,5.beta.,7.alpha.)
chenodeoxycholic acid [who-dd]
chenodeoxycholic acid [jan]
chenodeoxycholic acid [ep impurity]
chenodiol [vandf]
chenodeoxycholic acid [mart.]
chenodiol [mi]
chenodeoxycholic acid [ep monograph]
CS-0834
CCG-220285
SCHEMBL25055
3.alpha.,7.alpha.-dihydroxy-5.beta.-cholanoic acid
chenocedon
cholan-24-oic acid, 3,7-dihydroxy-, (3.alpha.,5.beta.,7.alpha.)-
3,7-dihydroxycholan-24-oic acid, (3.alpha.,5.beta.,7.alpha.)- #
3.alpha.,7.alpha.-dihydroxy-5.beta.-cholan-24-oic acid
chendal
7.alpha.-hydroxylithocholic acid
3.alpha.,7.alpha.-dihydroxy-5.beta.-cholanic acid
hekbilin
chenodex
kebilis
5.beta.-cholan-24-oic acid, 3.alpha.,7.alpha.-dihydroxy-
3.alpha.,7.alpha.-dihydroxycholanic acid
3.alpha.,7.alpha.-dihydroxycholansaeure
dihydroxy-3.alpha.,7.alpha.(5.beta.)cholanic acid
3alpha, 7alpha,-dihydroxy-5beta-cholanic acid
3alpha, 7alpha-dihydroxy-5beta-cholanoic acid
AKOS024280614
cholan-24-oic acid, 3,7-dihydroxy-, (3a,5b,7a)-
(r)-4-((3r,5s,7r,8r,9s,10s,13r,14s,17r)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoic acid
AB00513822_07
mfcd00064142
chenodeoxycholic acid, european pharmacopoeia (ep) reference standard
chenodeoxycholic acid, 500 mug/ml in methanol, certified reference material
(3alpha,5beta,7alpha)-3,7-dihydroxycholan-24-oic acid
(4r)-4-[(1s,2s,5r,7s,9r,10r,11s,14r,15r)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0?,?.0??,??]heptadecan-14-yl]pentanoic acid
HMS3712J12
(3a,5b,7a)-3,7-dihydroxy-cholan-24-oic acid
3a,7a-dihydroxy-5b-cholanic acid
3a,7a-dihydroxy-5b-cholan-24-oic acid
3a,7a-dihydroxy-5b-cholanate
(+)-chenodeoxycholate
(+)-chenodeoxycholic acid
3a,7a-dihydroxy-5b,14a,17b-cholanic acid
7a-hydroxy-desoxycholsaeure
(3a,5b,7a)-3,7-dihydroxy-cholan-24-oate
3a,7a-dihydroxy-5b-cholan-24-oate
3a,7a-dihydroxy-5b,14a,17b-cholanate
'(3alpha,5alpha,7beta,8alpha,17alpha)-3,7-dihydroxycholan-24-oic acid'
(3alpha,5alpha,7beta,8alpha,17alpha)-3,7-dihydroxycholan-24-oic acid
S1843
24404-86-2
AS-13636
Q419028
BRD-K18135438-001-16-7
chenodeoxycholic-acid
(4r)-4-[(3r,5s,7r,8r,9s,10s,13r,14s,17r)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoicacid
NCGC00142400-08
acido chenodesossicolico
acidum chenodeoxycholicum (inn-latin)
acide chenodeoxycholique (inn-french)
a05aa01
3alpha,7alpha-dihydroxycholanic acid
chenodeoxycholic acid (ep monograph)
acido chenodeoxicholico (inn-spanish)
acido quenodeoxicolico
acide chenodesoxycholique
chanodasoxycholique (acide)
chenodeoxycholic acid (ep impurity)
chenodeoxycholic acid (mart.)
ursodeoxycholic acid impurity a (ep impurity)
cholan-24-oic acid, 3,7-dihydroxy-, (3alpha,5beta,7alpha)
Z1172235745

Research Excerpts

Overview

ExcerptReference
"Chenodeoxycholic acid (CDCA) is a natural germination inhibitor for C. "( Abel-Santos, E; Firestine, SM; Phan, J; Sharma, SK; Simon, MP; Yip, C, 2021)
"Chenodeoxycholic acid (CDCA) is a liver-formed detergent and plays an important role in the control of cholesterol homeostasis. "( Barbier, O; Bélanger, J; Caron, P; Grepper, S; Inaba, TT; Kaeding, J; Monté, D; Trottier, J; Verreault, M, 2006)
"Chenodeoxycholic acid (CDCA) is an effective treatment for dissolving gallstones but experimental studies have suggested that it might be hepatotoxic. "( Giampieri, MP; Jezequel, AM; Koch, MM; Lorenzini, I; Orlandi, F, 1980)
"Chenodeoxycholic acid (CDCA) is a potent suppressor of the cholesterol 7alpha-hydroxylase, the rate-determining enzyme in bile acid formation."( Axelson, M; Einarsson, C; Hillebrant, CG, 2001)
"Chenodeoxycholic acid is an important drug for the treatment of cholesterol cholelithiasis in man. "( Chen, T; Dyrszka, H; Mosbach, EH; Salen, G, 1975)

Effects

ExcerptReference
"Chenodeoxycholic acid has a broad influence on lipid metabolism, including reducing plasma clearance of LDL. "( Angelin, B; Eriksson, M; Ghosh Laskar, M; Rudling, M, 2017)
"Chenodeoxycholic acid has a broad influence on lipid metabolism, including reducing plasma clearance of LDL. "( Angelin, B; Eriksson, M; Ghosh Laskar, M; Rudling, M, 2017)
"Chenodeoxycholic acid has been administered to 50 patients with cholelithiasis and 8 with choledocholithiasis for a period of 15 months at doses varying between 2- and 15 mg/kg/day. "( Aldini, R; Barbara, L; Festi, D; Mazzella, G; Roda, A; Roda, E; Sama, C, 1976)

Treatment

ExcerptReference
"Chenodeoxycholic acid treatment increased plasma LDL cholesterol by ~10% as a result of reduced clearance of plasma LDL-apolipoprotein (apo)B; LDL production was somewhat reduced. "( Angelin, B; Eriksson, M; Ghosh Laskar, M; Rudling, M, 2017)
"Chenodeoxycholic acid (CDCA) treatment stabilized chimeric GFP-LDLR 3'-UTR mRNA and accompanied mitogen-activated protein kinase (MAPK) activation."( Inoue, J; Sato, R; Shimizu, M; Yashiro, T; Yokoi, Y, 2011)
"Chenodeoxycholic acid treatment was effective in improving liver function and decreasing unusual bile acids such as 7α-hydroxy- and 7α,12α-dihydroxy-3-oxo-4-cholen-24-oic acids in serum and urine."( Hasegawa, T; Hayashi, S; Homma, K; Hoshina, T; Ihara, K; Kimura, A; Kurosawa, T; Matsuishi, T; Mizuochi, T; Morimura, T; Nittono, H; Ohno, Y; Ohtake, A; Seki, Y; Takahashi, T; Takei, H, 2013)
"Chenodeoxycholic acid (CDCA) treatment specifically decreased both PCSK9 mRNA and protein contents."( Cariou, B; Caron, S; Costet, P; Kourimate, S; Krempf, M; Langhi, C; Le May, C; Staels, B, 2008)
"Chenodeoxycholic acid treatment resulted in a significant lowering of the serum triglycerides in both groups of patients."( Camarri, E; Marcolongo, R; Marini, G; Zaccherotti, L, 1978)
"Chenodeoxycholic acid treatment for periods ranging from 6 months to 3 years and 4 months lowered serum lathosterol (57.7% reduction) and campesterol (57.8%) levels in parallel with cholestanol (70.8%) level, but the sitosterol level (19.7%) decreased less."( Fujiyama, J; Kasama, T; Kuriyama, M; Osame, M, 1991)
"Chenodeoxycholic acid treatment for two separate periods of 10 and 6 months each increased nerve conduction velocity."( Donaghy, M; King, RH; McKeran, RO; Schwartz, MS; Thomas, PK, 1990)
"Chenodeoxycholic acid treatment lowered biliary cholesterol saturation in obese gallstone patients by reducing biliary cholesterol secretion."( Dowling, RH; Maton, PN; Murphy, GM; Reuben, A, 1985)
"Treatment with chenodeoxycholic acid (CDCA; chenodiol) is the current standard of care."( Salen, G; Steiner, RD, 2017)
"Treatment with chenodeoxycholic acid (CDCA) may slow the progression of the disease and reverse some symptoms in a proportion of patients."( Bartkiewicz, J; Biskup, S; Catarino, CB; Gallenmüller, C; Hörtnagel, K; Klopstock, T; Küpper, C; Seelos, K; Vollmar, C, 2018)
"Treatment with chenodeoxycholic acid normalizes cholestanol concentrations and abrogates progression of the disease."( Aaref, S; Berginer, VM; Falik-Zaccai, TC; Gross, B; Kfir, N; Morad, K; Morkos, S, 2009)
"Treatment with chenodeoxycholic acid resulted in a 40% reduction of HMG CoA reductase activity."( Ahlberg, J; Angelin, B; Einarsson, K, 1981)
"Treatment with chenodeoxycholic acid was tried on two occasions."( Casteels, M; Clayton, PT; Lawson, AM; Mieli-Vergani, G, 1995)
"Treatment with chenodeoxycholic acid (CDCA) 750 mg/day orally improved neurological and biochemical abnormalities."( Berginer, J; Berginer, VM; Korczyn, AD; Tadmor, R, 1994)
"Oral treatment with chenodeoxycholic acid causes dissolution of cholesterol gallstones in man. "( Hofmann, AF; LaRusso, NF; Northfield, TC; Thistle, JL, 1975)
"Treatment with chenodeoxycholic acid led to clinical and biochemical improvement in one patient."( Clayton, PT; Horslen, SP; Lawson, AM; Malone, M, 1992)
"Treatment with chenodeoxycholic acid resulted in marked clinical improvement and normalized liver function tests."( Baginski, ES; Clayton, PT; Egestad, B; Ichimiya, H; Nazer, H; Sjövall, J, 1991)
"Treatment with chenodeoxycholic acid reduced cerebrospinal fluid cholesterol by 34 percent and cholestanol threefold."( Berginer, V; Horak, E; Horak, I; Salen, G; Shefer, S; Shore, V; Tint, GS, 1987)
"Treatment with chenodeoxycholic acid, which suppresses abnormal bile acid synthesis in these patients, reduced plasma bile alcohol concentrations dramatically."( Batta, AK; Batta, M; Salen, G; Shefer, S; Tint, GS, 1987)
"Treatment with chenodeoxycholic acid, 15 mg per kg body weight per day for 3-4 weeks before surgery, decreased the mean level to 20 +/- 7 ng/ml (P greater than 0.05)."( Akerlund, JE; Angelin, B; Björkhem, I; Einarsson, K; Ewerth, S; Reihnér, E, 1987)
"Treatment with chenodeoxycholic acid (0.5-1.5 g/day by mouth) did not change serum cholesterol levels but did significantly reduce serum triglyceride concentrations from a pretreatment level of 118 (+/- S.E."( Bell, GD; Dowling, RH; Lewis, B; Petrie, A, 1973)

Roles (2)

RoleDescription
human metaboliteAny mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metaboliteAny mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
[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 (3)

ClassDescription
bile acidAny member of a group of hydroxy-5beta-cholanic acids occuring in bile, where they are present as the sodium salts of their amides with glycine or taurine. In mammals bile acids almost invariably have 5beta-configuration.
dihydroxy-5beta-cholanic acidA hydroxy-5beta-cholanic acid carrying two hydroxy groups at unspecified positions.
C24-steroidA steroid compound with a structure based on a 24-carbon (cholane) skeleton.
[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]

Pathways (9)

chenodeoxycholic acid is involved in 9 pathway(s), involving a total of 157 unique proteins and 924 unique compounds

PathwayProteinsCompounds
Bile Acid Biosynthesis1761
Congenital Bile Acid Synthesis Defect Type II1761
Congenital Bile Acid Synthesis Defect Type III1761
Familial Hypercholanemia (FHCA)1761
Zellweger Syndrome1761
Cerebrotendinous Xanthomatosis (CTX)1761
27-Hydroxylase Deficiency1761
Biochemical pathways: part I0466
Oxysterols derived from cholesterol3831

Protein Targets (37)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
LuciferasePhotinus pyralis (common eastern firefly)Potency79.90070.007215.758889.3584AID1224835
RAR-related orphan receptor gammaMus musculus (house mouse)Potency57.98300.006038.004119,952.5996AID1159521; AID1159523
SMAD family member 2Homo sapiens (human)Potency43.77470.173734.304761.8120AID1346859
SMAD family member 3Homo sapiens (human)Potency43.77470.173734.304761.8120AID1346859
TDP1 proteinHomo sapiens (human)Potency15.68120.000811.382244.6684AID686978; AID686979
AR proteinHomo sapiens (human)Potency30.98610.000221.22318,912.5098AID743035; AID743040; AID743042; AID743054; AID743063
caspase 7, apoptosis-related cysteine proteaseHomo sapiens (human)Potency68.79890.013326.981070.7614AID1346978
nuclear receptor subfamily 1, group I, member 3Homo sapiens (human)Potency56.87160.001022.650876.6163AID1224838; AID1224839
cytochrome P450 family 3 subfamily A polypeptide 4Homo sapiens (human)Potency33.78580.01237.983543.2770AID1645841
glucocorticoid receptor [Homo sapiens]Homo sapiens (human)Potency61.83340.000214.376460.0339AID720692
retinoic acid nuclear receptor alpha variant 1Homo sapiens (human)Potency19.39020.003041.611522,387.1992AID1159552; AID1159555
retinoid X nuclear receptor alphaHomo sapiens (human)Potency19.55340.000817.505159.3239AID1159527; AID1159531
estrogen-related nuclear receptor alphaHomo sapiens (human)Potency49.96900.001530.607315,848.9004AID1224841; AID1224842; AID1224848; AID1224849; AID1259401
farnesoid X nuclear receptorHomo sapiens (human)Potency24.15290.375827.485161.6524AID743220; AID743239
estrogen nuclear receptor alphaHomo sapiens (human)Potency36.57870.000229.305416,493.5996AID743069; AID743075; AID743078
peroxisome proliferator-activated receptor deltaHomo sapiens (human)Potency27.62000.001024.504861.6448AID743212; AID743215
peroxisome proliferator activated receptor gammaHomo sapiens (human)Potency20.74140.001019.414170.9645AID743094; AID743140; AID743191
vitamin D (1,25- dihydroxyvitamin D3) receptorHomo sapiens (human)Potency41.39440.023723.228263.5986AID743222; AID743223
caspase-3Homo sapiens (human)Potency68.79890.013326.981070.7614AID1346978
v-jun sarcoma virus 17 oncogene homolog (avian)Homo sapiens (human)Potency58.37450.057821.109761.2679AID1159528
Caspase-7Cricetulus griseus (Chinese hamster)Potency68.79890.006723.496068.5896AID1346980
chromobox protein homolog 1Homo sapiens (human)Potency100.00000.006026.168889.1251AID540317
caspase-3Cricetulus griseus (Chinese hamster)Potency68.79890.006723.496068.5896AID1346980
nuclear factor erythroid 2-related factor 2 isoform 1Homo sapiens (human)Potency51.67740.000627.21521,122.0200AID743202; AID743219
Cellular tumor antigen p53Homo sapiens (human)Potency70.83720.002319.595674.0614AID651631; AID720552
Guanine nucleotide-binding protein GHomo sapiens (human)Potency31.62281.995325.532750.1187AID624288
TAR DNA-binding protein 43Homo sapiens (human)Potency22.38721.778316.208135.4813AID652104
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Bile salt export pumpHomo sapiens (human)IC50 (µMol)10.60000.11007.190310.0000AID1443986
Vitamin D3 receptorHomo sapiens (human)IC50 (µMol)100.00000.00000.43746.4300AID1277414; AID1277417
Ileal sodium/bile acid cotransporterHomo sapiens (human)Ki3.30003.30006.400010.0000AID681332
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Alpha-2A adrenergic receptorHomo sapiens (human)EC50 (µMol)6.71000.00080.37336.7100AID297450
Vitamin D3 receptorHomo sapiens (human)EC50 (µMol)150.00000.00000.14232.1400AID1277413; AID1277415
Alpha-2B adrenergic receptorHomo sapiens (human)EC50 (µMol)6.71000.00051.36446.7100AID297450
Alpha-2C adrenergic receptorHomo sapiens (human)EC50 (µMol)6.71000.00050.55416.7100AID297450
Retinoic acid receptor RXR-alphaMus musculus (house mouse)EC50 (µMol)16.80000.04001.71805.0000AID629094
Bile acid receptorMus musculus (house mouse)EC50 (µMol)16.80000.15202.04315.0000AID629094; AID635573
G-protein coupled bile acid receptor 1Homo sapiens (human)EC50 (µMol)15.48200.02372.52598.9000AID1059690; AID1193333; AID1569580; AID1569582; AID1686017; AID1798108; AID297450; AID324923; AID592917; AID673744
Bile acid receptorHomo sapiens (human)EC50 (µMol)13.38060.00401.419110.0000AID1166181; AID1232938; AID1305701; AID1313848; AID1349338; AID1351287; AID1413747; AID1446797; AID1546885; AID1576216; AID1633315; AID1686015; AID1798109; AID1798115; AID1799080; AID240134; AID240176; AID240314; AID265705; AID267784; AID294203; AID297451; AID324925; AID388376; AID441572; AID592913; AID629055; AID662692; AID673746; AID72525; AID72526; AID72531
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (281)

Processvia Protein(s)Taxonomy
fatty acid metabolic processBile salt export pumpHomo sapiens (human)
bile acid biosynthetic processBile salt export pumpHomo sapiens (human)
xenobiotic metabolic processBile salt export pumpHomo sapiens (human)
xenobiotic transmembrane transportBile salt export pumpHomo sapiens (human)
response to oxidative stressBile salt export pumpHomo sapiens (human)
bile acid metabolic processBile salt export pumpHomo sapiens (human)
response to organic cyclic compoundBile salt export pumpHomo sapiens (human)
bile acid and bile salt transportBile salt export pumpHomo sapiens (human)
canalicular bile acid transportBile salt export pumpHomo sapiens (human)
protein ubiquitinationBile salt export pumpHomo sapiens (human)
regulation of fatty acid beta-oxidationBile salt export pumpHomo sapiens (human)
carbohydrate transmembrane transportBile salt export pumpHomo sapiens (human)
bile acid signaling pathwayBile salt export pumpHomo sapiens (human)
cholesterol homeostasisBile salt export pumpHomo sapiens (human)
response to estrogenBile salt export pumpHomo sapiens (human)
response to ethanolBile salt export pumpHomo sapiens (human)
xenobiotic export from cellBile salt export pumpHomo sapiens (human)
lipid homeostasisBile salt export pumpHomo sapiens (human)
phospholipid homeostasisBile salt export pumpHomo sapiens (human)
positive regulation of bile acid secretionBile salt export pumpHomo sapiens (human)
regulation of bile acid metabolic processBile salt export pumpHomo sapiens (human)
transmembrane transportBile salt export pumpHomo sapiens (human)
negative regulation of cell population proliferationCellular tumor antigen p53Homo sapiens (human)
regulation of cell cycleCellular tumor antigen p53Homo sapiens (human)
regulation of cell cycle G2/M phase transitionCellular tumor antigen p53Homo sapiens (human)
DNA damage responseCellular tumor antigen p53Homo sapiens (human)
ER overload responseCellular tumor antigen p53Homo sapiens (human)
cellular response to glucose starvationCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
regulation of apoptotic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of transcription by RNA polymerase IICellular tumor antigen p53Homo sapiens (human)
positive regulation of miRNA transcriptionCellular tumor antigen p53Homo sapiens (human)
negative regulation of transcription by RNA polymerase IICellular tumor antigen p53Homo sapiens (human)
mitophagyCellular tumor antigen p53Homo sapiens (human)
in utero embryonic developmentCellular tumor antigen p53Homo sapiens (human)
somitogenesisCellular tumor antigen p53Homo sapiens (human)
release of cytochrome c from mitochondriaCellular tumor antigen p53Homo sapiens (human)
hematopoietic progenitor cell differentiationCellular tumor antigen p53Homo sapiens (human)
T cell proliferation involved in immune responseCellular tumor antigen p53Homo sapiens (human)
B cell lineage commitmentCellular tumor antigen p53Homo sapiens (human)
T cell lineage commitmentCellular tumor antigen p53Homo sapiens (human)
response to ischemiaCellular tumor antigen p53Homo sapiens (human)
nucleotide-excision repairCellular tumor antigen p53Homo sapiens (human)
double-strand break repairCellular tumor antigen p53Homo sapiens (human)
regulation of DNA-templated transcriptionCellular tumor antigen p53Homo sapiens (human)
regulation of transcription by RNA polymerase IICellular tumor antigen p53Homo sapiens (human)
protein import into nucleusCellular tumor antigen p53Homo sapiens (human)
autophagyCellular tumor antigen p53Homo sapiens (human)
DNA damage responseCellular tumor antigen p53Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in cell cycle arrestCellular tumor antigen p53Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediator resulting in transcription of p21 class mediatorCellular tumor antigen p53Homo sapiens (human)
transforming growth factor beta receptor signaling pathwayCellular tumor antigen p53Homo sapiens (human)
Ras protein signal transductionCellular tumor antigen p53Homo sapiens (human)
gastrulationCellular tumor antigen p53Homo sapiens (human)
neuroblast proliferationCellular tumor antigen p53Homo sapiens (human)
negative regulation of neuroblast proliferationCellular tumor antigen p53Homo sapiens (human)
protein localizationCellular tumor antigen p53Homo sapiens (human)
negative regulation of DNA replicationCellular tumor antigen p53Homo sapiens (human)
negative regulation of cell population proliferationCellular tumor antigen p53Homo sapiens (human)
determination of adult lifespanCellular tumor antigen p53Homo sapiens (human)
mRNA transcriptionCellular tumor antigen p53Homo sapiens (human)
rRNA transcriptionCellular tumor antigen p53Homo sapiens (human)
response to salt stressCellular tumor antigen p53Homo sapiens (human)
response to inorganic substanceCellular tumor antigen p53Homo sapiens (human)
response to X-rayCellular tumor antigen p53Homo sapiens (human)
response to gamma radiationCellular tumor antigen p53Homo sapiens (human)
positive regulation of gene expressionCellular tumor antigen p53Homo sapiens (human)
cardiac muscle cell apoptotic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of cardiac muscle cell apoptotic processCellular tumor antigen p53Homo sapiens (human)
glial cell proliferationCellular tumor antigen p53Homo sapiens (human)
viral processCellular tumor antigen p53Homo sapiens (human)
glucose catabolic process to lactate via pyruvateCellular tumor antigen p53Homo sapiens (human)
cerebellum developmentCellular tumor antigen p53Homo sapiens (human)
negative regulation of cell growthCellular tumor antigen p53Homo sapiens (human)
DNA damage response, signal transduction by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
negative regulation of transforming growth factor beta receptor signaling pathwayCellular tumor antigen p53Homo sapiens (human)
mitotic G1 DNA damage checkpoint signalingCellular tumor antigen p53Homo sapiens (human)
negative regulation of telomere maintenance via telomeraseCellular tumor antigen p53Homo sapiens (human)
T cell differentiation in thymusCellular tumor antigen p53Homo sapiens (human)
tumor necrosis factor-mediated signaling pathwayCellular tumor antigen p53Homo sapiens (human)
regulation of tissue remodelingCellular tumor antigen p53Homo sapiens (human)
cellular response to UVCellular tumor antigen p53Homo sapiens (human)
multicellular organism growthCellular tumor antigen p53Homo sapiens (human)
positive regulation of mitochondrial membrane permeabilityCellular tumor antigen p53Homo sapiens (human)
cellular response to glucose starvationCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to DNA damage by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
positive regulation of apoptotic processCellular tumor antigen p53Homo sapiens (human)
negative regulation of apoptotic processCellular tumor antigen p53Homo sapiens (human)
entrainment of circadian clock by photoperiodCellular tumor antigen p53Homo sapiens (human)
mitochondrial DNA repairCellular tumor antigen p53Homo sapiens (human)
regulation of DNA damage response, signal transduction by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
positive regulation of neuron apoptotic processCellular tumor antigen p53Homo sapiens (human)
transcription initiation-coupled chromatin remodelingCellular tumor antigen p53Homo sapiens (human)
negative regulation of proteolysisCellular tumor antigen p53Homo sapiens (human)
negative regulation of DNA-templated transcriptionCellular tumor antigen p53Homo sapiens (human)
positive regulation of DNA-templated transcriptionCellular tumor antigen p53Homo sapiens (human)
positive regulation of RNA polymerase II transcription preinitiation complex assemblyCellular tumor antigen p53Homo sapiens (human)
positive regulation of transcription by RNA polymerase IICellular tumor antigen p53Homo sapiens (human)
response to antibioticCellular tumor antigen p53Homo sapiens (human)
fibroblast proliferationCellular tumor antigen p53Homo sapiens (human)
negative regulation of fibroblast proliferationCellular tumor antigen p53Homo sapiens (human)
circadian behaviorCellular tumor antigen p53Homo sapiens (human)
bone marrow developmentCellular tumor antigen p53Homo sapiens (human)
embryonic organ developmentCellular tumor antigen p53Homo sapiens (human)
positive regulation of peptidyl-tyrosine phosphorylationCellular tumor antigen p53Homo sapiens (human)
protein stabilizationCellular tumor antigen p53Homo sapiens (human)
negative regulation of helicase activityCellular tumor antigen p53Homo sapiens (human)
protein tetramerizationCellular tumor antigen p53Homo sapiens (human)
chromosome organizationCellular tumor antigen p53Homo sapiens (human)
neuron apoptotic processCellular tumor antigen p53Homo sapiens (human)
regulation of cell cycleCellular tumor antigen p53Homo sapiens (human)
hematopoietic stem cell differentiationCellular tumor antigen p53Homo sapiens (human)
negative regulation of glial cell proliferationCellular tumor antigen p53Homo sapiens (human)
type II interferon-mediated signaling pathwayCellular tumor antigen p53Homo sapiens (human)
cardiac septum morphogenesisCellular tumor antigen p53Homo sapiens (human)
positive regulation of programmed necrotic cell deathCellular tumor antigen p53Homo sapiens (human)
protein-containing complex assemblyCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to endoplasmic reticulum stressCellular tumor antigen p53Homo sapiens (human)
thymocyte apoptotic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of thymocyte apoptotic processCellular tumor antigen p53Homo sapiens (human)
necroptotic processCellular tumor antigen p53Homo sapiens (human)
cellular response to hypoxiaCellular tumor antigen p53Homo sapiens (human)
cellular response to xenobiotic stimulusCellular tumor antigen p53Homo sapiens (human)
cellular response to ionizing radiationCellular tumor antigen p53Homo sapiens (human)
cellular response to gamma radiationCellular tumor antigen p53Homo sapiens (human)
cellular response to UV-CCellular tumor antigen p53Homo sapiens (human)
stem cell proliferationCellular tumor antigen p53Homo sapiens (human)
signal transduction by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
reactive oxygen species metabolic processCellular tumor antigen p53Homo sapiens (human)
cellular response to actinomycin DCellular tumor antigen p53Homo sapiens (human)
positive regulation of release of cytochrome c from mitochondriaCellular tumor antigen p53Homo sapiens (human)
cellular senescenceCellular tumor antigen p53Homo sapiens (human)
replicative senescenceCellular tumor antigen p53Homo sapiens (human)
oxidative stress-induced premature senescenceCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathwayCellular tumor antigen p53Homo sapiens (human)
oligodendrocyte apoptotic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of execution phase of apoptosisCellular tumor antigen p53Homo sapiens (human)
negative regulation of mitophagyCellular tumor antigen p53Homo sapiens (human)
regulation of mitochondrial membrane permeability involved in apoptotic processCellular tumor antigen p53Homo sapiens (human)
regulation of intrinsic apoptotic signaling pathway by p53 class mediatorCellular tumor antigen p53Homo sapiens (human)
positive regulation of miRNA transcriptionCellular tumor antigen p53Homo sapiens (human)
negative regulation of G1 to G0 transitionCellular tumor antigen p53Homo sapiens (human)
negative regulation of miRNA processingCellular tumor antigen p53Homo sapiens (human)
negative regulation of glucose catabolic process to lactate via pyruvateCellular tumor antigen p53Homo sapiens (human)
negative regulation of pentose-phosphate shuntCellular tumor antigen p53Homo sapiens (human)
intrinsic apoptotic signaling pathway in response to hypoxiaCellular tumor antigen p53Homo sapiens (human)
regulation of fibroblast apoptotic processCellular tumor antigen p53Homo sapiens (human)
negative regulation of reactive oxygen species metabolic processCellular tumor antigen p53Homo sapiens (human)
positive regulation of reactive oxygen species metabolic processCellular tumor antigen p53Homo sapiens (human)
negative regulation of stem cell proliferationCellular tumor antigen p53Homo sapiens (human)
positive regulation of cellular senescenceCellular tumor antigen p53Homo sapiens (human)
positive regulation of intrinsic apoptotic signaling pathwayCellular tumor antigen p53Homo sapiens (human)
positive regulation of cytokine productionAlpha-2A adrenergic receptorHomo sapiens (human)
DNA replicationAlpha-2A adrenergic receptorHomo sapiens (human)
G protein-coupled receptor signaling pathwayAlpha-2A adrenergic receptorHomo sapiens (human)
adenylate cyclase-activating G protein-coupled receptor signaling pathwayAlpha-2A adrenergic receptorHomo sapiens (human)
adenylate cyclase-inhibiting G protein-coupled receptor signaling pathwayAlpha-2A adrenergic receptorHomo sapiens (human)
Ras protein signal transductionAlpha-2A adrenergic receptorHomo sapiens (human)
Rho protein signal transductionAlpha-2A adrenergic receptorHomo sapiens (human)
female pregnancyAlpha-2A adrenergic receptorHomo sapiens (human)
positive regulation of cell population proliferationAlpha-2A adrenergic receptorHomo sapiens (human)
negative regulation of norepinephrine secretionAlpha-2A adrenergic receptorHomo sapiens (human)
regulation of vasoconstrictionAlpha-2A adrenergic receptorHomo sapiens (human)
actin cytoskeleton organizationAlpha-2A adrenergic receptorHomo sapiens (human)
platelet activationAlpha-2A adrenergic receptorHomo sapiens (human)
positive regulation of cell migrationAlpha-2A adrenergic receptorHomo sapiens (human)
activation of protein kinase activityAlpha-2A adrenergic receptorHomo sapiens (human)
activation of protein kinase B activityAlpha-2A adrenergic receptorHomo sapiens (human)
negative regulation of epinephrine secretionAlpha-2A adrenergic receptorHomo sapiens (human)
cellular response to hormone stimulusAlpha-2A adrenergic receptorHomo sapiens (human)
receptor transactivationAlpha-2A adrenergic receptorHomo sapiens (human)
vasodilationAlpha-2A adrenergic receptorHomo sapiens (human)
glucose homeostasisAlpha-2A adrenergic receptorHomo sapiens (human)
fear responseAlpha-2A adrenergic receptorHomo sapiens (human)
positive regulation of potassium ion transportAlpha-2A adrenergic receptorHomo sapiens (human)
positive regulation of MAP kinase activityAlpha-2A adrenergic receptorHomo sapiens (human)
positive regulation of MAPK cascadeAlpha-2A adrenergic receptorHomo sapiens (human)
positive regulation of epidermal growth factor receptor signaling pathwayAlpha-2A adrenergic receptorHomo sapiens (human)
negative regulation of calcium ion-dependent exocytosisAlpha-2A adrenergic receptorHomo sapiens (human)
negative regulation of insulin secretionAlpha-2A adrenergic receptorHomo sapiens (human)
intestinal absorptionAlpha-2A adrenergic receptorHomo sapiens (human)
thermoceptionAlpha-2A adrenergic receptorHomo sapiens (human)
negative regulation of lipid catabolic processAlpha-2A adrenergic receptorHomo sapiens (human)
positive regulation of membrane protein ectodomain proteolysisAlpha-2A adrenergic receptorHomo sapiens (human)
negative regulation of calcium ion transportAlpha-2A adrenergic receptorHomo sapiens (human)
negative regulation of insulin secretion involved in cellular response to glucose stimulusAlpha-2A adrenergic receptorHomo sapiens (human)
negative regulation of uterine smooth muscle contractionAlpha-2A adrenergic receptorHomo sapiens (human)
adrenergic receptor signaling pathwayAlpha-2A adrenergic receptorHomo sapiens (human)
adenylate cyclase-activating adrenergic receptor signaling pathwayAlpha-2A adrenergic receptorHomo sapiens (human)
adenylate cyclase-inhibiting adrenergic receptor signaling pathwayAlpha-2A adrenergic receptorHomo sapiens (human)
phospholipase C-activating adrenergic receptor signaling pathwayAlpha-2A adrenergic receptorHomo sapiens (human)
positive regulation of wound healingAlpha-2A adrenergic receptorHomo sapiens (human)
presynaptic modulation of chemical synaptic transmissionAlpha-2A adrenergic receptorHomo sapiens (human)
negative regulation of calcium ion transmembrane transporter activityAlpha-2A adrenergic receptorHomo sapiens (human)
negative regulation of DNA-templated transcriptionVitamin D3 receptorHomo sapiens (human)
negative regulation of transcription by RNA polymerase IIVitamin D3 receptorHomo sapiens (human)
cell morphogenesisVitamin D3 receptorHomo sapiens (human)
skeletal system developmentVitamin D3 receptorHomo sapiens (human)
calcium ion transportVitamin D3 receptorHomo sapiens (human)
intracellular calcium ion homeostasisVitamin D3 receptorHomo sapiens (human)
lactationVitamin D3 receptorHomo sapiens (human)
negative regulation of cell population proliferationVitamin D3 receptorHomo sapiens (human)
positive regulation of gene expressionVitamin D3 receptorHomo sapiens (human)
negative regulation of keratinocyte proliferationVitamin D3 receptorHomo sapiens (human)
positive regulation of vitamin D 24-hydroxylase activityVitamin D3 receptorHomo sapiens (human)
positive regulation of bone mineralizationVitamin D3 receptorHomo sapiens (human)
phosphate ion transmembrane transportVitamin D3 receptorHomo sapiens (human)
bile acid signaling pathwayVitamin D3 receptorHomo sapiens (human)
mRNA transcription by RNA polymerase IIVitamin D3 receptorHomo sapiens (human)
positive regulation of keratinocyte differentiationVitamin D3 receptorHomo sapiens (human)
positive regulation of transcription by RNA polymerase IIVitamin D3 receptorHomo sapiens (human)
decidualizationVitamin D3 receptorHomo sapiens (human)
intestinal absorptionVitamin D3 receptorHomo sapiens (human)
apoptotic process involved in mammary gland involutionVitamin D3 receptorHomo sapiens (human)
positive regulation of apoptotic process involved in mammary gland involutionVitamin D3 receptorHomo sapiens (human)
regulation of calcidiol 1-monooxygenase activityVitamin D3 receptorHomo sapiens (human)
mammary gland branching involved in pregnancyVitamin D3 receptorHomo sapiens (human)
vitamin D receptor signaling pathwayVitamin D3 receptorHomo sapiens (human)
positive regulation of vitamin D receptor signaling pathwayVitamin D3 receptorHomo sapiens (human)
response to bile acidVitamin D3 receptorHomo sapiens (human)
multicellular organism developmentVitamin D3 receptorHomo sapiens (human)
cell differentiationVitamin D3 receptorHomo sapiens (human)
MAPK cascadeAlpha-2B adrenergic receptorHomo sapiens (human)
angiogenesisAlpha-2B adrenergic receptorHomo sapiens (human)
regulation of vascular associated smooth muscle contractionAlpha-2B adrenergic receptorHomo sapiens (human)
G protein-coupled receptor signaling pathwayAlpha-2B adrenergic receptorHomo sapiens (human)
cell-cell signalingAlpha-2B adrenergic receptorHomo sapiens (human)
female pregnancyAlpha-2B adrenergic receptorHomo sapiens (human)
negative regulation of norepinephrine secretionAlpha-2B adrenergic receptorHomo sapiens (human)
platelet activationAlpha-2B adrenergic receptorHomo sapiens (human)
activation of protein kinase B activityAlpha-2B adrenergic receptorHomo sapiens (human)
negative regulation of epinephrine secretionAlpha-2B adrenergic receptorHomo sapiens (human)
receptor transactivationAlpha-2B adrenergic receptorHomo sapiens (human)
positive regulation of MAPK cascadeAlpha-2B adrenergic receptorHomo sapiens (human)
positive regulation of neuron differentiationAlpha-2B adrenergic receptorHomo sapiens (human)
positive regulation of blood pressureAlpha-2B adrenergic receptorHomo sapiens (human)
positive regulation of uterine smooth muscle contractionAlpha-2B adrenergic receptorHomo sapiens (human)
adrenergic receptor signaling pathwayAlpha-2B adrenergic receptorHomo sapiens (human)
adenylate cyclase-activating adrenergic receptor signaling pathwayAlpha-2B adrenergic receptorHomo sapiens (human)
regulation of smooth muscle contractionAlpha-2C adrenergic receptorHomo sapiens (human)
G protein-coupled receptor signaling pathwayAlpha-2C adrenergic receptorHomo sapiens (human)
cell-cell signalingAlpha-2C adrenergic receptorHomo sapiens (human)
negative regulation of norepinephrine secretionAlpha-2C adrenergic receptorHomo sapiens (human)
regulation of vasoconstrictionAlpha-2C adrenergic receptorHomo sapiens (human)
platelet activationAlpha-2C adrenergic receptorHomo sapiens (human)
activation of protein kinase B activityAlpha-2C adrenergic receptorHomo sapiens (human)
negative regulation of epinephrine secretionAlpha-2C adrenergic receptorHomo sapiens (human)
receptor transactivationAlpha-2C adrenergic receptorHomo sapiens (human)
positive regulation of MAPK cascadeAlpha-2C adrenergic receptorHomo sapiens (human)
positive regulation of neuron differentiationAlpha-2C adrenergic receptorHomo sapiens (human)
adrenergic receptor signaling pathwayAlpha-2C adrenergic receptorHomo sapiens (human)
adenylate cyclase-activating adrenergic receptor signaling pathwayAlpha-2C adrenergic receptorHomo sapiens (human)
negative regulation of insulin secretionAlpha-2C adrenergic receptorHomo sapiens (human)
negative regulation of inflammatory response to antigenic stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
renal water homeostasisGuanine nucleotide-binding protein GHomo sapiens (human)
G protein-coupled receptor signaling pathwayGuanine nucleotide-binding protein GHomo sapiens (human)
regulation of insulin secretionGuanine nucleotide-binding protein GHomo sapiens (human)
cellular response to glucagon stimulusGuanine nucleotide-binding protein GHomo sapiens (human)
sodium ion transportIleal sodium/bile acid cotransporterHomo sapiens (human)
response to bacteriumIleal sodium/bile acid cotransporterHomo sapiens (human)
bile acid and bile salt transportIleal sodium/bile acid cotransporterHomo sapiens (human)
transmembrane transportIleal sodium/bile acid cotransporterHomo sapiens (human)
negative regulation of protein phosphorylationTAR DNA-binding protein 43Homo sapiens (human)
mRNA processingTAR DNA-binding protein 43Homo sapiens (human)
RNA splicingTAR DNA-binding protein 43Homo sapiens (human)
negative regulation of gene expressionTAR DNA-binding protein 43Homo sapiens (human)
regulation of protein stabilityTAR DNA-binding protein 43Homo sapiens (human)
positive regulation of insulin secretionTAR DNA-binding protein 43Homo sapiens (human)
response to endoplasmic reticulum stressTAR DNA-binding protein 43Homo sapiens (human)
positive regulation of protein import into nucleusTAR DNA-binding protein 43Homo sapiens (human)
regulation of circadian rhythmTAR DNA-binding protein 43Homo sapiens (human)
regulation of apoptotic processTAR DNA-binding protein 43Homo sapiens (human)
negative regulation by host of viral transcriptionTAR DNA-binding protein 43Homo sapiens (human)
rhythmic processTAR DNA-binding protein 43Homo sapiens (human)
regulation of cell cycleTAR DNA-binding protein 43Homo sapiens (human)
3'-UTR-mediated mRNA destabilizationTAR DNA-binding protein 43Homo sapiens (human)
3'-UTR-mediated mRNA stabilizationTAR DNA-binding protein 43Homo sapiens (human)
nuclear inner membrane organizationTAR DNA-binding protein 43Homo sapiens (human)
amyloid fibril formationTAR DNA-binding protein 43Homo sapiens (human)
regulation of gene expressionTAR DNA-binding protein 43Homo sapiens (human)
cell surface bile acid receptor signaling pathwayG-protein coupled bile acid receptor 1Homo sapiens (human)
positive regulation of ERK1 and ERK2 cascadeG-protein coupled bile acid receptor 1Homo sapiens (human)
cellular response to bile acidG-protein coupled bile acid receptor 1Homo sapiens (human)
positive regulation of cholangiocyte proliferationG-protein coupled bile acid receptor 1Homo sapiens (human)
regulation of bicellular tight junction assemblyG-protein coupled bile acid receptor 1Homo sapiens (human)
G protein-coupled receptor signaling pathwayG-protein coupled bile acid receptor 1Homo sapiens (human)
negative regulation of very-low-density lipoprotein particle remodelingBile acid receptorHomo sapiens (human)
positive regulation of DNA-templated transcriptionBile acid receptorHomo sapiens (human)
negative regulation of transcription by RNA polymerase IIBile acid receptorHomo sapiens (human)
nitrogen catabolite activation of transcription from RNA polymerase II promoterBile acid receptorHomo sapiens (human)
intracellular glucose homeostasisBile acid receptorHomo sapiens (human)
regulation of transcription by RNA polymerase IIBile acid receptorHomo sapiens (human)
transcription by RNA polymerase IIBile acid receptorHomo sapiens (human)
inflammatory responseBile acid receptorHomo sapiens (human)
cell-cell junction assemblyBile acid receptorHomo sapiens (human)
Notch signaling pathwayBile acid receptorHomo sapiens (human)
bile acid metabolic processBile acid receptorHomo sapiens (human)
negative regulation of tumor necrosis factor-mediated signaling pathwayBile acid receptorHomo sapiens (human)
regulation of low-density lipoprotein particle clearanceBile acid receptorHomo sapiens (human)
intracellular receptor signaling pathwayBile acid receptorHomo sapiens (human)
negative regulation of type II interferon productionBile acid receptorHomo sapiens (human)
negative regulation of interleukin-1 productionBile acid receptorHomo sapiens (human)
negative regulation of interleukin-2 productionBile acid receptorHomo sapiens (human)
negative regulation of interleukin-6 productionBile acid receptorHomo sapiens (human)
negative regulation of tumor necrosis factor productionBile acid receptorHomo sapiens (human)
positive regulation of interleukin-17 productionBile acid receptorHomo sapiens (human)
toll-like receptor 9 signaling pathwayBile acid receptorHomo sapiens (human)
regulation of urea metabolic processBile acid receptorHomo sapiens (human)
intracellular triglyceride homeostasisBile acid receptorHomo sapiens (human)
positive regulation of insulin secretion involved in cellular response to glucose stimulusBile acid receptorHomo sapiens (human)
bile acid signaling pathwayBile acid receptorHomo sapiens (human)
intracellular bile acid receptor signaling pathwayBile acid receptorHomo sapiens (human)
cholesterol homeostasisBile acid receptorHomo sapiens (human)
defense response to bacteriumBile acid receptorHomo sapiens (human)
negative regulation of apoptotic processBile acid receptorHomo sapiens (human)
negative regulation of canonical NF-kappaB signal transductionBile acid receptorHomo sapiens (human)
innate immune responseBile acid receptorHomo sapiens (human)
positive regulation of transcription by RNA polymerase IIBile acid receptorHomo sapiens (human)
positive regulation of insulin receptor signaling pathwayBile acid receptorHomo sapiens (human)
fatty acid homeostasisBile acid receptorHomo sapiens (human)
regulation of insulin secretion involved in cellular response to glucose stimulusBile acid receptorHomo sapiens (human)
regulation of bile acid biosynthetic processBile acid receptorHomo sapiens (human)
cellular response to lipopolysaccharideBile acid receptorHomo sapiens (human)
cellular response to fatty acidBile acid receptorHomo sapiens (human)
cellular response to organonitrogen compoundBile acid receptorHomo sapiens (human)
negative regulation of monocyte chemotactic protein-1 productionBile acid receptorHomo sapiens (human)
regulation of cholesterol metabolic processBile acid receptorHomo sapiens (human)
cellular response to bile acidBile acid receptorHomo sapiens (human)
positive regulation of adipose tissue developmentBile acid receptorHomo sapiens (human)
positive regulation of phosphatidic acid biosynthetic processBile acid receptorHomo sapiens (human)
positive regulation of glutamate metabolic processBile acid receptorHomo sapiens (human)
positive regulation of ammonia assimilation cycleBile acid receptorHomo sapiens (human)
cell differentiationBile acid receptorHomo sapiens (human)
negative regulation of inflammatory responseBile acid receptorHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (74)

Processvia Protein(s)Taxonomy
protein bindingBile salt export pumpHomo sapiens (human)
ATP bindingBile salt export pumpHomo sapiens (human)
ABC-type xenobiotic transporter activityBile salt export pumpHomo sapiens (human)
bile acid transmembrane transporter activityBile salt export pumpHomo sapiens (human)
canalicular bile acid transmembrane transporter activityBile salt export pumpHomo sapiens (human)
carbohydrate transmembrane transporter activityBile salt export pumpHomo sapiens (human)
ABC-type bile acid transporter activityBile salt export pumpHomo sapiens (human)
ATP hydrolysis activityBile salt export pumpHomo sapiens (human)
transcription cis-regulatory region bindingCellular tumor antigen p53Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA bindingCellular tumor antigen p53Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specificCellular tumor antigen p53Homo sapiens (human)
cis-regulatory region sequence-specific DNA bindingCellular tumor antigen p53Homo sapiens (human)
core promoter sequence-specific DNA bindingCellular tumor antigen p53Homo sapiens (human)
TFIID-class transcription factor complex bindingCellular tumor antigen p53Homo sapiens (human)
DNA-binding transcription repressor activity, RNA polymerase II-specificCellular tumor antigen p53Homo sapiens (human)
DNA-binding transcription activator activity, RNA polymerase II-specificCellular tumor antigen p53Homo sapiens (human)
protease bindingCellular tumor antigen p53Homo sapiens (human)
p53 bindingCellular tumor antigen p53Homo sapiens (human)
DNA bindingCellular tumor antigen p53Homo sapiens (human)
chromatin bindingCellular tumor antigen p53Homo sapiens (human)
DNA-binding transcription factor activityCellular tumor antigen p53Homo sapiens (human)
mRNA 3'-UTR bindingCellular tumor antigen p53Homo sapiens (human)
copper ion bindingCellular tumor antigen p53Homo sapiens (human)
protein bindingCellular tumor antigen p53Homo sapiens (human)
zinc ion bindingCellular tumor antigen p53Homo sapiens (human)
enzyme bindingCellular tumor antigen p53Homo sapiens (human)
receptor tyrosine kinase bindingCellular tumor antigen p53Homo sapiens (human)
ubiquitin protein ligase bindingCellular tumor antigen p53Homo sapiens (human)
histone deacetylase regulator activityCellular tumor antigen p53Homo sapiens (human)
ATP-dependent DNA/DNA annealing activityCellular tumor antigen p53Homo sapiens (human)
identical protein bindingCellular tumor antigen p53Homo sapiens (human)
histone deacetylase bindingCellular tumor antigen p53Homo sapiens (human)
protein heterodimerization activityCellular tumor antigen p53Homo sapiens (human)
protein-folding chaperone bindingCellular tumor antigen p53Homo sapiens (human)
protein phosphatase 2A bindingCellular tumor antigen p53Homo sapiens (human)
RNA polymerase II-specific DNA-binding transcription factor bindingCellular tumor antigen p53Homo sapiens (human)
14-3-3 protein bindingCellular tumor antigen p53Homo sapiens (human)
MDM2/MDM4 family protein bindingCellular tumor antigen p53Homo sapiens (human)
disordered domain specific bindingCellular tumor antigen p53Homo sapiens (human)
general transcription initiation factor bindingCellular tumor antigen p53Homo sapiens (human)
molecular function activator activityCellular tumor antigen p53Homo sapiens (human)
promoter-specific chromatin bindingCellular tumor antigen p53Homo sapiens (human)
alpha2-adrenergic receptor activityAlpha-2A adrenergic receptorHomo sapiens (human)
protein bindingAlpha-2A adrenergic receptorHomo sapiens (human)
protein kinase bindingAlpha-2A adrenergic receptorHomo sapiens (human)
alpha-1B adrenergic receptor bindingAlpha-2A adrenergic receptorHomo sapiens (human)
alpha-2C adrenergic receptor bindingAlpha-2A adrenergic receptorHomo sapiens (human)
thioesterase bindingAlpha-2A adrenergic receptorHomo sapiens (human)
heterotrimeric G-protein bindingAlpha-2A adrenergic receptorHomo sapiens (human)
protein homodimerization activityAlpha-2A adrenergic receptorHomo sapiens (human)
protein heterodimerization activityAlpha-2A adrenergic receptorHomo sapiens (human)
epinephrine bindingAlpha-2A adrenergic receptorHomo sapiens (human)
norepinephrine bindingAlpha-2A adrenergic receptorHomo sapiens (human)
guanyl-nucleotide exchange factor activityAlpha-2A adrenergic receptorHomo sapiens (human)
DNA-binding transcription factor activityVitamin D3 receptorHomo sapiens (human)
vitamin D response element bindingVitamin D3 receptorHomo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specificVitamin D3 receptorHomo sapiens (human)
DNA bindingVitamin D3 receptorHomo sapiens (human)
nuclear receptor activityVitamin D3 receptorHomo sapiens (human)
protein bindingVitamin D3 receptorHomo sapiens (human)
zinc ion bindingVitamin D3 receptorHomo sapiens (human)
bile acid nuclear receptor activityVitamin D3 receptorHomo sapiens (human)
nuclear retinoid X receptor bindingVitamin D3 receptorHomo sapiens (human)
calcitriol bindingVitamin D3 receptorHomo sapiens (human)
lithocholic acid bindingVitamin D3 receptorHomo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA bindingVitamin D3 receptorHomo sapiens (human)
alpha2-adrenergic receptor activityAlpha-2B adrenergic receptorHomo sapiens (human)
protein bindingAlpha-2B adrenergic receptorHomo sapiens (human)
epinephrine bindingAlpha-2B adrenergic receptorHomo sapiens (human)
alpha2-adrenergic receptor activityAlpha-2C adrenergic receptorHomo sapiens (human)
protein bindingAlpha-2C adrenergic receptorHomo sapiens (human)
alpha-2A adrenergic receptor bindingAlpha-2C adrenergic receptorHomo sapiens (human)
protein homodimerization activityAlpha-2C adrenergic receptorHomo sapiens (human)
protein heterodimerization activityAlpha-2C adrenergic receptorHomo sapiens (human)
epinephrine bindingAlpha-2C adrenergic receptorHomo sapiens (human)
guanyl-nucleotide exchange factor activityAlpha-2C adrenergic receptorHomo sapiens (human)
G protein activityGuanine nucleotide-binding protein GHomo sapiens (human)
adenylate cyclase activator activityGuanine nucleotide-binding protein GHomo sapiens (human)
protein bindingIleal sodium/bile acid cotransporterHomo sapiens (human)
bile acid:sodium symporter activityIleal sodium/bile acid cotransporterHomo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA bindingTAR DNA-binding protein 43Homo sapiens (human)
DNA bindingTAR DNA-binding protein 43Homo sapiens (human)
double-stranded DNA bindingTAR DNA-binding protein 43Homo sapiens (human)
RNA bindingTAR DNA-binding protein 43Homo sapiens (human)
mRNA 3'-UTR bindingTAR DNA-binding protein 43Homo sapiens (human)
protein bindingTAR DNA-binding protein 43Homo sapiens (human)
lipid bindingTAR DNA-binding protein 43Homo sapiens (human)
identical protein bindingTAR DNA-binding protein 43Homo sapiens (human)
pre-mRNA intronic bindingTAR DNA-binding protein 43Homo sapiens (human)
molecular condensate scaffold activityTAR DNA-binding protein 43Homo sapiens (human)
protein bindingG-protein coupled bile acid receptor 1Homo sapiens (human)
bile acid receptor activityG-protein coupled bile acid receptor 1Homo sapiens (human)
G protein-coupled bile acid receptor activityG-protein coupled bile acid receptor 1Homo sapiens (human)
RNA polymerase II transcription regulatory region sequence-specific DNA bindingBile acid receptorHomo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA bindingBile acid receptorHomo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specificBile acid receptorHomo sapiens (human)
transcription coregulator bindingBile acid receptorHomo sapiens (human)
DNA-binding transcription activator activity, RNA polymerase II-specificBile acid receptorHomo sapiens (human)
DNA-binding transcription factor activityBile acid receptorHomo sapiens (human)
nuclear receptor activityBile acid receptorHomo sapiens (human)
protein bindingBile acid receptorHomo sapiens (human)
zinc ion bindingBile acid receptorHomo sapiens (human)
nuclear receptor bindingBile acid receptorHomo sapiens (human)
bile acid bindingBile acid receptorHomo sapiens (human)
bile acid receptor activityBile acid receptorHomo sapiens (human)
sequence-specific DNA bindingBile acid receptorHomo sapiens (human)
nuclear retinoid X receptor bindingBile acid receptorHomo sapiens (human)
chenodeoxycholic acid bindingBile acid receptorHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (48)

Processvia Protein(s)Taxonomy
basolateral plasma membraneBile salt export pumpHomo sapiens (human)
Golgi membraneBile salt export pumpHomo sapiens (human)
endosomeBile salt export pumpHomo sapiens (human)
plasma membraneBile salt export pumpHomo sapiens (human)
cell surfaceBile salt export pumpHomo sapiens (human)
apical plasma membraneBile salt export pumpHomo sapiens (human)
intercellular canaliculusBile salt export pumpHomo sapiens (human)
intracellular canaliculusBile salt export pumpHomo sapiens (human)
recycling endosomeBile salt export pumpHomo sapiens (human)
recycling endosome membraneBile salt export pumpHomo sapiens (human)
extracellular exosomeBile salt export pumpHomo sapiens (human)
membraneBile salt export pumpHomo sapiens (human)
nuclear bodyCellular tumor antigen p53Homo sapiens (human)
nucleusCellular tumor antigen p53Homo sapiens (human)
nucleoplasmCellular tumor antigen p53Homo sapiens (human)
replication forkCellular tumor antigen p53Homo sapiens (human)
nucleolusCellular tumor antigen p53Homo sapiens (human)
cytoplasmCellular tumor antigen p53Homo sapiens (human)
mitochondrionCellular tumor antigen p53Homo sapiens (human)
mitochondrial matrixCellular tumor antigen p53Homo sapiens (human)
endoplasmic reticulumCellular tumor antigen p53Homo sapiens (human)
centrosomeCellular tumor antigen p53Homo sapiens (human)
cytosolCellular tumor antigen p53Homo sapiens (human)
nuclear matrixCellular tumor antigen p53Homo sapiens (human)
PML bodyCellular tumor antigen p53Homo sapiens (human)
transcription repressor complexCellular tumor antigen p53Homo sapiens (human)
site of double-strand breakCellular tumor antigen p53Homo sapiens (human)
germ cell nucleusCellular tumor antigen p53Homo sapiens (human)
chromatinCellular tumor antigen p53Homo sapiens (human)
transcription regulator complexCellular tumor antigen p53Homo sapiens (human)
protein-containing complexCellular tumor antigen p53Homo sapiens (human)
cytoplasmAlpha-2A adrenergic receptorHomo sapiens (human)
plasma membraneAlpha-2A adrenergic receptorHomo sapiens (human)
basolateral plasma membraneAlpha-2A adrenergic receptorHomo sapiens (human)
neuronal cell bodyAlpha-2A adrenergic receptorHomo sapiens (human)
axon terminusAlpha-2A adrenergic receptorHomo sapiens (human)
presynaptic active zone membraneAlpha-2A adrenergic receptorHomo sapiens (human)
dopaminergic synapseAlpha-2A adrenergic receptorHomo sapiens (human)
postsynaptic density membraneAlpha-2A adrenergic receptorHomo sapiens (human)
glutamatergic synapseAlpha-2A adrenergic receptorHomo sapiens (human)
GABA-ergic synapseAlpha-2A adrenergic receptorHomo sapiens (human)
receptor complexAlpha-2A adrenergic receptorHomo sapiens (human)
plasma membraneAlpha-2A adrenergic receptorHomo sapiens (human)
nucleusVitamin D3 receptorHomo sapiens (human)
nucleusVitamin D3 receptorHomo sapiens (human)
nucleoplasmVitamin D3 receptorHomo sapiens (human)
cytosolVitamin D3 receptorHomo sapiens (human)
RNA polymerase II transcription regulator complexVitamin D3 receptorHomo sapiens (human)
chromatinVitamin D3 receptorHomo sapiens (human)
receptor complexVitamin D3 receptorHomo sapiens (human)
cytosolAlpha-2B adrenergic receptorHomo sapiens (human)
plasma membraneAlpha-2B adrenergic receptorHomo sapiens (human)
cell surfaceAlpha-2B adrenergic receptorHomo sapiens (human)
intracellular membrane-bounded organelleAlpha-2B adrenergic receptorHomo sapiens (human)
plasma membraneAlpha-2B adrenergic receptorHomo sapiens (human)
cytoplasmAlpha-2C adrenergic receptorHomo sapiens (human)
endosomeAlpha-2C adrenergic receptorHomo sapiens (human)
plasma membraneAlpha-2C adrenergic receptorHomo sapiens (human)
plasma membraneAlpha-2C adrenergic receptorHomo sapiens (human)
nucleoplasmRetinoic acid receptor RXR-alphaMus musculus (house mouse)
plasma membraneGuanine nucleotide-binding protein GHomo sapiens (human)
plasma membraneIleal sodium/bile acid cotransporterHomo sapiens (human)
microvillusIleal sodium/bile acid cotransporterHomo sapiens (human)
apical plasma membraneIleal sodium/bile acid cotransporterHomo sapiens (human)
intracellular non-membrane-bounded organelleTAR DNA-binding protein 43Homo sapiens (human)
nucleusTAR DNA-binding protein 43Homo sapiens (human)
nucleoplasmTAR DNA-binding protein 43Homo sapiens (human)
perichromatin fibrilsTAR DNA-binding protein 43Homo sapiens (human)
mitochondrionTAR DNA-binding protein 43Homo sapiens (human)
cytoplasmic stress granuleTAR DNA-binding protein 43Homo sapiens (human)
nuclear speckTAR DNA-binding protein 43Homo sapiens (human)
interchromatin granuleTAR DNA-binding protein 43Homo sapiens (human)
nucleoplasmTAR DNA-binding protein 43Homo sapiens (human)
chromatinTAR DNA-binding protein 43Homo sapiens (human)
cytoplasmG-protein coupled bile acid receptor 1Homo sapiens (human)
plasma membraneG-protein coupled bile acid receptor 1Homo sapiens (human)
receptor complexG-protein coupled bile acid receptor 1Homo sapiens (human)
plasma membraneG-protein coupled bile acid receptor 1Homo sapiens (human)
nucleoplasmBile acid receptorHomo sapiens (human)
chromatinBile acid receptorHomo sapiens (human)
euchromatinBile acid receptorHomo sapiens (human)
receptor complexBile acid receptorHomo sapiens (human)
RNA polymerase II transcription regulator complexBile acid receptorHomo sapiens (human)
nucleusBile acid receptorHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (384)

Assay IDTitleYearJournalArticle
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1345827Human FPR1 (Formylpeptide receptors)2000Inflammation research : official journal of the European Histamine Research Society ... [et al.], Dec, Volume: 49, Issue:12
Characterization of chenodeoxycholic acid as an endogenous antagonist of the G-coupled formyl peptide receptors.
AID1346437Human GPBA receptor (Bile acid receptor)2002Biochemical and biophysical research communications, Nov-15, Volume: 298, Issue:5
Identification of membrane-type receptor for bile acids (M-BAR).
AID1346766Human Farnesoid X receptor (1H. Liver X receptor-like receptors)1999Science (New York, N.Y.), May-21, Volume: 284, Issue:5418
Bile acids: natural ligands for an orphan nuclear receptor.
AID1346766Human Farnesoid X receptor (1H. Liver X receptor-like receptors)1999Molecular cell, May, Volume: 3, Issue:5
Endogenous bile acids are ligands for the nuclear receptor FXR/BAR.
AID1347411qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary2020ACS chemical biology, 07-17, Volume: 15, Issue:7
High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Current protocols in cytometry, Oct, Volume: Chapter 13Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2006Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5
Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set2010Assay and drug development technologies, Feb, Volume: 8, Issue:1
High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID504810Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign2010Endocrinology, Jul, Volume: 151, Issue:7
A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID592922Induction of FXR-mediated Ostbeta mRNA expression in human HepG2 cells at 20 uM by RT-PCR2011Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8
Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine.
AID1686056Drug metabolism in bile of fistula Wistar-Han rat model assessed as maximum biliary secretion of the administered compound including the secreted taurine conjugates at 60 umol/kg, iv by HPLC-ES-MS/MS analysis2016Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19
Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders.
AID673747Agonist activity at GST-tagged FXR-LBD using biotinylated-SRC-1 peptide as substrate preincubated with compound for 30 mins measured after 4 hrs relative to 10 uM CDCA2012ACS medicinal chemistry letters, Apr-12, Volume: 3, Issue:4
Avicholic Acid: A Lead Compound from Birds on the Route to Potent TGR5 Modulators.
AID240134Activation of human farnesoid X receptor; range is 10-302005Journal of medicinal chemistry, Aug-25, Volume: 48, Issue:17
Farnesoid X receptor: from structure to potential clinical applications.
AID588219FDA HLAED, gamma-glutamyl transferase (GGT) increase2004Current drug discovery technologies, Dec, Volume: 1, Issue:4
Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID1443986Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell membrane vesicles assessed as reduction in ATP or AMP-dependent [3H]-taurocholic acid uptake in to vesicles preincubated for 5 mins followed by ATP/AMP addition measured after2014Hepatology (Baltimore, Md.), Sep, Volume: 60, Issue:3
Human drug-induced liver injury severity is highly associated with dual inhibition of liver mitochondrial function and bile salt export pump.
AID1187915Agonist activity at GAL4 DNA binding domain tagged FXR ligand binding domain (unknown origin) expressed in human HepG2 cells co-expressing human human SHP gene promoter assessed as transactivation of SHP promoter driven luciferase activity at 10 uM relati2014Bioorganic & medicinal chemistry letters, Sep-01, Volume: 24, Issue:17
Cryptochinones from Cryptocarya chinensis act as farnesoid X receptor agonists.
AID1233566Cytotoxicity against human WI38 cells assessed as inhibition of cell growth at 20 ug/ml by MTT assay2015European journal of medicinal chemistry, Jul-15, Volume: 100Structure-activity relationship of hybrids of Cinchona alkaloids and bile acids with in vitro antiplasmodial and antitrypanosomal activities.
AID240176Binding affinity for human Farnesoid X receptor in FRET assay2004Journal of medicinal chemistry, Aug-26, Volume: 47, Issue:18
Bile acid derivatives as ligands of the farnesoid X receptor. Synthesis, evaluation, and structure-activity relationship of a series of body and side chain modified analogues of chenodeoxycholic acid.
AID1079939Cirrhosis, proven histopathologically. Value is number of references indexed. [column 'CIRRH' in source]
AID1412048Induction of angiogenesis in HUVEC assessed as increase in tube formation at 12.5 uM after overnight incubation by inverted microscopic analysis2017MedChemComm, Dec-01, Volume: 8, Issue:12
Deciphering the role of hydrophobic and hydrophilic bile acids in angiogenesis using
AID1079940Granulomatous liver disease, proven histopathologically. Value is number of references indexed. [column 'GRAN' in source]
AID409882Cytotoxicity against human GBM cells at 50 uM after 48 hrs by neutral red uptake assay2008Bioorganic & medicinal chemistry, Sep-15, Volume: 16, Issue:18
New lithocholic and chenodeoxycholic piperazinylcarboxamides with antiproliferative and pro-apoptotic effects on human cancer cell lines.
AID588218FDA HLAED, lactate dehydrogenase (LDH) increase2004Current drug discovery technologies, Dec, Volume: 1, Issue:4
Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID680256TP_TRANSPORTER: inhibition of Taurocholate uptake (Taurochorate: 20 uM, CDCA: 200 uM) in Xenopus laevis oocytes1994Hepatology (Baltimore, Md.), Aug, Volume: 20, Issue:2
Functional characterization of the basolateral rat liver organic anion transporting polypeptide.
AID1059688Selectivity ratio of EC50 for TGR5 Y89A mutant (unknown origin) to EC50 for wild type TGR5 (unknown origin)2013ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12
Probing the Binding Site of Bile Acids in TGR5.
AID1852830Anticancer activity against human Huh-7 cells assessed as inhibition of cell proliferation by MTT assay2022RSC medicinal chemistry, Nov-16, Volume: 13, Issue:11
Design and synthesis of bile acid derivatives and their activity against colon cancer.
AID294203Agonistic activity at FXR in HEK293 cells by GAL4 transactivation activity2007Bioorganic & medicinal chemistry, Apr-01, Volume: 15, Issue:7
Design, synthesis, and evaluation of non-steroidal farnesoid X receptor (FXR) antagonist.
AID441586Metabolic stability in bile fistula rat model assessed as conjugated drug level recovered in bile at 1 umol/min/kg, iv over 1 hr2009Journal of medicinal chemistry, Dec-24, Volume: 52, Issue:24
Discovery of 6alpha-ethyl-23(S)-methylcholic acid (S-EMCA, INT-777) as a potent and selective agonist for the TGR5 receptor, a novel target for diabesity.
AID1079932Highest frequency of moderate liver toxicity observed during clinical trials, expressed as a percentage. [column '% BIOL' in source]
AID1166186Agonist activity at FXR in human HepG2 cells assessed as induction of SHP mrNA expression at 50 uM by quantitative PCR method2014Journal of medicinal chemistry, Oct-09, Volume: 57, Issue:19
Extending the structure-activity relationship of anthranilic acid derivatives as farnesoid X receptor modulators: development of a highly potent partial farnesoid X receptor agonist.
AID1852826Anticancer activity against human HCT-116 cells assessed as inhibition of cell proliferation by MTT assay2022RSC medicinal chemistry, Nov-16, Volume: 13, Issue:11
Design and synthesis of bile acid derivatives and their activity against colon cancer.
AID346025Binding affinity to beta cyclodextrin2009Bioorganic & medicinal chemistry, Jan-15, Volume: 17, Issue:2
Convenient QSAR model for predicting the complexation of structurally diverse compounds with beta-cyclodextrins.
AID422552Binding affinity to human pancreatic recombinant 1B PLA2 expressed in Escherichia coli at 100 uM by saturation transfer difference NMR spectroscopy2009Journal of natural products, Jan, Volume: 72, Issue:1
Effect of guggulsterone and cembranoids of Commiphora mukul on pancreatic phospholipase A(2): role in hypocholesterolemia.
AID490124Lipophilicity, log P of the compound2010European journal of medicinal chemistry, Jul, Volume: 45, Issue:7
Synthesis of bile acid derivatives and in vitro cytotoxic activity with pro-apoptotic process on multiple myeloma (KMS-11), glioblastoma multiforme (GBM), and colonic carcinoma (HCT-116) human cell lines.
AID1161666Agonist activity at FXR (unknown origin) expressed in human HepG2 cells assessed as stimulation of FXR response element IR1-mediated receptor transactivation at 1 uM by luciferase reporter gene assay2014Journal of medicinal chemistry, Sep-25, Volume: 57, Issue:18
Modification on ursodeoxycholic acid (UDCA) scaffold. discovery of bile acid derivatives as selective agonists of cell-surface G-protein coupled bile acid receptor 1 (GP-BAR1).
AID1059683Agonist activity at TGR5 E169A mutant (unknown origin)2013ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12
Probing the Binding Site of Bile Acids in TGR5.
AID1079944Benign tumor, proven histopathologically. Value is number of references indexed. [column 'T.BEN' in source]
AID1609608Agonist activity at FXR in guggulsterone-treated human LO2 cells assessed as increase in SULT2A1 protein expression at 80 uM treated with FXR antagonist, guggulsterone for 24 hrs followed by incubation with compound for 24 hrs by western blot analysis2019European journal of medicinal chemistry, Nov-15, Volume: 182Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.
AID1233570Antiplasmodial activity against Plasmodium falciparum 3D7 assessed as inhibition of parasite viability at 20 ug/ml by parasite lactate dehydrogenase assay2015European journal of medicinal chemistry, Jul-15, Volume: 100Structure-activity relationship of hybrids of Cinchona alkaloids and bile acids with in vitro antiplasmodial and antitrypanosomal activities.
AID303502Activation of BSEP gene expression in human HepG2 cells at 25 uM after 18 hrs by RT-PCR2007Journal of medicinal chemistry, Nov-29, Volume: 50, Issue:24
Synthesis, characterization, and receptor interaction profiles of enantiomeric bile acids.
AID1398006Inhibition of lipid accumulation in mouse 3T3L1 cells at 10 uM by oil red o staining-based assay2018Bioorganic & medicinal chemistry letters, 09-15, Volume: 28, Issue:17
Lipid accumulation inhibitory activities of novel isoxazole-based chenodeoxycholic acids: Design, synthesis and preliminary mechanism study.
AID1852831Anticancer activity against human SK-HEP1 cells assessed as inhibition of cell proliferation by MTT assay2022RSC medicinal chemistry, Nov-16, Volume: 13, Issue:11
Design and synthesis of bile acid derivatives and their activity against colon cancer.
AID1569582Agonist activity at TGR5 in human NCI-H716 cells assessed as increase in cAMP accumulation after 60 mins by HTR-FRET assay2019Journal of medicinal chemistry, 07-25, Volume: 62, Issue:14
7-Methylation of Chenodeoxycholic Acid Derivatives Yields a Substantial Increase in TGR5 Receptor Potency.
AID588216FDA HLAED, serum glutamic oxaloacetic transaminase (SGOT) increase2004Current drug discovery technologies, Dec, Volume: 1, Issue:4
Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID1277415Agonist activity at VP16 tagged-VDR-LBD (unknown origin) expressed in HEK293T cells assessed as SRC1 coactivator peptide recruitment after 16 hrs by luciferase reporter gene based two hybrid assay2016European journal of medicinal chemistry, Feb-15, Volume: 109Synthesis and evaluation of vitamin D receptor-mediated activities of cholesterol and vitamin D metabolites.
AID1609542Upregulation of FXR mRNA expression in human LO2 cells at 80 uM after 24 hrs by RT-qPCR analysis2019European journal of medicinal chemistry, Nov-15, Volume: 182Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.
AID1187925Agonist activity at GAL4 DNA binding domain tagged FXR ligand binding domain (unknown origin) expressed in human HepG2 cells co-expressing human PLTP gene promoter assessed as transactivation of PLTP promoter driven luciferase activity at 10 uM relative t2014Bioorganic & medicinal chemistry letters, Sep-01, Volume: 24, Issue:17
Cryptochinones from Cryptocarya chinensis act as farnesoid X receptor agonists.
AID1059679Agonist activity at TGR5 S270A mutant (unknown origin)2013ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12
Probing the Binding Site of Bile Acids in TGR5.
AID1351287Agonist activity at GST-tagged FXR-LBD (unknown origin) assessed as biotin-labeled SRC-1 recruitment after 30 mins by Alpha Screen assay2018European journal of medicinal chemistry, Jan-20, Volume: 144Synthesis, physicochemical properties, and biological activity of bile acids 3-glucuronides: Novel insights into bile acid signalling and detoxification.
AID1079946Presence of at least one case with successful reintroduction. [column 'REINT' in source]
AID1412071Pro-angiogenic activity in HUVEC assessed as decrease in VE-cadherin expression at 12.5 uM after overnight incubation by FITC-conjugated phalloidin staining based confocal microscopic analysis2017MedChemComm, Dec-01, Volume: 8, Issue:12
Deciphering the role of hydrophobic and hydrophilic bile acids in angiogenesis using
AID1412068Increase in MMP9 level in HUVEC at 12.5 uM after 24 hrs by ELISA2017MedChemComm, Dec-01, Volume: 8, Issue:12
Deciphering the role of hydrophobic and hydrophilic bile acids in angiogenesis using
AID592920Induction of FXR-mediated BSEP mRNA expression in human HepG2 cells at 20 uM by RT-PCR2011Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8
Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine.
AID1059692Selectivity ratio of EC50 for TGR5 N93A mutant (unknown origin) to EC50 for wild type TGR5 (unknown origin)2013ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12
Probing the Binding Site of Bile Acids in TGR5.
AID297449Agonist activity at human TGR5 expressed in CHO cells after 5 hrs by CRE-driven luciferase reporter gene assay relative to lithocholic acid2007Journal of medicinal chemistry, Sep-06, Volume: 50, Issue:18
Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5.
AID1138172Agonist activity at FXR in human HepG2 cells assessed as upregulation of BESP mRNA expression at 10 uM after 18 hrs by RT-PCR analysis2014Journal of medicinal chemistry, Feb-13, Volume: 57, Issue:3
Design, synthesis, and biological evaluation of potent dual agonists of nuclear and membrane bile acid receptors.
AID592918Induction of FXR-mediated SHP mRNA expression in human HepG2 cells at 20 uM by RT-PCR2011Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8
Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine.
AID409880Cytotoxicity against human HCT116 cells at 50 uM after 24 hrs by neutral red uptake assay2008Bioorganic & medicinal chemistry, Sep-15, Volume: 16, Issue:18
New lithocholic and chenodeoxycholic piperazinylcarboxamides with antiproliferative and pro-apoptotic effects on human cancer cell lines.
AID588211Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in humans2010Chemical research in toxicology, Jan, Volume: 23, Issue:1
Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID588210Human drug-induced liver injury (DILI) modelling dataset from Ekins et al2010Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 38, Issue:12
A predictive ligand-based Bayesian model for human drug-induced liver injury.
AID1576216Agonist activity at GST-tagged FXR-LBD (unknown origin) assessed as biotinylated SRC-1 recruitment after 30 mins by Alpha Screen assay2019MedChemComm, Aug-01, Volume: 10, Issue:8
Dissecting the allosteric FXR modulation: a chemical biology approach using guggulsterone as a chemical tool.
AID1609588Upregulation of FXR protein expression in human LO2 cells at 80 uM after 24 hrs by Western blot analysis2019European journal of medicinal chemistry, Nov-15, Volume: 182Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.
AID1852833Anticancer activity against human MGC-803 cells assessed as inhibition of cell proliferation by MTT assay2022RSC medicinal chemistry, Nov-16, Volume: 13, Issue:11
Design and synthesis of bile acid derivatives and their activity against colon cancer.
AID515398Cytotoxicity against human HET-1A cells assessed as cell viability after 24 hrs by MTT assay2010Bioorganic & medicinal chemistry, Sep-15, Volume: 18, Issue:18
Bile acid toxicity structure-activity relationships: correlations between cell viability and lipophilicity in a panel of new and known bile acids using an oesophageal cell line (HET-1A).
AID1232938Agonist activity at human full length FXR expressed in HeLa cells cotransfected with pSG5-human RXR after 24 hrs by Dual-Glo luciferase reporter gene assay2015Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13
Fragmentation of GW4064 led to a highly potent partial farnesoid X receptor agonist with improved drug-like properties.
AID1474166Liver toxicity in human assessed as induction of drug-induced liver injury by measuring severity class index2016Drug discovery today, Apr, Volume: 21, Issue:4
DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.
AID1305701Agonist activity at farnesoid x receptor(unknown origin)2016Bioorganic & medicinal chemistry, Aug-01, Volume: 24, Issue:15
Novel approaches to map small molecule-target interactions.
AID1166210Agonist activity at FXR in human HepG2 cells assessed as induction of IBABP mrNA expression at 50 uM by quantitative PCR method2014Journal of medicinal chemistry, Oct-09, Volume: 57, Issue:19
Extending the structure-activity relationship of anthranilic acid derivatives as farnesoid X receptor modulators: development of a highly potent partial farnesoid X receptor agonist.
AID714968Agonist activity at human FXR expressed in human HepG2 cells assessed as transactivation of SHP gene by measuring relative luciferase activity by transient transfection reporter assay relative to control2012Bioorganic & medicinal chemistry letters, Mar-15, Volume: 22, Issue:6
Sesquiterpenoids from Atractylodes macrocephala act as farnesoid X receptor and progesterone receptor modulators.
AID1079937Severe hepatitis, defined as possibly life-threatening liver failure or through clinical observations. Value is number of references indexed. [column 'MASS' in source]
AID679680TP_TRANSPORTER: inhibition of Taurocholate uptake (Taurochorate: 10 uM, CDCA: 100 uM) in Xenopus laevis oocytes1994The Journal of clinical investigation, Mar, Volume: 93, Issue:3
Molecular cloning, chromosomal localization, and functional characterization of a human liver Na+/bile acid cotransporter.
AID1633315Transactivation of human FXR (unknown origin) expressed in HepG2 cells co-expressing pSG5RXR/pGL4.70 after 24 hrs post transfection by luciferase reporter gene assay2019ACS medicinal chemistry letters, Apr-11, Volume: 10, Issue:4
Novel Isoxazole Derivatives with Potent FXR Agonistic Activity Prevent Acetaminophen-Induced Liver Injury.
AID1232958Partial agonist activity at FXR in human HepG2 cells assessed as induction of BSEP gene expression at 50 uM after 24 hrs by qRT-PCR analysis (Rvb = 100%)2015Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13
Fragmentation of GW4064 led to a highly potent partial farnesoid X receptor agonist with improved drug-like properties.
AID1079943Malignant tumor, proven histopathologically. Value is number of references indexed. [column 'T.MAL' in source]
AID1412064Increase in VEGFR1 m-RNA expression in HUVEC at 12.5 uM after 12 to 24 hrs by RT-qPCR analysis2017MedChemComm, Dec-01, Volume: 8, Issue:12
Deciphering the role of hydrophobic and hydrophilic bile acids in angiogenesis using
AID1079934Highest frequency of acute liver toxicity observed during clinical trials, expressed as a percentage. [column '% AIGUE' in source]
AID303512Activation of TGR5 expressed in HEK293 cells assessed as elevation of cAMP production at 10 uM relative to control2007Journal of medicinal chemistry, Nov-29, Volume: 50, Issue:24
Synthesis, characterization, and receptor interaction profiles of enantiomeric bile acids.
AID588217FDA HLAED, serum glutamic pyruvic transaminase (SGPT) increase2004Current drug discovery technologies, Dec, Volume: 1, Issue:4
Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID1609604Increase in FXR protein expression in guggulsterone-treated human LO2 cells at 80 uM treated with FXR antagonist, guggulsterone for 24 hrs followed by incubation with compound for 24 hrs by western blot analysis2019European journal of medicinal chemistry, Nov-15, Volume: 182Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.
AID1609545Agonist activity at FXR in human LO2 cells assessed as increase in UGT2A4 mRNA expression at 80 uM after 24 hrs by RT-qPCR analysis2019European journal of medicinal chemistry, Nov-15, Volume: 182Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.
AID1413747Transactivation of full-length FXR (unknown origin) expressed in HEK293 cells after 18 hrs by dual-glo luciferase reporter gene assay2018MedChemComm, Oct-01, Volume: 9, Issue:10
Discovery of new FXR agonists based on 6-ECDCA binding properties by virtual screening and molecular docking.
AID1609543Agonist activity at FXR in human LO2 cells assessed as increase in SHP1 mRNA expression at 80 uM after 24 hrs by RT-qPCR analysis2019European journal of medicinal chemistry, Nov-15, Volume: 182Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.
AID662691Enhancement of human BSEP E297G mutant trafficking to cell membrane in MDCK2 cells co-expressing NTCP assessed as accumulation of [3H]taurocholate at 10 uM preincubated for 24 hrs prior incubation with [3H]taurocholate measured after 2 hrs by liquid scint2012Bioorganic & medicinal chemistry letters, Jun-15, Volume: 22, Issue:12
E297G mutated bile salt export pump (BSEP) function enhancers derived from GW4064: structural development study and separation from farnesoid X receptor-agonistic activity.
AID681660TP_TRANSPORTER: inhibition of Taurocholate uptake (Taurochorate: 5 uM, CDCA: 50 uM) in membrane vesicles isolated from Bsep-expressing Balb-3T3 cells2000Gene, Jan-04, Volume: 241, Issue:1
Molecular cloning and characterization of the murine bile salt export pump.
AID422554Agonist activity at human FXR transfected in human HuH7 cells co-transfected with human BSEP promoter reporter plasmid at 10 uM after 30 hrs by dual-luciferase reporter assay relative to control2009Journal of natural products, Jan, Volume: 72, Issue:1
Effect of guggulsterone and cembranoids of Commiphora mukul on pancreatic phospholipase A(2): role in hypocholesterolemia.
AID1233568Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 bloodstream forms assessed as inhibition of parasite growth at 20 ug/ml by microtiter plate based assay2015European journal of medicinal chemistry, Jul-15, Volume: 100Structure-activity relationship of hybrids of Cinchona alkaloids and bile acids with in vitro antiplasmodial and antitrypanosomal activities.
AID1451548Transactivation of FXR in human HepG2 cells assessed as FGF19 mRNA expression at 50 uM after 8 to 16 hrs by SYBR green based qRT-PCR analysis relative to DMSO control2017Journal of medicinal chemistry, 09-28, Volume: 60, Issue:18
A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis.
AID303493Activation of human PXR expressed in HEK293 cells at 50 uM by GAL4 activation assay relative to control2007Journal of medicinal chemistry, Nov-29, Volume: 50, Issue:24
Synthesis, characterization, and receptor interaction profiles of enantiomeric bile acids.
AID657096Restoration of human BSEP E297G mutant trafficking to cell membrane in MDCK2 cells co-expressing NTCP assessed as accumulation of [3H]taurocholate at 100 uM preincubated for 24 hrs prior incubation with [3H]taurocholate measured after 2 hrs by liquid scin2012Bioorganic & medicinal chemistry, May-01, Volume: 20, Issue:9
Discovery and structural development of small molecules that enhance transport activity of bile salt export pump mutant associated with progressive familial intrahepatic cholestasis type 2.
AID714963Agonist activity at human FXR expressed in human HepG2 cells assessed as down-regulation of CYP7A1 gene transactivation at 10 uM by measuring relative luciferase activity by transient transfection reporter assay relative to control2012Bioorganic & medicinal chemistry letters, Mar-15, Volume: 22, Issue:6
Sesquiterpenoids from Atractylodes macrocephala act as farnesoid X receptor and progesterone receptor modulators.
AID54340Binding constant towards cyclodextrin conjugated peptide (with pyrene) at 25 degrees Centigrade2003Bioorganic & medicinal chemistry letters, Dec-15, Volume: 13, Issue:24
Fluorescence resonance energy transfer in a novel cyclodextrin-peptide conjugate for detecting steroid molecules.
AID1233552Cytotoxicity against human WI38 cells by MTT assay2015European journal of medicinal chemistry, Jul-15, Volume: 100Structure-activity relationship of hybrids of Cinchona alkaloids and bile acids with in vitro antiplasmodial and antitrypanosomal activities.
AID1079935Cytolytic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is > 5 (see ACUTE). Value is number of references indexed. [column 'CYTOL' in source]
AID672335Agonist activity at FXR LBD expressed in human HepG2 cells co-expressing GAL4 DBD and pG5-luc assessed as SHP promoter-driven luciferase activity at 10 uM after 48 hrs by transient transfection reporter assay relative to control2012Bioorganic & medicinal chemistry letters, Jul-15, Volume: 22, Issue:14
Triterpenes from Alisma orientalis act as farnesoid X receptor agonists.
AID1138170Agonist activity at FXR in human HepG2 cells assessed as upregulation of SHP mRNA expression at 10 uM after 18 hrs by RT-PCR analysis2014Journal of medicinal chemistry, Feb-13, Volume: 57, Issue:3
Design, synthesis, and biological evaluation of potent dual agonists of nuclear and membrane bile acid receptors.
AID265705Agonist activity at human recombinant FXR by transactivation of TK-MH100x4-LUC reporter gene in HEK293 cells2006Bioorganic & medicinal chemistry letters, Jun-15, Volume: 16, Issue:12
Diphenylmethane skeleton as a multi-template for nuclear receptor ligands: preparation of FXR and PPAR ligands.
AID592919Induction of FXR-mediated SHP mRNA expression in human HepG2 cells at 1 uM by RT-PCR2011Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8
Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine.
AID1327990Antiproliferative activity against human HT-29 cells after 48 hrs by SRB assay2016European journal of medicinal chemistry, Oct-21, Volume: 122Novel 3,4-seco bile acid diamides as selective anticancer proliferation and migration agents.
AID1609590Agonist activity at FXR in human LO2 cells assessed as increase in BSEP protein expression at 80 uM after 24 hrs by Western blot analysis2019European journal of medicinal chemistry, Nov-15, Volume: 182Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.
AID1686017Agonist activity at TGR5 in human NCI-H716 cells assessed as stimulation of intracellular cAMP accumulation incubated for 60 mins by HTR-FRET assay2016Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19
Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders.
AID629056Agonist activity at full length mouse FXR/RXRalpha expressed in human HEK293 cells assessed as induction of transcriptional activity at 10 ug/mL after 18 hrs by dual luciferase reporter gene assay relative to control2011Bioorganic & medicinal chemistry, Nov-15, Volume: 19, Issue:22
Pharmacophore-based discovery of FXR-agonists. Part II: identification of bioactive triterpenes from Ganoderma lucidum.
AID441576Solubility in 0.1M HCl water solution2009Journal of medicinal chemistry, Dec-24, Volume: 52, Issue:24
Discovery of 6alpha-ethyl-23(S)-methylcholic acid (S-EMCA, INT-777) as a potent and selective agonist for the TGR5 receptor, a novel target for diabesity.
AID587932Antagonist activity at FXR expressed in human HepG2 cells assessed as inhibition of CDCA-induced transactivation of FXR at 50 uM after 18 hrs by luminometric analysis2011Journal of medicinal chemistry, Mar-10, Volume: 54, Issue:5
Discovery of sulfated sterols from marine invertebrates as a new class of marine natural antagonists of farnesoid-X-receptor.
AID303511Activation of IBABP gene expression in human Caco-2 cells at 25 uM after 6 days by RT-PCR2007Journal of medicinal chemistry, Nov-29, Volume: 50, Issue:24
Synthesis, characterization, and receptor interaction profiles of enantiomeric bile acids.
AID1234671Antiparasitic activity against Trypanosoma cruzi strain CL Brener epimastigotes after 12 days by ELISA reader2015Bioorganic & medicinal chemistry, Aug-01, Volume: 23, Issue:15
Enzymatic synthesis of bile acid derivatives and biological evaluation against Trypanosoma cruzi.
AID592913Agonist activity at human GST-fused FXR LBD assessed as coactivator interaction with receptor ligand binding domain by Alphascreen assay2011Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8
Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine.
AID1165599Agonist activity at human FXR ligand binding domain assessed as induction of biotinylated SRC1 peptide recruitment at 4 uM by coactivator recruitment assay2014Journal of medicinal chemistry, Oct-23, Volume: 57, Issue:20
Exploitation of cholane scaffold for the discovery of potent and selective farnesoid X receptor (FXR) and G-protein coupled bile acid receptor 1 (GP-BAR1) ligands.
AID1059687Selectivity ratio of EC50 for TGR5 N76A mutant (unknown origin) to EC50 for wild type TGR5 (unknown origin)2013ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12
Probing the Binding Site of Bile Acids in TGR5.
AID1187912Agonist activity at GAL4 DNA binding domain tagged FXR ligand binding domain (unknown origin) expressed in human HepG2 cells assessed as receptor transactivation measured by relative luciferase activity at 10 uM by luciferase reporter gene based mammalian2014Bioorganic & medicinal chemistry letters, Sep-01, Volume: 24, Issue:17
Cryptochinones from Cryptocarya chinensis act as farnesoid X receptor agonists.
AID1232961Partial agonist activity at FXR in human HepG2 cells assessed as induction of SHP gene expression at 50 uM after 24 hrs by qRT-PCR analysis (Rvb = 100%)2015Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13
Fragmentation of GW4064 led to a highly potent partial farnesoid X receptor agonist with improved drug-like properties.
AID680230TP_TRANSPORTER: uptake of Chenodeoxycholate at 20 uM in Oatp1-expressing HeLa cells2003American journal of physiology. Gastrointestinal and liver physiology, Nov, Volume: 285, Issue:5
Substrate specificities of rat oatp1 and ntcp: implications for hepatic organic anion uptake.
AID680037TP_TRANSPORTER: inhibition of BSP uptake (BSP: 10 uM, CDCA: 200 uM) in Xenopus laevis oocytes1995Gastroenterology, Oct, Volume: 109, Issue:4
Molecular and functional characterization of an organic anion transporting polypeptide cloned from human liver.
AID1124818Activation of FXR (unknown origin) at 10 uM2014Bioorganic & medicinal chemistry, Apr-01, Volume: 22, Issue:7
Some non-conventional biomolecular targets for diamidines. A short survey.
AID1166192Agonist activity at FXR in human HepG2 cells assessed as induction of CYP7A1 mrNA expression at 50 uM by quantitative PCR method2014Journal of medicinal chemistry, Oct-09, Volume: 57, Issue:19
Extending the structure-activity relationship of anthranilic acid derivatives as farnesoid X receptor modulators: development of a highly potent partial farnesoid X receptor agonist.
AID1686061Drug metabolism in bile of fistula Wistar-Han rat model assessed as area under the curve of the biliary concentration corrected for the bile volume at 60 umol/kg, ID measured at 4 hrs by HPLC-ES-MS/MS analysis2016Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19
Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders.
AID441572Agonist activity at FXR expressed in COS1 cells by cell-based bioluminescence assay2009Journal of medicinal chemistry, Dec-24, Volume: 52, Issue:24
Discovery of 6alpha-ethyl-23(S)-methylcholic acid (S-EMCA, INT-777) as a potent and selective agonist for the TGR5 receptor, a novel target for diabesity.
AID303505Activation of SHP gene expression in human HepG2 cells at 25 uM after 18 hrs by RT-PCR2007Journal of medicinal chemistry, Nov-29, Volume: 50, Issue:24
Synthesis, characterization, and receptor interaction profiles of enantiomeric bile acids.
AID1609605Agonist activity at FXR in guggulsterone-treated human LO2 cells assessed as increase in SHP1 protein expression at 80 uM treated with FXR antagonist, guggulsterone for 24 hrs followed by incubation with compound for 24 hrs by western blot analysis2019European journal of medicinal chemistry, Nov-15, Volume: 182Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.
AID404304Effect on human MRP2-mediated estradiol-17-beta-glucuronide transport in Sf9 cells inverted membrane vesicles relative to control2008Journal of medicinal chemistry, Jun-12, Volume: 51, Issue:11
Prediction and identification of drug interactions with the human ATP-binding cassette transporter multidrug-resistance associated protein 2 (MRP2; ABCC2).
AID1451551Transactivation of FXR in human HepG2 cells assessed as PDK4 mRNA expression at 50 uM after 8 to 16 hrs by SYBR green based qRT-PCR analysis relative to DMSO control2017Journal of medicinal chemistry, 09-28, Volume: 60, Issue:18
A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis.
AID1059690Agonist activity at wild type TGR5 (unknown origin)2013ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12
Probing the Binding Site of Bile Acids in TGR5.
AID409878Cytotoxicity against human HCT116 cells after 24 hrs by neutral red uptake assay2008Bioorganic & medicinal chemistry, Sep-15, Volume: 16, Issue:18
New lithocholic and chenodeoxycholic piperazinylcarboxamides with antiproliferative and pro-apoptotic effects on human cancer cell lines.
AID680638TP_TRANSPORTER: inhibition of BSP uptake (BSP: 2 uM, CDCA: 100 uM) in Xenopus laevis oocytes1994Hepatology (Baltimore, Md.), Aug, Volume: 20, Issue:2
Functional characterization of the basolateral rat liver organic anion transporting polypeptide.
AID1063186Induction of necrosis in human HT1080 cells up to 500 uM after 24 hrs by annexin V-FITC/propidium iodide staining-based flow cytometric analysis2014Bioorganic & medicinal chemistry, Jan-01, Volume: 22, Issue:1
New highly toxic bile acids derived from deoxycholic acid, chenodeoxycholic acid and lithocholic acid.
AID1609593Agonist activity at FXR in human LO2 cells assessed as decrease in CYP7A1 protein expression at 80 uM after 24 hrs by Western blot analysis2019European journal of medicinal chemistry, Nov-15, Volume: 182Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.
AID1193333Agonist activity at human GPBAR1 expressed in HEK293 cells assessed as increase in intracellular cAMP level after 30 mins by cAMP-Glo assay2015Bioorganic & medicinal chemistry, Apr-01, Volume: 23, Issue:7
Stereoselective synthesis, biological evaluation, and modeling of novel bile acid-derived G-protein coupled bile acid receptor 1 (GP-BAR1, TGR5) agonists.
AID659712Agonist activity at human farnesoid X receptor expressed in human HepG2 cells at 5 uM after 24 hrs by dual-luciferase assay relative to control2012Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9
Nelumal A, the active principle from Ligularia nelumbifolia, is a novel farnesoid X receptor agonist.
AID441583Cholerectic effect in bile fistula rat model assessed as maximum bile secretion rate at 1 umol/min/kg administered intraduodenally over 1 hr2009Journal of medicinal chemistry, Dec-24, Volume: 52, Issue:24
Discovery of 6alpha-ethyl-23(S)-methylcholic acid (S-EMCA, INT-777) as a potent and selective agonist for the TGR5 receptor, a novel target for diabesity.
AID1351286Binding affinity to bovine serum albumin at 10 uM after 24 hrs by equilibrium dialysis method2018European journal of medicinal chemistry, Jan-20, Volume: 144Synthesis, physicochemical properties, and biological activity of bile acids 3-glucuronides: Novel insights into bile acid signalling and detoxification.
AID1079941Liver damage due to vascular disease: peliosis hepatitis, hepatic veno-occlusive disease, Budd-Chiari syndrome. Value is number of references indexed. [column 'VASC' in source]
AID1852829Anticancer activity against human SW480 cells assessed as inhibition of cell proliferation by MTT assay2022RSC medicinal chemistry, Nov-16, Volume: 13, Issue:11
Design and synthesis of bile acid derivatives and their activity against colon cancer.
AID672332Agonist activity at FXR LBD expressed in human HepG2 cells co-expressing GAL4 DBD and pG5-luc assessed as luciferase activity at 10 uM after 48 hrs by transient transfection reporter assay relative to control2012Bioorganic & medicinal chemistry letters, Jul-15, Volume: 22, Issue:14
Triterpenes from Alisma orientalis act as farnesoid X receptor agonists.
AID72526Effective concentration against Farnesoid X receptor (FXR)2002Journal of medicinal chemistry, Aug-15, Volume: 45, Issue:17
6alpha-ethyl-chenodeoxycholic acid (6-ECDCA), a potent and selective FXR agonist endowed with anticholestatic activity.
AID303496Activity at human VP16-FXR assessed as activation of SRC1 interaction domain 2 recruitment at 50 uM by mammalian two-hybrid assay2007Journal of medicinal chemistry, Nov-29, Volume: 50, Issue:24
Synthesis, characterization, and receptor interaction profiles of enantiomeric bile acids.
AID388375Agonist activity at FXR assessed as activation by cell based luciferase transactivation assay at 10 uM2008Bioorganic & medicinal chemistry letters, Oct-15, Volume: 18, Issue:20
Pyrazolidine-3,5-dione derivatives as potent non-steroidal agonists of farnesoid X receptor: virtual screening, synthesis, and biological evaluation.
AID1233559Antiplasmodial activity against Plasmodium falciparum 3D7 assessed as reduction in parasite viability by parasite lactate dehydrogenase assay2015European journal of medicinal chemistry, Jul-15, Volume: 100Structure-activity relationship of hybrids of Cinchona alkaloids and bile acids with in vitro antiplasmodial and antitrypanosomal activities.
AID1451493Transactivation of FXR in human HepG2 cells assessed as BSEP mRNA expression at 50 uM after 8 to 16 hrs by SYBR green based qRT-PCR analysis relative to DMSO control2017Journal of medicinal chemistry, 09-28, Volume: 60, Issue:18
A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis.
AID6737491-Octanol/water partition coefficient, log P of the compound by conventional shake-flask method2012ACS medicinal chemistry letters, Apr-12, Volume: 3, Issue:4
Avicholic Acid: A Lead Compound from Birds on the Route to Potent TGR5 Modulators.
AID1412050Antiangiogenic activity in HUVEC assessed as inhibition of endothelial tube formation at 25 uM after overnight incubation by inverted microscopic analysis2017MedChemComm, Dec-01, Volume: 8, Issue:12
Deciphering the role of hydrophobic and hydrophilic bile acids in angiogenesis using
AID1059684Agonist activity at TGR5 N93A mutant (unknown origin)2013ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12
Probing the Binding Site of Bile Acids in TGR5.
AID1686033Critical micelle concentration in 0.15 M NaCl water solution2016Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19
Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders.
AID422555Antagonist activity at human FXR transfected in human HuH7 cells co-transfected with human BSEP promoter reporter plasmid at 10 uM after 30 hrs by dual-luciferase reporter assay relative to chenodeoxycholate2009Journal of natural products, Jan, Volume: 72, Issue:1
Effect of guggulsterone and cembranoids of Commiphora mukul on pancreatic phospholipase A(2): role in hypocholesterolemia.
AID1412053Pro-angiogenic activity in Tg(fli:eGFP) zebrafish embryo assessed as increase in branching of sub-intestinal veins at 12.5 uM after 72 hrs post fertilization by fluorescence microscopic analysis2017MedChemComm, Dec-01, Volume: 8, Issue:12
Deciphering the role of hydrophobic and hydrophilic bile acids in angiogenesis using
AID588214FDA HLAED, liver enzyme composite activity2004Current drug discovery technologies, Dec, Volume: 1, Issue:4
Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID294206Inhibition of FXR in HEK293 cells in presence of CDCA at 100 uM by GAL4 transactivation activity2007Bioorganic & medicinal chemistry, Apr-01, Volume: 15, Issue:7
Design, synthesis, and evaluation of non-steroidal farnesoid X receptor (FXR) antagonist.
AID441581Cholerectic effect in bile fistula rat model assessed as maximum bile secretion rate at 1 umol/min/kg, iv over 1 hr2009Journal of medicinal chemistry, Dec-24, Volume: 52, Issue:24
Discovery of 6alpha-ethyl-23(S)-methylcholic acid (S-EMCA, INT-777) as a potent and selective agonist for the TGR5 receptor, a novel target for diabesity.
AID1451530Transactivation of FXR in human HepG2 cells assessed as SHP mRNA expression at 50 uM after 8 to 16 hrs by SYBR green based qRT-PCR analysis relative to DMSO control2017Journal of medicinal chemistry, 09-28, Volume: 60, Issue:18
A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis.
AID1166204Agonist activity at FXR in human HepG2 cells assessed as induction of BSEP mrNA expression at 50 uM by quantitative PCR method2014Journal of medicinal chemistry, Oct-09, Volume: 57, Issue:19
Extending the structure-activity relationship of anthranilic acid derivatives as farnesoid X receptor modulators: development of a highly potent partial farnesoid X receptor agonist.
AID1059678Agonist activity at TGR5 N76A mutant (unknown origin)2013ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12
Probing the Binding Site of Bile Acids in TGR5.
AID673750Aqueous solubility of the compound in 0.1 M HCl water at pH 3 by HPLC-ES-MS/MS2012ACS medicinal chemistry letters, Apr-12, Volume: 3, Issue:4
Avicholic Acid: A Lead Compound from Birds on the Route to Potent TGR5 Modulators.
AID1609607Agonist activity at FXR in guggulsterone-treated human LO2 cells assessed as increase in MRP2 protein expression at 80 uM treated with FXR antagonist, guggulsterone for 24 hrs followed by incubation with compound for 24 hrs by western blot analysis2019European journal of medicinal chemistry, Nov-15, Volume: 182Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.
AID659715Agonist activity at human farnesoid X receptor expressed in human HepG2 cells at 50 uM after 24 hrs by dual-luciferase assay relative to control2012Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9
Nelumal A, the active principle from Ligularia nelumbifolia, is a novel farnesoid X receptor agonist.
AID441580Metabolic stability in bile fistula rat model assessed as conjugated drug level recovered in bile at 1 umol/min/kg administered intraduodenally over 1 hr2009Journal of medicinal chemistry, Dec-24, Volume: 52, Issue:24
Discovery of 6alpha-ethyl-23(S)-methylcholic acid (S-EMCA, INT-777) as a potent and selective agonist for the TGR5 receptor, a novel target for diabesity.
AID1609591Agonist activity at FXR in human LO2 cells assessed as increase in MRP2 protein expression at 80 uM after 24 hrs by Western blot analysis2019European journal of medicinal chemistry, Nov-15, Volume: 182Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.
AID1609592Agonist activity at FXR in human LO2 cells assessed as increase in SULT2A protein expression at 80 uM after 24 hrs by Western blot analysis2019European journal of medicinal chemistry, Nov-15, Volume: 182Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.
AID324925Agonist activity at human FXR expressed in COS1 cells by luciferase assay2008Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6
Novel potent and selective bile acid derivatives as TGR5 agonists: biological screening, structure-activity relationships, and molecular modeling studies.
AID624618Specific activity of expressed human recombinant UGT2B42000Annual review of pharmacology and toxicology, , Volume: 40Human UDP-glucuronosyltransferases: metabolism, expression, and disease.
AID635574Agonist activity at FXR in human HepG2 cells assessed as decrease in CYP7A1 mRNA expression at 50 uM after 6 hrs by quantitative PCR analysis2011Bioorganic & medicinal chemistry, Dec-01, Volume: 19, Issue:23
Pharmacophore-based discovery of FXR agonists. Part I: Model development and experimental validation.
AID625295Drug Induced Liver Injury Prediction System (DILIps) validation dataset; compound DILI positive/negative as observed in Pfizer data2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID1686052Drug metabolism in bile of fistula Wistar-Han rat model assessed as maximum bile secretion at 60 umol/kg, iv by HPLC-ES-MS/MS analysis2016Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19
Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders.
AID588215FDA HLAED, alkaline phosphatase increase2004Current drug discovery technologies, Dec, Volume: 1, Issue:4
Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID673745Agonist activity at TGR5 expressed in NCI-H716 cells assessed as cAMP level after 60 mins by FRET analysis relative to 10 uM LCA2012ACS medicinal chemistry letters, Apr-12, Volume: 3, Issue:4
Avicholic Acid: A Lead Compound from Birds on the Route to Potent TGR5 Modulators.
AID1686034Surface tension value in 0.15 M NaCl water solution2016Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19
Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders.
AID1451541Transactivation of FXR in human HepG2 cells assessed as SREBP1c mRNA expression at 50 uM after 8 to 16 hrs by SYBR green based qRT-PCR analysis relative to DMSO control2017Journal of medicinal chemistry, 09-28, Volume: 60, Issue:18
A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis.
AID673751Binding affinity to albumin by equilibrium dialysis2012ACS medicinal chemistry letters, Apr-12, Volume: 3, Issue:4
Avicholic Acid: A Lead Compound from Birds on the Route to Potent TGR5 Modulators.
AID409876Cytotoxicity against human GBM cells at 50 uM after 24 hrs by neutral red uptake assay2008Bioorganic & medicinal chemistry, Sep-15, Volume: 16, Issue:18
New lithocholic and chenodeoxycholic piperazinylcarboxamides with antiproliferative and pro-apoptotic effects on human cancer cell lines.
AID1609594Agonist activity at FXR in human LO2 cells assessed as decrease in CYP8B1 protein expression at 80 uM after 24 hrs by Western blot analysis2019European journal of medicinal chemistry, Nov-15, Volume: 182Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.
AID1079931Moderate liver toxicity, defined via clinical-chemistry results: ALT or AST serum activity 6 times the normal upper limit (N) or alkaline phosphatase serum activity of 1.7 N. Value is number of references indexed. [column 'BIOL' in source]
AID72525Binding affinity for Farnesoid X Receptor (FXR)2003Bioorganic & medicinal chemistry letters, Jun-02, Volume: 13, Issue:11
Binding mode of 6ECDCA, a potent bile acid agonist of the farnesoid X receptor (FXR).
AID54341Sensitivity value towards cyclodextrin conjugated peptide (with pyrene) at 25 degrees Centigrade2003Bioorganic & medicinal chemistry letters, Dec-15, Volume: 13, Issue:24
Fluorescence resonance energy transfer in a novel cyclodextrin-peptide conjugate for detecting steroid molecules.
AID1852832Anticancer activity against human A549 cells assessed as inhibition of cell proliferation by MTT assay2022RSC medicinal chemistry, Nov-16, Volume: 13, Issue:11
Design and synthesis of bile acid derivatives and their activity against colon cancer.
AID679790TP_TRANSPORTER: inhibition of Daunomycin uptake in canalicular membrane vesicles1994Hepatology (Baltimore, Md.), Jul, Volume: 20, Issue:1 Pt 1
Bile acid inhibition of P-glycoprotein-mediated transport in multidrug-resistant cells and rat liver canalicular membrane vesicles.
AID672341Agonist activity at FXR LBD expressed in human HepG2 cells co-expressing GAL4 DBD and pG5-luc assessed as PLTP promoter-driven luciferase activity at 10 uM after 48 hrs by transient transfection reporter assay relative to control2012Bioorganic & medicinal chemistry letters, Jul-15, Volume: 22, Issue:14
Triterpenes from Alisma orientalis act as farnesoid X receptor agonists.
AID1233565Cytotoxicity against human WI38 cells assessed as inhibition of cell growth at 100 ug/ml by MTT assay2015European journal of medicinal chemistry, Jul-15, Volume: 100Structure-activity relationship of hybrids of Cinchona alkaloids and bile acids with in vitro antiplasmodial and antitrypanosomal activities.
AID515399Cytotoxicity against human HuH7 cells assessed as cell viability at 500 uM after 24 hrs by MTT assay relative to control2010Bioorganic & medicinal chemistry, Sep-15, Volume: 18, Issue:18
Bile acid toxicity structure-activity relationships: correlations between cell viability and lipophilicity in a panel of new and known bile acids using an oesophageal cell line (HET-1A).
AID303498Activation of human FXR/RXRalpha heterodimer at 50 uM by FXRE TK-luciferase reporter gene assay relative to control2007Journal of medicinal chemistry, Nov-29, Volume: 50, Issue:24
Synthesis, characterization, and receptor interaction profiles of enantiomeric bile acids.
AID1277420Cytotoxicity against HEK293T cells assessed as reduction in cell viability after 18 hrs by CellTiter-Glo luminescence assay2016European journal of medicinal chemistry, Feb-15, Volume: 109Synthesis and evaluation of vitamin D receptor-mediated activities of cholesterol and vitamin D metabolites.
AID679473TP_TRANSPORTER: Western in vitro, primary human hepatocyte2001The Journal of biological chemistry, Oct-19, Volume: 276, Issue:42
Disrupted bile acid homeostasis reveals an unexpected interaction among nuclear hormone receptors, transporters, and cytochrome P450.
AID388376Agonist activity at FXR assessed as activation by cell based luciferase transactivation assay2008Bioorganic & medicinal chemistry letters, Oct-15, Volume: 18, Issue:20
Pyrazolidine-3,5-dione derivatives as potent non-steroidal agonists of farnesoid X receptor: virtual screening, synthesis, and biological evaluation.
AID1161667Agonist activity at human GPBAR1 expressed in HEK293T cells assessed as stimulation of cAMP response element-mediated receptor transactivation at 10 uM by luciferase reporter gene assay2014Journal of medicinal chemistry, Sep-25, Volume: 57, Issue:18
Modification on ursodeoxycholic acid (UDCA) scaffold. discovery of bile acid derivatives as selective agonists of cell-surface G-protein coupled bile acid receptor 1 (GP-BAR1).
AID441578Binding affinity to albumin2009Journal of medicinal chemistry, Dec-24, Volume: 52, Issue:24
Discovery of 6alpha-ethyl-23(S)-methylcholic acid (S-EMCA, INT-777) as a potent and selective agonist for the TGR5 receptor, a novel target for diabesity.
AID1313848Agonist activity at FXR (unknown origin)2016Bioorganic & medicinal chemistry, 09-15, Volume: 24, Issue:18
Novel FXR (farnesoid X receptor) modulators: Potential therapies for cholesterol gallstone disease.
AID1063178Induction of necrosis in human Caco2 cells up to 500 uM after 24 hrs by annexin V-FITC/propidium iodide staining-based flow cytometric analysis2014Bioorganic & medicinal chemistry, Jan-01, Volume: 22, Issue:1
New highly toxic bile acids derived from deoxycholic acid, chenodeoxycholic acid and lithocholic acid.
AID629094Agonist activity at full length mouse FXR/RXRalpha expressed in human HEK293 cells assessed as induction of transcriptional activity after 18 hrs by dual luciferase reporter gene assay2011Bioorganic & medicinal chemistry, Nov-15, Volume: 19, Issue:22
Pharmacophore-based discovery of FXR-agonists. Part II: identification of bioactive triterpenes from Ganoderma lucidum.
AID1609611Agonist activity at FXR in guggulsterone-treated human LO2 cells assessed as reduction in NTCP protein expression at 80 uM treated with FXR antagonist, guggulsterone for 24 hrs followed by incubation with compound for 24 hrs by western blot analysis2019European journal of medicinal chemistry, Nov-15, Volume: 182Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.
AID1609589Agonist activity at FXR in human LO2 cells assessed as increase in SHP1 protein expression at 80 uM after 24 hrs by Western blot analysis2019European journal of medicinal chemistry, Nov-15, Volume: 182Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.
AID1412075Increase in wound healing in HUVEC at 12.5 uM after 18 to 24 hrs by phase contrast microscopic analysis2017MedChemComm, Dec-01, Volume: 8, Issue:12
Deciphering the role of hydrophobic and hydrophilic bile acids in angiogenesis using
AID1847971Invivo antagonist activity against FXR in mouse assessed as reduction in Fxr level at 50 uM2022Journal of medicinal chemistry, 10-13, Volume: 65, Issue:19
Discovery of Betulinic Acid Derivatives as Potent Intestinal Farnesoid X Receptor Antagonists to Ameliorate Nonalcoholic Steatohepatitis.
AID592923Induction of FXR-mediated Ostbeta mRNA expression in human HepG2 cells at 1 uM by RT-PCR2011Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8
Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine.
AID1412072Pro-angiogenic activity in HUVEC assessed as decrease in cell-to-cell contact at 12.5 uM after overnight incubation by FITC-conjugated phalloidin staining based confocal microscopic analysis2017MedChemComm, Dec-01, Volume: 8, Issue:12
Deciphering the role of hydrophobic and hydrophilic bile acids in angiogenesis using
AID1779666Agonist activity at human BLT2 overexpressed in CHO-K1 cells assessed as accumulation of inositol monophosphate measured after 90 mins by HTRF assay2021ACS medicinal chemistry letters, Aug-12, Volume: 12, Issue:8
Discovery of Irbesartan Derivatives as BLT2 Agonists by Virtual Screening.
AID1412049Induction of angiogenesis in HUVEC assessed as increase in number of nodes at 12.5 uM after overnight incubation by inverted microscopic analysis relative to control2017MedChemComm, Dec-01, Volume: 8, Issue:12
Deciphering the role of hydrophobic and hydrophilic bile acids in angiogenesis using
AID1609587Agonist activity at FXR in guggulsterone-treated human LO2 cells assessed as increase in UGT2A4 mRNA expression at 80 uM treated with FXR antagonist, guggulsterone for 24 hrs followed by incubation with compound for 24 hrs by RT-qPCR analysis2019European journal of medicinal chemistry, Nov-15, Volume: 182Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.
AID1686055Drug metabolism in bile of fistula Wistar-Han rat model assessed as maximum biliary secretion at 60 umol/kg, ID by HPLC-ES-MS/MS analysis2016Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19
Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders.
AID240314Effective concentration for recruitment of SRC-1 LxxLL-containing peptide to human Farnesoid X receptor2005Journal of medicinal chemistry, Aug-25, Volume: 48, Issue:17
Farnesoid X receptor: from structure to potential clinical applications.
AID681332TP_TRANSPORTER: inhibition of Taurocholate uptake in ASBT-expressing COS cells1998The American journal of physiology, 01, Volume: 274, Issue:1
Expression and transport properties of the human ileal and renal sodium-dependent bile acid transporter.
AID72531Ligand dependent recruitment of SRC1(676-700) peptide to human Farnesoid X-activated receptor by fluorescence resonance energy transfer assay2000Journal of medicinal chemistry, Aug-10, Volume: 43, Issue:16
Identification of a chemical tool for the orphan nuclear receptor FXR.
AID1233569Antiplasmodial activity against Plasmodium falciparum 3D7 assessed as inhibition of parasite viability at 100 ug/ml by parasite lactate dehydrogenase assay2015European journal of medicinal chemistry, Jul-15, Volume: 100Structure-activity relationship of hybrids of Cinchona alkaloids and bile acids with in vitro antiplasmodial and antitrypanosomal activities.
AID673744Agonist activity at TGR5 expressed in NCI-H716 cells assessed as cAMP level after 60 mins by FRET analysis2012ACS medicinal chemistry letters, Apr-12, Volume: 3, Issue:4
Avicholic Acid: A Lead Compound from Birds on the Route to Potent TGR5 Modulators.
AID1412060Pro-angiogenic activity in Tg(fli:eGFP) zebrafish embryo assessed as sub-intestinal vein baskets extending towards ventral side at 12.5 uM after 72 hrs post fertilization by fluorescence microscopic analysis2017MedChemComm, Dec-01, Volume: 8, Issue:12
Deciphering the role of hydrophobic and hydrophilic bile acids in angiogenesis using
AID1232963Partial agonist activity at FXR in human HepG2 cells assessed as induction of OST-alpha gene expression at 50 uM after 24 hrs by qRT-PCR analysis (Rvb = 100%)2015Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13
Fragmentation of GW4064 led to a highly potent partial farnesoid X receptor agonist with improved drug-like properties.
AID1451554Transactivation of FXR in human HepG2 cells assessed as FABP1 mRNA expression at 50 uM after 8 to 16 hrs by SYBR green based qRT-PCR analysis relative to DMSO control2017Journal of medicinal chemistry, 09-28, Volume: 60, Issue:18
A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis.
AID588209Literature-mined public compounds from Greene et al multi-species hepatotoxicity modelling dataset2010Chemical research in toxicology, Jul-19, Volume: 23, Issue:7
Developing structure-activity relationships for the prediction of hepatotoxicity.
AID592925Induction of FXR-mediated down-regulation of Cyp7A1 mRNA expression in human HepG2 cells at 20 uM by RT-PCR2011Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8
Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine.
AID1852825Anticancer activity against human HT-29 cells assessed as inhibition of cell proliferation by MTT assay2022RSC medicinal chemistry, Nov-16, Volume: 13, Issue:11
Design and synthesis of bile acid derivatives and their activity against colon cancer.
AID1686054Drug metabolism in bile of fistula Wistar-Han rat model assessed as maximum biliary secretion at 60 umol/kg, iv by HPLC-ES-MS/MS analysis2016Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19
Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders.
AID1079947Comments (NB not yet translated). [column 'COMMENTAIRES' in source]
AID1443991Induction of mitochondrial dysfunction in Sprague-Dawley rat liver mitochondria assessed as inhibition of mitochondrial respiration per mg mitochondrial protein measured for 20 mins by A65N-1 oxygen probe based fluorescence assay2014Hepatology (Baltimore, Md.), Sep, Volume: 60, Issue:3
Human drug-induced liver injury severity is highly associated with dual inhibition of liver mitochondrial function and bile salt export pump.
AID1412065Increase in VEGFR2 m-RNA expression in HUVEC at 12.5 uM after 12 to 24 hrs by RT-qPCR analysis2017MedChemComm, Dec-01, Volume: 8, Issue:12
Deciphering the role of hydrophobic and hydrophilic bile acids in angiogenesis using
AID303494Antagonist activity at human FXR expressed in HEK293 cells assessed as inhibition of GW-4064-induced response at 100 uM by GAL4 activation assay2007Journal of medicinal chemistry, Nov-29, Volume: 50, Issue:24
Synthesis, characterization, and receptor interaction profiles of enantiomeric bile acids.
AID1079936Choleostatic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is < 2 (see ACUTE). Value is number of references indexed. [column 'CHOLE' in source]
AID592921Induction of FXR-mediated BSEP mRNA expression in human HepG2 cells at 1 uM by RT-PCR2011Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8
Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine.
AID592917Agonist activity at human TGR5 receptor expressed in NCI-H716 cells assessed as intracellular cAMP level by TR-FRET assay2011Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8
Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine.
AID587939Activation of FXR expressed in human HepG2 cells assessed as dissociation of NCoR from OSTalpha promoter at 50 uM after 18 hrs by chromatin immunoprecipitation2011Journal of medicinal chemistry, Mar-10, Volume: 54, Issue:5
Discovery of sulfated sterols from marine invertebrates as a new class of marine natural antagonists of farnesoid-X-receptor.
AID1166198Agonist activity at FXR in human HepG2 cells assessed as induction of OSTalpha mrNA expression at 50 uM by quantitative PCR method2014Journal of medicinal chemistry, Oct-09, Volume: 57, Issue:19
Extending the structure-activity relationship of anthranilic acid derivatives as farnesoid X receptor modulators: development of a highly potent partial farnesoid X receptor agonist.
AID1443992Total Cmax in human administered as single dose2014Hepatology (Baltimore, Md.), Sep, Volume: 60, Issue:3
Human drug-induced liver injury severity is highly associated with dual inhibition of liver mitochondrial function and bile salt export pump.
AID673748Critical micelle concentration of the compound in 0.15 M NaCl water solution2012ACS medicinal chemistry letters, Apr-12, Volume: 3, Issue:4
Avicholic Acid: A Lead Compound from Birds on the Route to Potent TGR5 Modulators.
AID1138165Induction of cAMP production in GP-BAR1-deficient HEK293T cells at 10 uM by cAMP responsive element containing luciferase reporter gene assay2014Journal of medicinal chemistry, Feb-13, Volume: 57, Issue:3
Design, synthesis, and biological evaluation of potent dual agonists of nuclear and membrane bile acid receptors.
AID1327991Antiproliferative activity against human ES2 cells after 48 hrs by SRB assay2016European journal of medicinal chemistry, Oct-21, Volume: 122Novel 3,4-seco bile acid diamides as selective anticancer proliferation and migration agents.
AID422543Reduction in human pancreatic recombinant 1B PLA2 activity expressed in Escherichia coli assessed as hydrolysis of 1,2-dimyristoyl-sn-3-glycerophosphocholine vesicles at 0.03 mol fraction relative to cholate2009Journal of natural products, Jan, Volume: 72, Issue:1
Effect of guggulsterone and cembranoids of Commiphora mukul on pancreatic phospholipase A(2): role in hypocholesterolemia.
AID1079938Chronic liver disease either proven histopathologically, or through a chonic elevation of serum amino-transferase activity after 6 months. Value is number of references indexed. [column 'CHRON' in source]
AID1686015Agonist activity at glutathione transferase-tagged human FXR-LBD using biotinylated Src-1 peptide incubated for 30 mins by recruitment coactivator assay2016Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19
Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders.
AID297453Ratio of EC50 for TGR5 expressed in CHO cells to EC50 for FXR expressed in COS1 cells2007Journal of medicinal chemistry, Sep-06, Volume: 50, Issue:18
Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5.
AID977599Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM2013Molecular pharmacology, Jun, Volume: 83, Issue:6
Structure-based identification of OATP1B1/3 inhibitors.
AID1079933Acute liver toxicity defined via clinical observations and clear clinical-chemistry results: serum ALT or AST activity > 6 N or serum alkaline phosphatases activity > 1.7 N. This category includes cytolytic, choleostatic and mixed liver toxicity. Value is
AID1349338Agonist activity at human FXR assessed as recruitment of SRC1 peptide by TR-FRET assay2017ACS medicinal chemistry letters, Dec-14, Volume: 8, Issue:12
Synthesis and Biological Evaluation of a Series of Bile Acid Derivatives as FXR Agonists for Treatment of NASH.
AID1059685Selectivity ratio of EC50 for TGR5 S270A mutant (unknown origin) to EC50 for wild type TGR5 (unknown origin)2013ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12
Probing the Binding Site of Bile Acids in TGR5.
AID1686060Drug metabolism in bile of fistula Wistar-Han rat model assessed as area under the curve of the biliary concentration corrected for the bile volume at 60 umol/kg, iv measured at 4 hrs by HPLC-ES-MS/MS analysis2016Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19
Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders.
AID303504Activation of SHP gene expression in human Huh7 cells at 20 uM after 18 hrs by RT-PCR2007Journal of medicinal chemistry, Nov-29, Volume: 50, Issue:24
Synthesis, characterization, and receptor interaction profiles of enantiomeric bile acids.
AID1059689Selectivity ratio of EC50 for TGR5 E169A mutant (unknown origin) to EC50 for wild type TGR5 (unknown origin)2013ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12
Probing the Binding Site of Bile Acids in TGR5.
AID1412054Pro-angiogenic activity in Tg(fli:eGFP) zebrafish embryo assessed as increase in sprouting and branching of sub-intestinal vessels (after 72 hrs post fertilization by fluorescence microscopic analysis2017MedChemComm, Dec-01, Volume: 8, Issue:12
Deciphering the role of hydrophobic and hydrophilic bile acids in angiogenesis using
AID1609595Agonist activity at FXR in human LO2 cells assessed as decrease in NTCP protein expression at 80 uM after 24 hrs by Western blot analysis2019European journal of medicinal chemistry, Nov-15, Volume: 182Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.
AID409890Cytotoxicity against human HCT116 cells at 25 uM after 24 hrs by neutral red uptake assay2008Bioorganic & medicinal chemistry, Sep-15, Volume: 16, Issue:18
New lithocholic and chenodeoxycholic piperazinylcarboxamides with antiproliferative and pro-apoptotic effects on human cancer cell lines.
AID1161670Antagonist activity against FXR (unknown origin) expressed in human HepG2 cells assessed as inhibition of CDCA-induced stimulation of FXR response element IR1-mediated receptor transactivation at 50 uM by luciferase reporter gene assay2014Journal of medicinal chemistry, Sep-25, Volume: 57, Issue:18
Modification on ursodeoxycholic acid (UDCA) scaffold. discovery of bile acid derivatives as selective agonists of cell-surface G-protein coupled bile acid receptor 1 (GP-BAR1).
AID1569579Agonist activity at recombinant human TGR5 expressed in CHO cells assessed as increase in cAMP accumulation after 30 mins by TR-FRET assay relative to control2019Journal of medicinal chemistry, 07-25, Volume: 62, Issue:14
7-Methylation of Chenodeoxycholic Acid Derivatives Yields a Substantial Increase in TGR5 Receptor Potency.
AID702678Agonist activity at GST tagged human recombinant FXRalphaLBD expressed in Escherichia coli BL21 cells assessed as SRC-1 co-activator association after 30 mins by HTRF assay2012Journal of medicinal chemistry, Aug-23, Volume: 55, Issue:16
Discovery and optimization of 1,3,4-trisubstituted-pyrazolone derivatives as novel, potent, and nonsteroidal farnesoid X receptor (FXR) selective antagonists.
AID1412074Induction of angiogenesis in HUVEC assessed as increase in tube length at 12.5 uM after overnight incubation by inverted microscopic analysis2017MedChemComm, Dec-01, Volume: 8, Issue:12
Deciphering the role of hydrophobic and hydrophilic bile acids in angiogenesis using
AID297450Agonist activity at human TGR5 expressed in CHO cells after 5 hrs by CRE-driven luciferase reporter gene assay2007Journal of medicinal chemistry, Sep-06, Volume: 50, Issue:18
Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5.
AID1166181Agonist activity at human FXR expressed in human HeLa cells assessed as receptor activation by BSEP promoter-driven firefly luciferase reporter gene assay2014Journal of medicinal chemistry, Oct-09, Volume: 57, Issue:19
Extending the structure-activity relationship of anthranilic acid derivatives as farnesoid X receptor modulators: development of a highly potent partial farnesoid X receptor agonist.
AID409891Cytotoxicity against human KMS11 cells at 25 uM after 24 hrs by neutral red uptake assay2008Bioorganic & medicinal chemistry, Sep-15, Volume: 16, Issue:18
New lithocholic and chenodeoxycholic piperazinylcarboxamides with antiproliferative and pro-apoptotic effects on human cancer cell lines.
AID672338Agonist activity at FXR LBD expressed in human HepG2 cells co-expressing GAL4 DBD and pG5-luc assessed as transrepression of rat CYP7A1 promoter-driven luciferase activity at 10 uM after 48 hrs by transient transfection reporter assay relative to control2012Bioorganic & medicinal chemistry letters, Jul-15, Volume: 22, Issue:14
Triterpenes from Alisma orientalis act as farnesoid X receptor agonists.
AID1442220Binding affinity to FXR-LBD (unknown origin) assessed as melting temperature at 200 mM by CD spectroscopic method (Rvb = 46 +/- 0.1 degC)2017European journal of medicinal chemistry, Mar-31, Volume: 129Synthesis and biological evaluations of chalcones, flavones and chromenes as farnesoid x receptor (FXR) antagonists.
AID72530Farnesoid X-activated receptor activity compared to 50 uM chenodeoxycholic acid (CDCA)2000Journal of medicinal chemistry, Aug-10, Volume: 43, Issue:16
Identification of a chemical tool for the orphan nuclear receptor FXR.
AID441585Metabolic stability in bile fistula rat model assessed as intact drug level recovered in bile at 1 umol/min/kg, iv over 1 hr2009Journal of medicinal chemistry, Dec-24, Volume: 52, Issue:24
Discovery of 6alpha-ethyl-23(S)-methylcholic acid (S-EMCA, INT-777) as a potent and selective agonist for the TGR5 receptor, a novel target for diabesity.
AID1232965Partial agonist activity at FXR in human HT-29 cells assessed as induction of IBABP gene expression at 50 uM after 24 hrs by qRT-PCR analysis (Rvb = 100%)2015Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13
Fragmentation of GW4064 led to a highly potent partial farnesoid X receptor agonist with improved drug-like properties.
AID660288Induction of apoptosis in human multinucleated osteoclasts obtained from PBMC assessed as formation of apoptotic nuclear bodies at 10'-5 M after 7 days by Hoechst 33258 staining2012European journal of medicinal chemistry, Jun, Volume: 52Synthesis, characterization and biological activity of hydroxyl-bisphosphonic analogs of bile acids.
AID1546885Agonist activity at FXR (unknown origin)2020Journal of medicinal chemistry, 05-28, Volume: 63, Issue:10
The Race to Bash NASH: Emerging Targets and Drug Development in a Complex Liver Disease.
AID1412052Pro-angiogenic activity in Tg(fli:eGFP) zebrafish embryo assessed as increase in sprouting of sub-intestinal veins at 12.5 uM after 72 hrs post fertilization by fluorescence microscopic analysis2017MedChemComm, Dec-01, Volume: 8, Issue:12
Deciphering the role of hydrophobic and hydrophilic bile acids in angiogenesis using
AID409883Cytotoxicity against human HCT116 cells at 50 uM after 48 hrs by neutral red uptake assay2008Bioorganic & medicinal chemistry, Sep-15, Volume: 16, Issue:18
New lithocholic and chenodeoxycholic piperazinylcarboxamides with antiproliferative and pro-apoptotic effects on human cancer cell lines.
AID1446797Agonist activity at FXR (unknown origin) assessed as recruitment of SRC1 peptide to FXR by FRET assay2017Journal of medicinal chemistry, 07-13, Volume: 60, Issue:13
Opportunities and Challenges for Fatty Acid Mimetics in Drug Discovery.
AID680004TP_TRANSPORTER: inhibition of Taurocholate uptake (Taurochorate: 10 uM, CDCA: 200 uM) in Xenopus laevis oocytes1995Gastroenterology, Oct, Volume: 109, Issue:4
Molecular and functional characterization of an organic anion transporting polypeptide cloned from human liver.
AID16860351-octanol-water partition coefficient, logP of compound as ionized species2016Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19
Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders.
AID1686058Drug metabolism in bile of fistula Wistar-Han rat model assessed as taurine conjugate formation at 60 umol/kg, iv by HPLC-ES-MS/MS analysis2016Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19
Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders.
AID1277417Antagonist activity against VP16 tagged-VDR-LBD (unknown origin) expressed in HEK293T cells assessed as inhibition of 1,25-dihydroxyvitamin D3-induced SRC1 coactivator peptide recruitment after 16 hrs by luciferase reporter gene based two hybrid assay2016European journal of medicinal chemistry, Feb-15, Volume: 109Synthesis and evaluation of vitamin D receptor-mediated activities of cholesterol and vitamin D metabolites.
AID1686036Binding affinity to human serum albumin2016Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19
Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders.
AID1079949Proposed mechanism(s) of liver damage. [column 'MEC' in source]
AID269847Agonist activity at FXR in HepG2 cells by luciferase activity relative to DMSO at 10 uM2006Bioorganic & medicinal chemistry letters, Aug-15, Volume: 16, Issue:16
Identification of a lead pharmacophore for the development of potent nuclear receptor modulators as anticancer and X syndrome disease therapeutic agents.
AID1351284Octanol-phosphate buffer distribution coefficient, log P of the compound at pH 7.4 at 1 uM after 24 hrs by shake flask method2018European journal of medicinal chemistry, Jan-20, Volume: 144Synthesis, physicochemical properties, and biological activity of bile acids 3-glucuronides: Novel insights into bile acid signalling and detoxification.
AID1852828Anticancer activity against human LoVo cells assessed as inhibition of cell proliferation by MTT assay2022RSC medicinal chemistry, Nov-16, Volume: 13, Issue:11
Design and synthesis of bile acid derivatives and their activity against colon cancer.
AID303492Activation of human PXR expressed in HEK293 cells at 20 uM by GAL4 activation assay relative to control2007Journal of medicinal chemistry, Nov-29, Volume: 50, Issue:24
Synthesis, characterization, and receptor interaction profiles of enantiomeric bile acids.
AID1412040Toxicity in zebrafish embryo assessed as reduction in embryo survival up to 50 uM2017MedChemComm, Dec-01, Volume: 8, Issue:12
Deciphering the role of hydrophobic and hydrophilic bile acids in angiogenesis using
AID1443906Antibacterial activity against Clostridium difficile NAP1 assessed as concentration required for complete inhibition of TCA-induced spore germination measured after 20 mins under anaerobic condition2017Journal of medicinal chemistry, 04-27, Volume: 60, Issue:8
Synthesis and Biological Evaluation of Bile Acid Analogues Inhibitory to Clostridium difficile Spore Germination.
AID1059686Selectivity ratio of EC50 for TGR5 Y89F mutant (unknown origin) to EC50 for wild type TGR5 (unknown origin)2013ACS medicinal chemistry letters, Dec-12, Volume: 4, Issue:12
Probing the Binding Site of Bile Acids in TGR5.
AID1327989Antiproliferative activity against human PC3M cells after 48 hrs by SRB assay2016European journal of medicinal chemistry, Oct-21, Volume: 122Novel 3,4-seco bile acid diamides as selective anticancer proliferation and migration agents.
AID1633314Agonist activity at GST-tagged FXR-LBD (unknown origin) assessed as biotin-labeled SRC-1 recruitment at 5 uM after 30 mins by Alpha Screen assay relative to 6-ECDCA2019ACS medicinal chemistry letters, Apr-11, Volume: 10, Issue:4
Novel Isoxazole Derivatives with Potent FXR Agonistic Activity Prevent Acetaminophen-Induced Liver Injury.
AID1079948Times to onset, minimal and maximal, observed in the indexed observations. [column 'DELAI' in source]
AID1451534Transactivation of FXR in human HepG2 cells assessed as CYP7A1 mRNA expression at 50 uM after 8 to 16 hrs by SYBR green based qRT-PCR analysis relative to DMSO control2017Journal of medicinal chemistry, 09-28, Volume: 60, Issue:18
A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis.
AID1609609Agonist activity at FXR in guggulsterone-treated human LO2 cells assessed as reduction in CYP7A1 protein expression at 80 uM treated with FXR antagonist, guggulsterone for 24 hrs followed by incubation with compound for 24 hrs by western blot analysis2019European journal of medicinal chemistry, Nov-15, Volume: 182Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.
AID490122Cytotoxicity against human GBM cells after 24 hrs by neutral red uptake assay2010European journal of medicinal chemistry, Jul, Volume: 45, Issue:7
Synthesis of bile acid derivatives and in vitro cytotoxic activity with pro-apoptotic process on multiple myeloma (KMS-11), glioblastoma multiforme (GBM), and colonic carcinoma (HCT-116) human cell lines.
AID659713Agonist activity at human farnesoid X receptor expressed in human HepG2 cells at 10 uM after 24 hrs by dual-luciferase assay relative to control2012Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9
Nelumal A, the active principle from Ligularia nelumbifolia, is a novel farnesoid X receptor agonist.
AID662693Agonist activity at human recombinant FXR expressed in HEK293 cells coexpressing CMX-GAL4N by luciferase reporter gene assay relative to GW40642012Bioorganic & medicinal chemistry letters, Jun-15, Volume: 22, Issue:12
E297G mutated bile salt export pump (BSEP) function enhancers derived from GW4064: structural development study and separation from farnesoid X receptor-agonistic activity.
AID1569580Agonist activity at recombinant human TGR5 expressed in CHO cells assessed as increase in cAMP accumulation after 30 mins by TR-FRET assay2019Journal of medicinal chemistry, 07-25, Volume: 62, Issue:14
7-Methylation of Chenodeoxycholic Acid Derivatives Yields a Substantial Increase in TGR5 Receptor Potency.
AID592924Induction of FXR-mediated down-regulation of Cyp7A1 mRNA expression in human HepG2 cells at 1 uM by RT-PCR2011Bioorganic & medicinal chemistry, Apr-15, Volume: 19, Issue:8
Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine.
AID1569578Cytotoxicity against CHO cells expressing human TGR5 at 30 to 100 uM2019Journal of medicinal chemistry, 07-25, Volume: 62, Issue:14
7-Methylation of Chenodeoxycholic Acid Derivatives Yields a Substantial Increase in TGR5 Receptor Potency.
AID1063187Cytotoxicity against human HT1080 cells assessed as cell viability after 24 hrs by MTT assay2014Bioorganic & medicinal chemistry, Jan-01, Volume: 22, Issue:1
New highly toxic bile acids derived from deoxycholic acid, chenodeoxycholic acid and lithocholic acid.
AID409881Cytotoxicity against human KMS11 cells at 50 uM after 24 hrs by neutral red uptake assay2008Bioorganic & medicinal chemistry, Sep-15, Volume: 16, Issue:18
New lithocholic and chenodeoxycholic piperazinylcarboxamides with antiproliferative and pro-apoptotic effects on human cancer cell lines.
AID1458345Lipophilicity, logD of compound at pH 7.4 by LC-MS analysis2017Journal of medicinal chemistry, 08-24, Volume: 60, Issue:16
Nonacidic Farnesoid X Receptor Modulators.
AID297452Agonist activity at human FXR expressed in COS1 cells after 5 hrs by CRE-driven luciferase reporter gene assay relative to 6ECDCA2007Journal of medicinal chemistry, Sep-06, Volume: 50, Issue:18
Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5.
AID297451Agonist activity at human FXR expressed in COS1 cells after 5 hrs by CRE-driven luciferase reporter gene assay2007Journal of medicinal chemistry, Sep-06, Volume: 50, Issue:18
Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5.
AID1351283Solubility of the compound in pH 1 HCl solution at 300 uM after 24 hrs by HPLC-ESI-MS analysis2018European journal of medicinal chemistry, Jan-20, Volume: 144Synthesis, physicochemical properties, and biological activity of bile acids 3-glucuronides: Novel insights into bile acid signalling and detoxification.
AID659710Agonist activity at human farnesoid X receptor expressed in human HepG2 cells at 0.1 uM after 24 hrs by dual-luciferase assay relative to control2012Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9
Nelumal A, the active principle from Ligularia nelumbifolia, is a novel farnesoid X receptor agonist.
AID490121Cytotoxicity against human KMS11 cells after 24 hrs by neutral red uptake assay2010European journal of medicinal chemistry, Jul, Volume: 45, Issue:7
Synthesis of bile acid derivatives and in vitro cytotoxic activity with pro-apoptotic process on multiple myeloma (KMS-11), glioblastoma multiforme (GBM), and colonic carcinoma (HCT-116) human cell lines.
AID267784Binding affinity to FXR assessed as ligand-dependent SRC1 recruitment by FRET based co-activator assay2006Journal of medicinal chemistry, Jul-13, Volume: 49, Issue:14
Back door modulation of the farnesoid X receptor: design, synthesis, and biological evaluation of a series of side chain modified chenodeoxycholic acid derivatives.
AID1686032Solubility in water measured for protonated species2016Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19
Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders.
AID1079942Steatosis, proven histopathologically. Value is number of references indexed. [column 'STEAT' in source]
AID1412070Pro-angiogenic activity in HUVEC assessed as stress fiber formation at 12.5 uM after overnight incubation by FITC-conjugated phalloidin staining based confocal microscopic analysis2017MedChemComm, Dec-01, Volume: 8, Issue:12
Deciphering the role of hydrophobic and hydrophilic bile acids in angiogenesis using
AID324926Agonist activity against human FXR expressed in COS1 cells by luciferase assay relative to 6-enantiomeric chenodeoxy cholic acid2008Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6
Novel potent and selective bile acid derivatives as TGR5 agonists: biological screening, structure-activity relationships, and molecular modeling studies.
AID1609606Agonist activity at FXR in guggulsterone-treated human LO2 cells assessed as increase in BSEP protein expression at 80 uM treated with FXR antagonist, guggulsterone for 24 hrs followed by incubation with compound for 24 hrs by western blot analysis2019European journal of medicinal chemistry, Nov-15, Volume: 182Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.
AID587931Agonist activity at FXR expressed in human HepG2 cells assessed as beta-galactosidase activity at 10 uM after 18 hrs by luminometric analysis2011Journal of medicinal chemistry, Mar-10, Volume: 54, Issue:5
Discovery of sulfated sterols from marine invertebrates as a new class of marine natural antagonists of farnesoid-X-receptor.
AID682019TP_TRANSPORTER: inhibition of Taurocholate uptake (Taurocholate: 0.72 uM, CDCA: 72 uM) in Ntcp-expressing COS-7 cells2002Bioscience, biotechnology, and biochemistry, May, Volume: 66, Issue:5
Characterization of cloned mouse Na+/taurocholate cotransporting polypeptide by transient expression in COS-7 cells.
AID1412059Pro-angiogenic activity in Tg(fli:eGFP) zebrafish embryo assessed as arcades formation at 12.5 uM after 72 hrs post fertilization by fluorescence microscopic analysis2017MedChemComm, Dec-01, Volume: 8, Issue:12
Deciphering the role of hydrophobic and hydrophilic bile acids in angiogenesis using
AID588213Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in non-rodents2010Chemical research in toxicology, Jan, Volume: 23, Issue:1
Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID588212Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in rodents2010Chemical research in toxicology, Jan, Volume: 23, Issue:1
Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID1079945Animal toxicity known. [column 'TOXIC' in source]
AID1719697Agonist activity at FXR in human HepG2 cells assessed as increase in BSEP mRNA expression at 30 uM incubated for 8 hrs by qRT-PCR analysis2021ACS medicinal chemistry letters, Feb-11, Volume: 12, Issue:2
A New FXR Ligand Chemotype with Agonist/Antagonist Switch.
AID1686057Drug metabolism in bile of fistula Wistar-Han rat model assessed as maximum biliary secretion of the administered compound including the secreted taurine conjugates at 60 umol/kg, ID by HPLC-ES-MS/MS analysis2016Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19
Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders.
AID629057Agonist activity at FXR in human HepG2 cells assessed as inhibition of CYP7A1 mRNA expression at 50 uM for 6 hrs by RT-PCR relative to control2011Bioorganic & medicinal chemistry, Nov-15, Volume: 19, Issue:22
Pharmacophore-based discovery of FXR-agonists. Part II: identification of bioactive triterpenes from Ganoderma lucidum.
AID681352TP_TRANSPORTER: transepithelial transport (basal to apical) in Ntcp/Bsep double transfected MDCK cell2005American journal of physiology. Gastrointestinal and liver physiology, Jan, Volume: 288, Issue:1
Vectorial transport of bile salts across MDCK cells expressing both rat Na+-taurocholate cotransporting polypeptide and rat bile salt export pump.
AID303508Decrease in CYP7A1 gene expression in human HepG2 cells at 25 uM after 18 hrs by RT-PCR2007Journal of medicinal chemistry, Nov-29, Volume: 50, Issue:24
Synthesis, characterization, and receptor interaction profiles of enantiomeric bile acids.
AID303500Activation of BSEP gene expression in human Huh7 cells at 20 uM after 18 hrs by RT-PCR2007Journal of medicinal chemistry, Nov-29, Volume: 50, Issue:24
Synthesis, characterization, and receptor interaction profiles of enantiomeric bile acids.
AID1686053Drug metabolism in bile of fistula Wistar-Han rat model assessed as maximum bile secretion at 60 umol/kg, ID by HPLC-ES-MS/MS analysis2016Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19
Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders.
AID1277414Antagonist activity against VDR-LBD (unknown origin) expressed in Escherichia coli assessed as inhibition of VDR agonist LG190178-induced SRC2-3 coactivator peptide recruitment after 30 mins by fluorescence polarization assay2016European journal of medicinal chemistry, Feb-15, Volume: 109Synthesis and evaluation of vitamin D receptor-mediated activities of cholesterol and vitamin D metabolites.
AID441584Cholerectic effect in bile fistula rat model assessed as maximum bile acids secretion rate per kg body weight at 1 umol/min/kg administered intraduodenally over 1 hr2009Journal of medicinal chemistry, Dec-24, Volume: 52, Issue:24
Discovery of 6alpha-ethyl-23(S)-methylcholic acid (S-EMCA, INT-777) as a potent and selective agonist for the TGR5 receptor, a novel target for diabesity.
AID409877Cytotoxicity against human GBM cells after 24 hrs by neutral red uptake assay2008Bioorganic & medicinal chemistry, Sep-15, Volume: 16, Issue:18
New lithocholic and chenodeoxycholic piperazinylcarboxamides with antiproliferative and pro-apoptotic effects on human cancer cell lines.
AID324927Selectivity index, ratio of EC50 for human TGR5 to EC50 for human FXR2008Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6
Novel potent and selective bile acid derivatives as TGR5 agonists: biological screening, structure-activity relationships, and molecular modeling studies.
AID1233567Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 bloodstream forms assessed as inhibition of parasite growth at 100 ug/ml by microtiter plate based assay2015European journal of medicinal chemistry, Jul-15, Volume: 100Structure-activity relationship of hybrids of Cinchona alkaloids and bile acids with in vitro antiplasmodial and antitrypanosomal activities.
AID1412073Cytotoxicity against HUVEC assessed as reduction in cell viability at 6.25 to 100 uM after 24 hrs by MTT assay2017MedChemComm, Dec-01, Volume: 8, Issue:12
Deciphering the role of hydrophobic and hydrophilic bile acids in angiogenesis using
AID1852827Anticancer activity against human RKO cells assessed as inhibition of cell proliferation by MTT assay2022RSC medicinal chemistry, Nov-16, Volume: 13, Issue:11
Design and synthesis of bile acid derivatives and their activity against colon cancer.
AID1609585Agonist activity at FXR in guggulsterone-treated human LO2 cells assessed as increase in SHP1 mRNA expression at 80 uM treated with FXR antagonist, guggulsterone for 24 hrs followed by incubation with compound for 24 hrs by RT-qPCR analysis2019European journal of medicinal chemistry, Nov-15, Volume: 182Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.
AID1063189Cytotoxicity against human Caco2 cells assessed as cell viability after 24 hrs by MTT assay2014Bioorganic & medicinal chemistry, Jan-01, Volume: 22, Issue:1
New highly toxic bile acids derived from deoxycholic acid, chenodeoxycholic acid and lithocholic acid.
AID1165586Agonist activity at FXR (unknown origin) expressed in human HepG2 cells assessed as receptor transactivation at 10 uM incubated for 16 hrs by FXR response element driven HSP27-TK-luciferase reporter gene assay2014Journal of medicinal chemistry, Oct-23, Volume: 57, Issue:20
Exploitation of cholane scaffold for the discovery of potent and selective farnesoid X receptor (FXR) and G-protein coupled bile acid receptor 1 (GP-BAR1) ligands.
AID1412069Decrease in MMP9 level in HUVEC at 12.5 uM after 24 hrs by ELISA2017MedChemComm, Dec-01, Volume: 8, Issue:12
Deciphering the role of hydrophobic and hydrophilic bile acids in angiogenesis using
AID645565Agonist activity at FXR in human HepG2 cells at 10 uM after 48 hrs by luciferase reporter gene based transactivation assay2012Journal of medicinal chemistry, Jan-12, Volume: 55, Issue:1
Conicasterol E, a small heterodimer partner sparing farnesoid X receptor modulator endowed with a pregnane X receptor agonistic activity, from the marine sponge Theonella swinhoei.
AID324923Agonist activity at human TGR5 expressed in CHO cells by luciferase assay2008Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6
Novel potent and selective bile acid derivatives as TGR5 agonists: biological screening, structure-activity relationships, and molecular modeling studies.
AID409889Cytotoxicity against human GBM cells at 25 uM after 24 hrs by neutral red uptake assay2008Bioorganic & medicinal chemistry, Sep-15, Volume: 16, Issue:18
New lithocholic and chenodeoxycholic piperazinylcarboxamides with antiproliferative and pro-apoptotic effects on human cancer cell lines.
AID1166182Agonist activity at human FXR expressed in human HeLa cells assessed as receptor activation by BSEP promoter-driven firefly luciferase reporter gene assay relative to 3 uM GW40642014Journal of medicinal chemistry, Oct-09, Volume: 57, Issue:19
Extending the structure-activity relationship of anthranilic acid derivatives as farnesoid X receptor modulators: development of a highly potent partial farnesoid X receptor agonist.
AID1451544Transactivation of FXR in human HepG2 cells assessed as FAS mRNA expression at 50 uM after 8 to 16 hrs by SYBR green based qRT-PCR analysis relative to DMSO control2017Journal of medicinal chemistry, 09-28, Volume: 60, Issue:18
A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis.
AID1609544Agonist activity at FXR in human LO2 cells assessed as increase in BSEP mRNA expression at 80 uM after 24 hrs by RT-qPCR analysis2019European journal of medicinal chemistry, Nov-15, Volume: 182Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.
AID422556Enhancement of bile salt export pump promoter transactivation2009Journal of natural products, Jan, Volume: 72, Issue:1
Effect of guggulsterone and cembranoids of Commiphora mukul on pancreatic phospholipase A(2): role in hypocholesterolemia.
AID673746Agonist activity at GST-tagged FXR-LBD using biotinylated-SRC-1 peptide as substrate preincubated with compound for 30 mins measured after 4 hrs2012ACS medicinal chemistry letters, Apr-12, Volume: 3, Issue:4
Avicholic Acid: A Lead Compound from Birds on the Route to Potent TGR5 Modulators.
AID1811597Inhibition of Taurocholate-induced spore germination in Clostridioides difficile UK1 at 100 mM by spectrophotometric method2021Bioorganic & medicinal chemistry, 12-15, Volume: 52Studies on the Importance of the 7α-, and 12α- hydroxyl groups of N-Aryl-3α,7α,12α-trihydroxy-5β-cholan-24-amides on their Antigermination Activity Against a Hypervirulent Strain of Clostridioides (Clostridium) difficile.
AID1474167Liver toxicity in human assessed as induction of drug-induced liver injury by measuring verified drug-induced liver injury concern status2016Drug discovery today, Apr, Volume: 21, Issue:4
DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.
AID629055Agonist activity at FXR2011Bioorganic & medicinal chemistry, Nov-15, Volume: 19, Issue:22
Pharmacophore-based discovery of FXR-agonists. Part II: identification of bioactive triterpenes from Ganoderma lucidum.
AID1351282Solubility of the compound in pH 7.4 PBS buffer at 300 uM after 24 hrs by HPLC-ESI-MS analysis2018European journal of medicinal chemistry, Jan-20, Volume: 144Synthesis, physicochemical properties, and biological activity of bile acids 3-glucuronides: Novel insights into bile acid signalling and detoxification.
AID659711Agonist activity at human farnesoid X receptor expressed in human HepG2 cells at 1 uM after 24 hrs by dual-luciferase assay relative to control2012Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9
Nelumal A, the active principle from Ligularia nelumbifolia, is a novel farnesoid X receptor agonist.
AID72527Relative recruitment of SRC1 peptide to Farnesoid X receptor (FXR) where CDCA=100%2002Journal of medicinal chemistry, Aug-15, Volume: 45, Issue:17
6alpha-ethyl-chenodeoxycholic acid (6-ECDCA), a potent and selective FXR agonist endowed with anticholestatic activity.
AID441582Cholerectic effect in bile fistula rat model assessed as maximum bile acids secretion rate per kg body weight at 1 umol/min/kg, iv over 1 hr2009Journal of medicinal chemistry, Dec-24, Volume: 52, Issue:24
Discovery of 6alpha-ethyl-23(S)-methylcholic acid (S-EMCA, INT-777) as a potent and selective agonist for the TGR5 receptor, a novel target for diabesity.
AID422544Reduction in human pancreatic recombinant 1B PLA2 activity expressed in Escherichia coli assessed as hydrolysis of 1,2-dimyristoyl-sn-3-glycerophosphocholine vesicles at 0.007 mol fraction relative to cholate2009Journal of natural products, Jan, Volume: 72, Issue:1
Effect of guggulsterone and cembranoids of Commiphora mukul on pancreatic phospholipase A(2): role in hypocholesterolemia.
AID1412043Cytotoxicity against HUVEC assessed as reduction in cell death up to 12.5 uM after 24 hrs by MTT assay2017MedChemComm, Dec-01, Volume: 8, Issue:12
Deciphering the role of hydrophobic and hydrophilic bile acids in angiogenesis using
AID1451537Transactivation of FXR in human HepG2 cells assessed as PPARalpha mRNA expression at 50 uM after 8 to 16 hrs by SYBR green based qRT-PCR analysis relative to DMSO control2017Journal of medicinal chemistry, 09-28, Volume: 60, Issue:18
A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis.
AID1351285Octanol-HCl distribution coefficient, log P of the compound at pH 1 at 1 uM after 24 hrs by shake flask method2018European journal of medicinal chemistry, Jan-20, Volume: 144Synthesis, physicochemical properties, and biological activity of bile acids 3-glucuronides: Novel insights into bile acid signalling and detoxification.
AID409884Cytotoxicity against human KMS11 cells at 50 uM after 48 hrs by neutral red uptake assay2008Bioorganic & medicinal chemistry, Sep-15, Volume: 16, Issue:18
New lithocholic and chenodeoxycholic piperazinylcarboxamides with antiproliferative and pro-apoptotic effects on human cancer cell lines.
AID1277413Agonist activity at VDR-LBD (unknown origin) expressed in Escherichia coli assessed as SRC2-3 coactivator peptide recruitment after 30 mins by fluorescence polarization assay2016European journal of medicinal chemistry, Feb-15, Volume: 109Synthesis and evaluation of vitamin D receptor-mediated activities of cholesterol and vitamin D metabolites.
AID1719696Agonist activity at FXR in human HepG2 cells assessed as increase in SHP mRNA expression at 30 uM incubated for 8 hrs by qRT-PCR analysis2021ACS medicinal chemistry letters, Feb-11, Volume: 12, Issue:2
A New FXR Ligand Chemotype with Agonist/Antagonist Switch.
AID409879Cytotoxicity against human KMS11 cells after 24 hrs by neutral red uptake assay2008Bioorganic & medicinal chemistry, Sep-15, Volume: 16, Issue:18
New lithocholic and chenodeoxycholic piperazinylcarboxamides with antiproliferative and pro-apoptotic effects on human cancer cell lines.
AID441577Critical micellar concentration in 0.15 M NaCl water solution2009Journal of medicinal chemistry, Dec-24, Volume: 52, Issue:24
Discovery of 6alpha-ethyl-23(S)-methylcholic acid (S-EMCA, INT-777) as a potent and selective agonist for the TGR5 receptor, a novel target for diabesity.
AID1232939Agonist activity at human full length FXR expressed in HeLa cells cotransfected with pSG5-human RXR after 24 hrs by Dual-Glo luciferase reporter gene assay relative to 3 uM GW40642015Bioorganic & medicinal chemistry, Jul-01, Volume: 23, Issue:13
Fragmentation of GW4064 led to a highly potent partial farnesoid X receptor agonist with improved drug-like properties.
AID515400Cytotoxicity against human HET-1A cells assessed as cell viability at 500 uM after 24 hrs by MTT assay relative to control2010Bioorganic & medicinal chemistry, Sep-15, Volume: 18, Issue:18
Bile acid toxicity structure-activity relationships: correlations between cell viability and lipophilicity in a panel of new and known bile acids using an oesophageal cell line (HET-1A).
AID1609610Agonist activity at FXR in guggulsterone-treated human LO2 cells assessed as reduction in CYP8B1 protein expression at 80 uM treated with FXR antagonist, guggulsterone for 24 hrs followed by incubation with compound for 24 hrs by western blot analysis2019European journal of medicinal chemistry, Nov-15, Volume: 182Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.
AID1412076Pro-angiogenic activity in Tg(fli:eGFP) zebrafish embryo at 6.25 uM after 72 hrs post fertilization by fluorescence microscopic analysis2017MedChemComm, Dec-01, Volume: 8, Issue:12
Deciphering the role of hydrophobic and hydrophilic bile acids in angiogenesis using
AID1686018Agonist activity at TGR5 in human NCI-H716 cells assessed as stimulation of intracellular cAMP accumulation incubated for 60 mins by HTR-FRET assay relative to 10 uM LCA2016Journal of medicinal chemistry, Oct-13, Volume: 59, Issue:19
Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders.
AID977602Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM2013Molecular pharmacology, Jun, Volume: 83, Issue:6
Structure-based identification of OATP1B1/3 inhibitors.
AID1187920Agonist activity at GAL4 DNA binding domain tagged FXR ligand binding domain (unknown origin) expressed in human HepG2 cells co-expressing rat CYP7A1 gene promoter assessed as transrepression of CYP7A1 promoter driven luciferase activity at 10 uM2014Bioorganic & medicinal chemistry letters, Sep-01, Volume: 24, Issue:17
Cryptochinones from Cryptocarya chinensis act as farnesoid X receptor agonists.
AID635573Agonist activity at mouse FXR expressed in HEK293 cells co-expressing mouse RXRalpha and ECRE-luc by luciferase reporter gene assay2011Bioorganic & medicinal chemistry, Dec-01, Volume: 19, Issue:23
Pharmacophore-based discovery of FXR agonists. Part I: Model development and experimental validation.
AID324924Agonist activity at human TGR5 expressed in CHO cells by luciferase assay relative to lithocholic acid2008Journal of medicinal chemistry, Mar-27, Volume: 51, Issue:6
Novel potent and selective bile acid derivatives as TGR5 agonists: biological screening, structure-activity relationships, and molecular modeling studies.
AID662692Agonist activity at human recombinant FXR expressed in HEK293 cells coexpressing CMX-GAL4N by luciferase reporter gene assay2012Bioorganic & medicinal chemistry letters, Jun-15, Volume: 22, Issue:12
E297G mutated bile salt export pump (BSEP) function enhancers derived from GW4064: structural development study and separation from farnesoid X receptor-agonistic activity.
AID441579Metabolic stability in bile fistula rat model assessed as intact drug level recovered in bile at 1 umol/min/kg administered intraduodenally over 1 hr2009Journal of medicinal chemistry, Dec-24, Volume: 52, Issue:24
Discovery of 6alpha-ethyl-23(S)-methylcholic acid (S-EMCA, INT-777) as a potent and selective agonist for the TGR5 receptor, a novel target for diabesity.
AID490123Cytotoxicity against human HCT116 cells after 24 hrs by neutral red uptake assay2010European journal of medicinal chemistry, Jul, Volume: 45, Issue:7
Synthesis of bile acid derivatives and in vitro cytotoxic activity with pro-apoptotic process on multiple myeloma (KMS-11), glioblastoma multiforme (GBM), and colonic carcinoma (HCT-116) human cell lines.
AID1847972Invivo antagonist activity against FXR in mouse assessed as reduction in Fgf15 level at 50 uM2022Journal of medicinal chemistry, 10-13, Volume: 65, Issue:19
Discovery of Betulinic Acid Derivatives as Potent Intestinal Farnesoid X Receptor Antagonists to Ameliorate Nonalcoholic Steatohepatitis.
AID679670TP_TRANSPORTER: Northern blot from HepG2 cells2002The Journal of biological chemistry, Jan-25, Volume: 277, Issue:4
Regulation of multidrug resistance-associated protein 2 (ABCC2) by the nuclear receptors pregnane X receptor, farnesoid X-activated receptor, and constitutive androstane receptor.
AID1609586Agonist activity at FXR in guggulsterone-treated human LO2 cells assessed as increase in BSEP mRNA expression at 80 uM treated with FXR antagonist, guggulsterone for 24 hrs followed by incubation with compound for 24 hrs by RT-qPCR analysis2019European journal of medicinal chemistry, Nov-15, Volume: 182Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.
AID1234672Antiparasitic activity against Trypanosoma cruzi strain CL Brener epimastigotes at 300 uM after 12 days by ELISA reader2015Bioorganic & medicinal chemistry, Aug-01, Volume: 23, Issue:15
Enzymatic synthesis of bile acid derivatives and biological evaluation against Trypanosoma cruzi.
AID1138171Agonist activity at FXR in human HepG2 cells assessed as upregulation of OST-alpha mRNA expression at 10 uM after 18 hrs by RT-PCR analysis2014Journal of medicinal chemistry, Feb-13, Volume: 57, Issue:3
Design, synthesis, and biological evaluation of potent dual agonists of nuclear and membrane bile acid receptors.
AID659714Agonist activity at human farnesoid X receptor expressed in human HepG2 cells at 25 uM after 24 hrs by dual-luciferase assay relative to control2012Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9
Nelumal A, the active principle from Ligularia nelumbifolia, is a novel farnesoid X receptor agonist.
AID1443995Hepatotoxicity in human assessed as drug-induced liver injury2014Hepatology (Baltimore, Md.), Sep, Volume: 60, Issue:3
Human drug-induced liver injury severity is highly associated with dual inhibition of liver mitochondrial function and bile salt export pump.
AID422553Binding affinity to pig PLA2 at 100 uM by saturation transfer difference NMR spectroscopy2009Journal of natural products, Jan, Volume: 72, Issue:1
Effect of guggulsterone and cembranoids of Commiphora mukul on pancreatic phospholipase A(2): role in hypocholesterolemia.
AID657097Restoration of human BSEP E297G mutant trafficking to cell membrane in MDCK2 cells co-expressing NTCP assessed as accumulation of [3H]taurocholate at 10 uM preincubated for 24 hrs prior incubation with [3H]taurocholate measured after 2 hrs by liquid scint2012Bioorganic & medicinal chemistry, May-01, Volume: 20, Issue:9
Discovery and structural development of small molecules that enhance transport activity of bile salt export pump mutant associated with progressive familial intrahepatic cholestasis type 2.
AID659716Agonist activity at human farnesoid X receptor expressed in human HepG2 cells at 100 uM after 24 hrs by dual-luciferase assay relative to control2012Bioorganic & medicinal chemistry letters, May-01, Volume: 22, Issue:9
Nelumal A, the active principle from Ligularia nelumbifolia, is a novel farnesoid X receptor agonist.
AID660287Inhibition of osteoclastogenesis in human osteoclasts obtained from PBMC assessed as formation of TRAPC positive multinucleated cells at 10'-5 M after 7 days2012European journal of medicinal chemistry, Jun, Volume: 52Synthesis, characterization and biological activity of hydroxyl-bisphosphonic analogs of bile acids.
AID682147TP_TRANSPORTER: inhibition of Taurocholate uptake (Taurocholate: 5 uM, CDCA: 100 uM) in Ntcp-expressing COS-7 cells1994The American journal of physiology, Mar, Volume: 266, Issue:3 Pt 1
Expression and characterization of a functional rat liver Na+ bile acid cotransport system in COS-7 cells.
AID1609584Increase in FXR mRNA expression in guggulsterone-treated human LO2 cells at 80 uM treated with FXR antagonist, guggulsterone for 24 hrs followed by incubation with compound for 24 hrs by RT-qPCR analysis2019European journal of medicinal chemistry, Nov-15, Volume: 182Highly potent non-steroidal FXR agonists protostane-type triterpenoids: Structure-activity relationship and mechanism.
AID679712TP_TRANSPORTER: inhibition of Taurocholate uptake (Taurocholate: 0.72 uM, CDCA: a 100-fold excess) in isolated mouse ileocytes1999Journal of biochemistry, Apr, Volume: 125, Issue:4
Characterization, cDNA cloning, and functional expression of mouse ileal sodium-dependent bile acid transporter.
AID243397Efficacy for human Farnesoid X receptor in FRET assay2004Journal of medicinal chemistry, Aug-26, Volume: 47, Issue:18
Bile acid derivatives as ligands of the farnesoid X receptor. Synthesis, evaluation, and structure-activity relationship of a series of body and side chain modified analogues of chenodeoxycholic acid.
AID1233553Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 bloodstream forms by microtiter plate based assay2015European journal of medicinal chemistry, Jul-15, Volume: 100Structure-activity relationship of hybrids of Cinchona alkaloids and bile acids with in vitro antiplasmodial and antitrypanosomal activities.
AID540299A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis2010Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID1799080HTRF Coactivator Recruitment Assay from Article 10.1073/pnas.0710981105: \\Identification of a potent synthetic FXR agonist with an unexpected mode of binding and activation.\\2008Proceedings of the National Academy of Sciences of the United States of America, Apr-08, Volume: 105, Issue:14
Identification of a potent synthetic FXR agonist with an unexpected mode of binding and activation.
AID1798108TGR5 Activity Assay from Article 10.1021/jm070633p: \\Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5.\\2007Journal of medicinal chemistry, Sep-06, Volume: 50, Issue:18
Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5.
AID1798109FXR Activity Assay from Article 10.1021/jm070633p: \\Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5.\\2007Journal of medicinal chemistry, Sep-06, Volume: 50, Issue:18
Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5.
AID1798115Cotransfection Assay from Article 10.1016/j.bmc.2007.01.046: \\Design, synthesis, and evaluation of non-steroidal farnesoid X receptor (FXR) antagonist.\\2007Bioorganic & medicinal chemistry, Apr-01, Volume: 15, Issue:7
Design, synthesis, and evaluation of non-steroidal farnesoid X receptor (FXR) antagonist.
AID1159607Screen for inhibitors of RMI FANCM (MM2) intereaction2016Journal of biomolecular screening, Jul, Volume: 21, Issue:6
A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
AID1159550Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening2015Nature cell biology, Nov, Volume: 17, Issue:11
6-Phosphogluconate dehydrogenase links oxidative PPP, lipogenesis and tumour growth by inhibiting LKB1-AMPK signalling.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (3,200)

TimeframeStudies, This Drug (%)All Drugs %
pre-19901604 (50.13)18.7374
1990's460 (14.38)18.2507
2000's345 (10.78)29.6817
2010's582 (18.19)24.3611
2020's209 (6.53)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 (%)
Trials227 (6.79%)5.53%
Reviews304 (9.09%)6.00%
Case Studies151 (4.52%)4.05%
Observational7 (0.21%)0.25%
Other2,654 (79.39%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Clinical Trials (34)

Trial Overview

TrialPhaseEnrollmentStudy TypeStart DateStatus
Study of the Effects of Obeticholic Acid on Farnesoid X Receptor Expression in Jejunum and on Gut Microbiota in Morbidly Obese Patients and Healthy Volunteers[NCT02532335]Phase 140 participants (Anticipated)Interventional2015-08-31Recruiting
Effect of Obeticholic Acid (INT-747, Intercept) on the Hepatobiliary Transport of Bile Acids in Patients With PBC Examined by 11C-cholyl-sarcosine PET/CT[NCT03253276]Early Phase 18 participants (Actual)Interventional2016-05-19Completed
A Phase 3 Study to Evaluate the Effects of Chenodeoxycholic Acid in Adult and Pediatric Patients With Cerebrotendinous Xanthomatosis[NCT04270682]Phase 318 participants (Actual)Interventional2020-01-31Completed
Obeticholic Acid Treatment in Patients With Bile Acid Diarrhoea: an Open-label, Pilot Study of Mechanisms, Safety and Symptom Response.[NCT01585025]Phase 235 participants (Actual)Interventional2012-04-30Completed
Therapeutic Metabolic Intervention in Patients With Spastic Paraplegia SPG5[NCT02314208]Phase 212 participants (Actual)Interventional2015-01-31Completed
Changes in Bile Acid Homeostasis and Stool Habits After Cholecystectomy[NCT03168555]Phase 423 participants (Actual)Interventional2017-06-22Completed
A Phase 2a, Double-Blind, Randomized, Active Controlled, Parallel Group Study Evaluating the Efficacy, Safety, and Tolerability of Bezafibrate Administered in Combination With Obeticholic Acid in Subjects With Primary Biliary Cholangitis[NCT05239468]Phase 260 participants (Anticipated)Interventional2022-03-21Active, not recruiting
Retrospective Cohort Study to Investigate the Safety and Efficacy of Chenodeoxycholic Acid (CDCA) in Patients Affected by Cerebrotendinous Xanthomatosis (CTX)[NCT05499026]28 participants (Actual)Observational2014-12-09Completed
Phase 2 Study of Obeticholic Acid for Lipodystrophy Patients[NCT02430077]Phase 210 participants (Actual)Interventional2016-06-30Completed
A Multicenter, Open-Label, Single- and Multiple-Dose, Dose-Finding Study, With an Optional Open-Label Extension to Assess the Safety, Tolerability, and Pharmacokinetics of Obeticholic Acid in Pediatric Subjects With Biliary Atresia[NCT05321524]Phase 27 participants (Actual)Interventional2015-07-01Terminated(stopped due to After extensive efforts to improve recruitment, it is deemed not feasible to enroll the requisite number of subjects to generate data needed to meet the study objectives. EMA Paediatric Committee agreed with the Sponsor to terminate this study.)
Randomized, Two-way, Two-period, Single Oral Dose, Open-label, Crossover, Bioequivalence Study to Compare Chenodeoxycholic Acid Capsules (250mg Chenodeoxycholic Acid) [Dose: 1 x 02 Capsules] Versus Chenodeoxycholic Acid Leadiant 250 mg Hard Capsules (250m[NCT06180057]Phase 124 participants (Actual)Interventional2022-06-12Completed
A Phase 3, Double-Blind, Randomized, Placebo-Controlled, Multicenter Study to Evaluate the Efficacy and Safety of Obeticholic Acid in Subjects With Compensated Cirrhosis Due to Nonalcoholic Steatohepatitis[NCT03439254]Phase 3919 participants (Actual)Interventional2017-08-30Completed
An Open-Label, Single-Dose Trial to Assess the Effects of Hepatic Impairment on the Pharmacokinetics of Obeticholic Acid (OCA)[NCT01904539]Phase 132 participants (Actual)Interventional2013-06-30Completed
An Open Label Trial to Assess the Effects of Food on the Pharmacokinetic Parameters of Obeticholic Acid (OCA)[NCT01914562]Phase 132 participants (Actual)Interventional2013-08-31Completed
An Open Label, Randomized, Single Dose and Multiple Dose Trial to Assess the Pharmacokinetics of Obeticholic Acid (OCA)[NCT01933503]Phase 124 participants (Actual)Interventional2013-10-31Completed
The Farnesoid X Receptor (FXR) Ligand Obeticholic Acid in Nonalcoholic Steatohepatitis (NASH) Treatment (FLINT) Trial[NCT01265498]Phase 2283 participants (Actual)Interventional2011-03-31Completed
A Study of INT-747 (6-ECDCA) Monotherapy in Patients With Primary Biliary Cirrhosis[NCT00570765]Phase 260 participants (Actual)Interventional2008-01-17Completed
Effects of Chenodeoxycholic Acid and Colesevelam on GLP-1 Secretion, During a Meal, After Roux-en-Y Gastric Bypass[NCT02876484]Phase 412 participants (Actual)Interventional2016-06-30Completed
A Phase 3, Double-Blind, Placebo-Controlled Trial and Long-Term Safety Extension of Obeticholic Acid in Patients With Primary Biliary Cirrhosis[NCT01473524]Phase 3217 participants (Actual)Interventional2012-01-31Completed
Effect of Bile Acids and Bile Acid Sequstrants on GLP-1 Secretion After Roux-en-Y Gastric Bypass[NCT02952963]Phase 48 participants (Actual)Interventional2016-10-31Completed
Effects of Activation of the Farnesoid X Receptor (FXR) on Hepatic Lipid and Glucose Metabolism in Patients With the Metabolic Syndrome and Familial Forms of Hypertriglyceridemia[NCT00465751]Early Phase 130 participants (Actual)Interventional2004-10-31Completed
Biologic Significance of Cholestanol in Man[NCT00018694]0 participants (Actual)Interventional1999-10-31Withdrawn
Effect of Chenodeoxycholic Acid on Gastrointestinal Transit and Colonic Functions in Health and Constipation-predominant Irritable Bowel Syndrome (IBS-C)[NCT00912301]Phase 236 participants (Actual)Interventional2009-04-30Completed
Effects of Obeticholic Acid on Hepatic Fatty Acid/Triglyceride Metabolism and Hepatobiliary Detoxification/Elimination in Morbidly Obese and Gallstone Patients[NCT01625026]Phase 240 participants (Actual)Interventional2013-09-30Completed
Effect of Bile Acids in the Gut on GLP-1 Secretion in Healthy Subjects and Patients With Type 2 Diabetes[NCT01666223]20 participants (Actual)Interventional2012-11-30Completed
Study Evaluating the Effectiveness of Obeticholic Acid on Hepatic Real-World Outcomes in Patients With Primary Biliary Cholangitis[NCT05293938]0 participants (Actual)Observational2022-03-28Withdrawn(stopped due to A fundamental protocol deviation on data capture left the database no longer fit for purpose.)
Effects of Diet and Medication in Patients With Cerebrotendinous Xanthomatosis (CTX)[NCT00004346]Phase 25 participants Interventional1996-01-31Recruiting
[NCT00004442]25 participants (Anticipated)InterventionalTerminated
A Phase 2 Clinical Trial Investigating the Effects of Obeticholic Acid on Lipoprotein Metabolism in Subjects With Primary Biliary Cirrhosis[NCT01865812]Phase 227 participants (Actual)Interventional2013-12-03Completed
Effects of Ursodeoxycholic Acid and Chenodeoxycholic Acid on GLP-1 Secretion After Roux-en-Y Gastric Bypass[NCT02340247]Phase 411 participants (Actual)Interventional2014-11-30Completed
Effect of Intraduodenal Perfusion of Bile Acids on the Secretion of Gastrointestinal Satiation Peptides in Healthy Male Volunteers[NCT01674946]Phase 112 participants (Actual)Interventional2011-09-30Completed
Validation of Stimulated ∆FGF19 for Diagnosing Bile Acid Diarrhoea[NCT03059537]Phase 471 participants (Actual)Interventional2017-03-13Completed
Replicate Studies Evaluating the Effectiveness of Obeticholic Acid on Hepatic Real-World Outcomes in Patients With Primary Biliary Cholangitis[NCT05292872]4,937 participants (Actual)Observational2022-03-28Completed
Impact of Metformin and Polysorbate 80 on Drug Absorption and Disposition[NCT04640571]Phase 418 participants (Actual)Interventional2021-04-01Completed
[information is prepared from clinicaltrials.gov, extracted Sep-2024]

Trial Outcomes

Change in Stool Index

"Change in index calculated on a weekly basis, between week 2 (baseline) and week 4 (week 2 of treatment).~Index calculated as ([weekly stool frequency x mean Bristol Stool Form Scale score] = Loperamide use [weekly mg x 3]).~Individual scores ranged from 25 to 1095, with higher scores being worst." (NCT01585025)
Timeframe: Week 2, Week 4

Interventionindex score (Median)
Primary BAD-37.5
Secondary BAD-32.5
Idiopathic Diarrhoea Controls-5.5

Changes in Fasting 7α-hydroxy-4-cholesten-3-one

Change in fasting 7α-hydroxy-4-cholesten-3-one before and after 15 day administration of OCA. (NCT01585025)
Timeframe: Day 0, Day 15

Interventionmicrogram/L (Median)
Primary BAD-11.5
Secondary BAD-27.5
Idiopathic Diarrhoea Controls-6.5

Changes in Fasting FGF19

The primary outcome measure is the change over 2 weeks in fasting serum fibroblast growth factor (FGF19) in 3 groups of patients: primary bile acid diarrhoea, secondary bile acid diarrhoea, and a control population of patients with chronic diarrhoea but with normal bile acid retention. (NCT01585025)
Timeframe: Day 0, Day 15

Interventionpercentage increase of baseline (Median)
Primary BAD71
Secondary BAD25
Idiopathic Diarrhoea Controls130

Changes in Mean Stool Form

Change in mean stool form reported per week between week 2 (baseline) and week 4 (week 2 of treatment) using the Bristol Stool Form Scale (range of scores 1 to 7). High scores are a worse outcome (7=liquid stools). (NCT01585025)
Timeframe: Week 2, Week 4

InterventionScore on Bristol scale (Median)
Primary BAD-0.71
Secondary BAD-0.38
Idiopathic Diarrhoea Controls-0.46

Changes in Non-fasting Response of FGF19 to OCA

Change in dynamic response of FGF19 in 6 hours following OCA administration; at start and end of 15 day OCA test period. (NCT01585025)
Timeframe: Day 0, Day 15

Interventionpercentage change (Median)
Primary BAD11.6
Secondary BAD14.6
Idiopathic Diarrhoea Controls32.4

Changes in Serum Total Bile Acids.

Dynamic changes of total bile acids over 6 hour period following OCA administration before and after 15 day OCA period. (NCT01585025)
Timeframe: Day 0, Day 15

Interventionmicromol/L (Median)
Primary BAD-18.1
Secondary BAD-2.0
Idiopathic Diarrhoea Controls-15.5

Changes in Stool Frequency

Change in total number of stool episodes reported per week between week 2 (baseline) and week 4 (week 2 of treatment) (NCT01585025)
Timeframe: Week 2, Week 4

Interventionstools per week (Median)
Primary BAD-4.5
Secondary BAD-2.5
Idiopathic Diarrhoea Controls3.0

Change in C4 Total Area Under the Curve From Baseline Before Versus After Cholecystectomy

Change in total AUC for C4 between visit 1 and visit 2 (NCT03168555)
Timeframe: before cholecystectomy and 3-5 months after cholecystectomy

Interventionng/mL x minutes (Mean)
Visit 1774
Visit 21040

Change in Chenodeoxycholic Acid (CDCA) Absorption to Plasma From Baseline Before Versus After Cholecystectomy

Change from baseline to after cholecystectomy in median unconjugated CDCA plus meal stimulated absorption of unconjugated CDCA to measured in plasma (total area under the CDCA curve with measurement at fasting ie. t=0 minutes and subsequently at 60, 90, 120, and finally at 150minutes. (NCT03168555)
Timeframe: baseline and 3 - 5 months after cholecystectomy

InterventionµM * minutes (Median)
Visit 11554
Visit 21847

Change in Fasting 7-alpha-hydroxy-cholestenone (C4) From Baseline Before Versus After Cholecystectomy

Change from baseline to after cholecystectomy in fasting C4 (NCT03168555)
Timeframe: baseline and 3 - 5 months after cholecystectomy

Interventionng/mL (Mean)
Visit 16.0
Visit 27.5

Change in Fasting FGF19 From Baseline Before Versus After Cholecystectomy

change in fasting FGF19 before versus after cholecystectomy (NCT03168555)
Timeframe: before and 3-5 months after cholecystectomy

Interventionpg per mL (Mean)
Visit 1102
Visit 292

Change in Lipid Status From Baseline Before Versus After Cholecystectomy

Change from baseline to after cholecystectomy in plasma triglycerides (NCT03168555)
Timeframe: baseline and 3 - 5 months after cholecystectomy

Interventionmmol/L (Median)
Visit 11.4
Visit 21.5

Change in Patient Reported Diarrhea Symptoms Correlated With Change in C4 From Baseline Before Versus After Cholecystectomy

Correlation between patient reported frequency of diarrhea (gastrointestinal quality of life index item 31) and fasting C4 before versus after cholecystectomy (NCT03168555)
Timeframe: baseline and 3 - 5 months after cholecystectomy

InterventionSpearman correlation coefficient (Number)
Visit 1-.23
Visit 2-0.52

Change in Patient Reported Diarrhea Symptoms Correlated With Change in FGF19 From Baseline Before Versus After Cholecystectomy

Correlation between patient reported frequency of diarrhea (gastrointestinal quality of life index item 31) and fasting FGF19 before versus after cholecystectomy (NCT03168555)
Timeframe: baseline and 3 - 5 months after cholecystectomy

InterventionSpearman correlation coefficient (Number)
Visit 10.08
Visit 2-0.07

Change in Stimulated Fibroblast Growth Factor 19 (FGF19) From Baseline Before Versus Post Cholecystectomy

Change from baseline to after cholecystectomy in median chenodeoxycholic acid (CDCA) plus meal stimulated FGF19 (delta 0 min to 150 min after stimulation) (NCT03168555)
Timeframe: baseline and 3 - 5 months after cholecystectomy

Interventionpg per mL (Median)
Visit 181
Visit 2186

Change in Stool Consistency (Bristol Stool Type) From Baseline Before Versus After Cholecystectomy

Change from baseline to after cholecystectomy in mean Bristol type per stool as of a seven-day diary baseline versus after cholecystectomy. The Bristol scale divides stool into seven categories from 1 (hard lumps) to 7 (completely watery stool). The diary shows pictograms with short text descriptions. (NCT03168555)
Timeframe: baseline and 3 - 5 months after cholecystectomy

InterventionBristol stool type (Median)
Visit 14.2
Visit 24.0

Change in Stool Frequency From Baseline Before Versus After Cholecystectomy

Change from baseline to after cholecystectomy in number of stools as a mean of a seven-day diary baseline versus after cholecystectomy. That is the diary results for each study participant is tallied using mean values. The tallying of these diary results is done using medians. Therefore the unit used is 'mean stools per day' and this is reported with medians (NCT03168555)
Timeframe: baseline and 3 - 5 months after cholecystectomy

Interventionmean stools per day (Median)
Visit 11.6
Visit 21.6

Change in Stool Pattern Correlated to FGF19

Spearman correlation between change from baseline to after cholecystectomy in FGF19 and in mean number of stools (NCT03168555)
Timeframe: baseline and 3 - 5 months after cholecystectomy

InterventionSpearman correlation coefficient (Number)
Intervention-0.21

Change in Serum Levels of Alanine Aminotransferase

Change in serum levels of Alanine Aminotransferase from baseline to month 4 is assessed (NCT02430077)
Timeframe: Baseline, Month 4

InterventionU/L (Median)
Baseline (Month 0)16.3
Obeticholic Acid (Month 4)15.8
Placebo (Month 0)19.0
Placebo (Month 4)18.5

Change in Serum Levels of Aspartate Aminotransferases

Change in serum levels of Aspartate Aminotransferases from baseline to month 4 is assessed (NCT02430077)
Timeframe: Baseline, Month4

InterventionU/L (Median)
Baseline (Month 0)15.5
Obeticholic Acid (Month 4)16.8
Placebo (Month 0)18.7
Placebo (Month 4)16.5

Change in Serum Levels of Gamma-Glutamyl Transpeptidase

Change in serum levels of Gamma-Glutamyl Transpeptidase from baseline to month 4 is assessed (NCT02430077)
Timeframe: Baseline, Month 4

InterventionU/L (Median)
Baseline (Month 0)27.5
Obeticholic Acid (Month 4)17
Placebo (Month 0)21.6
Placebo (Month 4)21.2

Change in Serum Triglyceride Levels

Change in the serum levels of Triglycerides from baseline to month 4 is being assessed. (NCT02430077)
Timeframe: Baseline, Month 4

Interventionmg/dL (Median)
Baseline (Month 0)199.2
Obeticholic Acid (Month 4)182.3
Placebo (Month 0)169.3
Placebo (Month 4)161.3

Change in the Liver Triglycerides (TG).

The primary end-point variable was the change in the liver TG content assessed using proton-density fat fraction mapping by Magnetic Resonance Imaging (MRI). (NCT02430077)
Timeframe: Baseline, 4 months

Interventionpercentage of liver triglycerides (Median)
Baseline (Month 0)13.2
Obeticholic Acid (Month 4)6.4
Placebo (Month 0)12.3
Placebo (Month 4)10.6

DB Phase: Change From Baseline to Month 18 in LSM

Non-invasive radiological methods to assess liver stiffness were conducted at selected study sites where the respective devices were available. These assessments were taken by vibration controlled TE method using FibroScan®. Participant was included as a random effect and an unstructured covariance matrix was used assuming convergence could be attained. The principal comparison was at Month 18. Baseline was defined as the last value collected prior to the first administration of the IP. Change from Baseline was calculated by subtracting Baseline value from the post-dose visit value. (NCT03439254)
Timeframe: Baseline and up to Month 18

InterventionKilopascal (kPa) (Median)
DB: Placebo-0.50
DB: OCA 10 Milligrams (mg)-3.10
DB: OCA 10 mg Titrated to OCA 25 mg-2.90

DB Phase: ELF at Baseline

ELF was non-invasive panel of circulating fibrosis markers calculated from serum biomarkers. The markers of fibrosis comprised HA, TIMP1 and PIIINP. Each of these markers was measured by an immunoassay and an ELF score was generated, from which a level of fibrosis severity could be determined. The ELF test was a composite score: < 7.7: no to mild fibrosis; ≥ 7.7 - < 9.8: Moderate fibrosis; ≥ 9.8 - < 11.3: Severe fibrosis; ≥ 11.3: Cirrhosis.; higher ELF scores were associated with worsening liver fibrosis. Baseline was defined as the last value collected prior to the first administration of the IP. (NCT03439254)
Timeframe: Baseline (Day 1)

InterventionScores on a scale (Mean)
DB: Placebo10.50
DB: OCA 10 Milligrams (mg)10.60
DB: OCA 10 mg Titrated to OCA 25 mg10.61

DB Phase: FIB-4 at Baseline

FIB-4 was a noninvasive assessment of liver disease assessed by a combination of age, ALT and platelet results. FIB-4 was the ratio of age in years and aminotransferase to platelet count. It was a non-invasive hepatic fibrosis index score combining standard biochemical values, platelets, ALT, AST and age that was calculated using formula: FIB-4 = (Age [years] x AST [U/L]) / (platelets [10^9/L] x (square root of ALT [U/L])). A FIB-4 index of <1.45 indicated no or moderate fibrosis and an index of > 3.25 indicated extensive fibrosis/cirrhosis. Higher ratio indicated worse condition. Baseline was defined as the last value collected prior to the first administration of the IP. (NCT03439254)
Timeframe: Baseline (Day 1)

InterventionRatio (Mean)
DB: Placebo2.279
DB: OCA 10 Milligrams (mg)2.475
DB: OCA 10 mg Titrated to OCA 25 mg2.405

DB Phase: Number of Participants Who Were Responders and Showed Improvement in Fibrosis by at Least 1 Stage Without Worsening of Nonalcoholic Steatohepatitis (NASH)

Fibrosis stage was evaluated by NASH Clinical Research Network(CRN)Fibrosis Staging System with stages:0=no fibrosis;1=perisinusoidal/periportal;1A=mild,zone 3,perisinusoidal;1B=moderate,zone 3,perisinusoidal;1C=portal/periportal;2=perisinusoidal and portal/periportal;3=bridging fibrosis;4=cirrhosis.No worsening of steatohepatitis was defined as no worsening of lobular inflammation or hepatocellular ballooning grade as per scoring in relevant nonalcoholic fatty liver disease activity score (NAS) categories.NAS is semiquantitative scoring system based on unweighted sum of:steatosis (0=<5% to 3=>66%),lobular inflammation(0=no foci to 3=>4 foci/200x),hepatocellular ballooning(0=none to 2=many cells/prominent ballooning)scores.Total scale range:0-12;0:no features of fatty liver disease and 12:highest degree of fatty liver disease.Higher scores:worse symptoms.Responders:did not discontinue treatment due to Adverse event(AE) or did not die and had evaluable post-Baseline biopsy assessment (NCT03439254)
Timeframe: Up to 18 months

InterventionParticipants (Count of Participants)
DB: Placebo31
DB: OCA 10 Milligrams (mg)33
DB: OCA 10 mg Titrated to OCA 25 mg37

OLE Phase: Change From Baseline to Month 12 in Liver Stiffness Measurement (LSM)

Non-invasive radiological methods to assess liver stiffness were conducted at selected study sites where the respective devices were available. These assessments were taken by vibration controlled transient elastography (TE) method using FibroScan®. Participant was included as a random effect and an unstructured covariance matrix was used assuming convergence could be attained. Baseline was defined as the last value collected prior to the first administration of the investigational product (IP). Change from Baseline was calculated by subtracting Baseline value from the post-dose visit value. (NCT03439254)
Timeframe: Baseline and up to Month 12

InterventionKilopascal (kPa) (Median)
OLE: OCA 10 mg (DB Placebo)-2.10
OLE: OCA 10 mg (DB OCA 10 mg)-2.90
OLE: Titrated to OCA 25 mg (DB OCA 10 mg Titrated to OCA 25 mg)-3.45

OLE Phase: Enhanced Liver Fibrosis (ELF) at Baseline

ELF was non-invasive panel of circulating fibrosis markers calculated from serum biomarkers. The markers of fibrosis comprised hyaluronic acid (HA), tissue inhibitor of metalloproteinase (TIMP1) and procollagen III N-terminal peptide (PIIINP). Each of these markers was measured by an immunoassay and an ELF score was generated, from which a level of fibrosis severity could be determined. The ELF test was a composite score: < 7.7: no to mild fibrosis; ≥ 7.7 - < 9.8: Moderate fibrosis; ≥ 9.8 - < 11.3: Severe fibrosis; ≥ 11.3: Cirrhosis.; higher ELF scores were associated with worsening liver fibrosis. Baseline was defined as the last value collected prior to the first administration of the IP. (NCT03439254)
Timeframe: Baseline (Day 1)

InterventionScores on a scale (Mean)
OLE: OCA 10 mg (DB Placebo)10.46
OLE: OCA 10 mg (DB OCA 10 mg)10.50
OLE: Titrated to OCA 25 mg (DB OCA 10 mg Titrated to OCA 25 mg)10.48

OLE Phase: Fibrosis-4 (FIB-4) at Baseline

FIB-4 was a noninvasive assessment of liver disease assessed by a combination of age, alanine aminotransferase (ALT) and platelet results. FIB-4 was the ratio of age in years and aminotransferase to platelet count. It was a non-invasive hepatic fibrosis index score combining standard biochemical values, platelets, ALT, Aspartate aminotransferase (AST) and age that was calculated using formula: FIB-4 = (Age [years] x AST [Units per Liter {U/L}]) / (platelets [10^9/L] x (square root of ALT [U/L])). A FIB-4 index of <1.45 indicated no or moderate fibrosis and an index of > 3.25 indicated extensive fibrosis/cirrhosis. Higher ratio indicated worse condition. Baseline was defined as the last value collected prior to the first administration of the IP. (NCT03439254)
Timeframe: Baseline (Day 1)

InterventionRatio (Mean)
OLE: OCA 10 mg (DB Placebo)2.179
OLE: OCA 10 mg (DB OCA 10 mg)2.267
OLE: Titrated to OCA 25 mg (DB OCA 10 mg Titrated to OCA 25 mg)2.266

OLE Phase: Number of Participants Reporting All-cause Mortality

All-cause mortality is defined as death due to any cause. Number of participants reporting all-cause mortality is presented (NCT03439254)
Timeframe: Up to Month 12

InterventionParticipants (Count of Participants)
OLE: OCA 10 mg (DB Placebo)1
OLE: OCA 10 mg (DB OCA 10 mg)0
OLE: Titrated to OCA 25 mg (DB OCA 10 mg Titrated to OCA 25 mg)1

OLE Phase: Number of Participants With Adjudicated Liver Related Clinical Outcomes: Model for End-Stage Liver Disease (MELD) Score ≥15

MELD was a scoring system for assessing the severity of chronic liver disease and to assess prognosis and suitability for liver transplantation. It uses the participant's values for total bilirubin, serum creatinine, and the international normalized ratio for prothrombin time to predict survival. MELD score ranges from 6 (less ill) to 40 (gravely ill) with scores and mortality probability being: Score 40=71.3% mortality; Scores 30-39=52.6% mortality; Scores 20-29=19.6% mortality; Scores10-19=6.0% mortality; Score 9 or less=1.9% mortality. Higher scores indicated greater disease severity. Adjudication was performed under the review of HSAC of all available data for each identified participant to determine liver injury status. Number of participants with adjudicated liver related clinical outcomes for MELD score ≥15 is presented. (NCT03439254)
Timeframe: Up to 12 months

InterventionParticipants (Count of Participants)
OLE: OCA 10 mg (DB Placebo)0
OLE: OCA 10 mg (DB OCA 10 mg)0
OLE: Titrated to OCA 25 mg (DB OCA 10 mg Titrated to OCA 25 mg)1

OLE Phase: Number of Participants With Adjudicated Liver Related Clinical Outcomes: Worsening of Child-Pugh Score

The Child-Pugh classification was a scoring system used for the classification of the severity of cirrhosis. It included three continuous variables (bilirubin, albumin, and international normalized ratio) and two discrete variables (ascites and encephalopathy). Each variable was scored 1-3 with 3 indicating most severe derangement. The determination of Child-Pugh score ranged from 5 to 15. The higher the score, the sicker the participant. Adjudication was performed under the review of HSAC of all available data for each identified participant to determine liver injury status. Number of participants with adjudicated liver related clinical outcomes for worsening of Child-Pugh score is presented. (NCT03439254)
Timeframe: Up to 12 months

InterventionParticipants (Count of Participants)
OLE: OCA 10 mg (DB Placebo)0
OLE: OCA 10 mg (DB OCA 10 mg)1
OLE: Titrated to OCA 25 mg (DB OCA 10 mg Titrated to OCA 25 mg)2

OLE Phase: Number of Participants With Adjudicated Liver Related Clinical Outcomes: Ascites, Hepatocellular Carcinoma (HCC) and Non-liver Related Death

Adjudication was performed under the review of Hepatic Safety Adjudication Committee (HSAC) of all available data for each identified participant to determine liver injury status. Number of participants with adjudicated liver related clinical outcomes for the following is presented: Ascites (secondary to cirrhosis and requiring medical intervention), Hepatocellular carcinoma (HCC) and non-liver related death. (NCT03439254)
Timeframe: Up to 12 months

,,
InterventionParticipants (Count of Participants)
Ascites (secondary to cirrhosis and requiring medical intervention)HCCNon-liver related death
OLE: OCA 10 mg (DB OCA 10 mg)010
OLE: OCA 10 mg (DB Placebo)131
OLE: Titrated to OCA 25 mg (DB OCA 10 mg Titrated to OCA 25 mg)211

OLE Phase: Number of Participants With Non-serious Adverse Events (AEs) and Serious Adverse Events (SAEs)

An AE is any untoward medical occurrence in a clinical study participant, temporally associated with the use of a study intervention, whether or not considered related to the study intervention. An SAE is any untoward medical occurrence that, at any dose results in death, is life-threatening, requires inpatient hospitalization or prolongation of existing hospitalization, results in persistent disability/incapacity, is a congenital anomaly/birth defect or any other situation according to medical or scientific judgment. (NCT03439254)
Timeframe: Up to 12 months

,,
InterventionParticipants (Count of Participants)
AEsSAEs
OLE: OCA 10 mg (DB OCA 10 mg)21350
OLE: OCA 10 mg (DB Placebo)19926
OLE: Titrated to OCA 25 mg (DB OCA 10 mg Titrated to OCA 25 mg)19748

Change in Alanine Aminotransferase

(NCT01265498)
Timeframe: baseline to 72 weeks

InterventionU/L (Mean)
Obeticholic Acid-38
Placebo-18

Change in Albumin

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventiongl/L (Mean)
Obeticholic Acid-0.2
Placebo0.3

Change in Alkaline Phosphatase

(NCT01265498)
Timeframe: baseline to 72 weeks

InterventionU/L (Mean)
Obeticholic Acid12
Placebo-6

Change in Asparate Aminotransferase

(NCT01265498)
Timeframe: baseline to 72 weeks

InterventionU/L (Mean)
Obeticholic Acid-27
Placebo-10

Change in Bicarbonate

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventionmmol/L (Mean)
Obeticholic Acid-0.7
Placebo-0.1

Change in Body-mass Index

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventionkg/m² (Mean)
Obeticholic Acid-0.7
Placebo0.1

Change in Calcium

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventionmmol/L (Mean)
Obeticholic Acid0.01
Placebo-0.01

Change in Creatinine

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventionμmol/L (Mean)
Obeticholic Acid1.5
Placebo-1.1

Change in Diastolic Blood Pressure

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventionmm Hg (Mean)
Obeticholic Acid0
Placebo0

Change in Fasting Serum Glucose

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventionmmol/L (Mean)
Obeticholic Acid0.4
Placebo0.2

Change in Glycated Haemoglobin A1c

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventionmmol/mol (Mean)
Obeticholic Acid0.5
Placebo0.4

Change in Haematocrit

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventionproportion of 1.0 (Mean)
Obeticholic Acid0.00
Placebo0.00

Change in Haemoglobin

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventiong/L (Mean)
Obeticholic Acid0.6
Placebo0.3

Change in HDL Cholesterol

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventionmmol/L (Mean)
Obeticholic Acid-0.02
Placebo0.03

Change in HOMA-IR

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventionglucose[mmol/L]× insulin[pmol/L] / 22.5 (Mean)
Obeticholic Acid15
Placebo4

Change in Insulin

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventionpmol/L (Mean)
Obeticholic Acid29
Placebo10

Change in International Normalised Ratio

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventionratio (Mean)
Obeticholic Acid-0.03
Placebo0.00

Change in LDL Cholesterol

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventionmmol/L (Mean)
Obeticholic Acid0.22
Placebo-0.22

Change in Mean Corpuscular Volume

(NCT01265498)
Timeframe: baseline to 72 weeks

InterventionfL (Mean)
Obeticholic Acid-0.8
Placebo0.3

Change in Phosphate

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventionmmol/L (Mean)
Obeticholic Acid0.01
Placebo0.02

Change in Platelet Count

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventionplatelets *10^9 per L (Mean)
Obeticholic Acid12
Placebo-4

Change in Prothrombin Time

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventions (Mean)
Obeticholic Acid-0.1
Placebo0.0

Change in SF-36 Quality of Life Mental Component Summary

Short Form (36) Health Survey The SF-36 evaluates health-related quality of life in 8 domains consisting of two components: physical and mental. The score for each domain ranges from 0 to 100. Norm based scoring (based on the general US population) is used with a mean of 50 and standard deviation of 10. Higher values represent a better outcome. (NCT01265498)
Timeframe: baseline to 72 weeks

Interventionunits on a scale (Mean)
Obeticholic Acid0
Placebo1

Change in SF-36 Quality of Life Physical Component Summary

Short Form (36) Health Survey The SF-36 evaluates health-related quality of life in 8 domains consisting of two components: physical and mental. The score for each domain ranges from 0 to 100. Norm based scoring (based on the general US population) is used with a mean of 50 and standard deviation of 10. Higher values represent a better outcome. (NCT01265498)
Timeframe: baseline to 72 weeks

Interventionunits on a scale (Mean)
Obeticholic Acid0
Placebo-1

Change in Systolic Blood Pressure

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventionmm Hg (Mean)
Obeticholic Acid-4
Placebo-1

Change in Total Bilirubin

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventionμmol/L (Mean)
Obeticholic Acid-1.0
Placebo0.6

Change in Total Cholesterol

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventionmmol/L (Mean)
Obeticholic Acid0.16
Placebo-0.19

Change in Total Protein

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventiongl/L (Mean)
Obeticholic Acid0.2
Placebo-0.5

Change in Triglycerides

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventionmmol/L (Mean)
Obeticholic Acid-0.22
Placebo-0.08

Change in Uric Acid

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventionμmol/L (Mean)
Obeticholic Acid2
Placebo-11

Change in Waist Circumference

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventioncm (Mean)
Obeticholic Acid-1.5
Placebo-0.6

Change in Waist-to-hip Ratio

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventionratio (Mean)
Obeticholic Acid0.00
Placebo0.00

Change in Weight

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventionkg (Mean)
Obeticholic Acid-2.3
Placebo0.0

Change in White Blood Cell Count

(NCT01265498)
Timeframe: baseline to 72 weeks

Interventionwhite blood cells *10^9 per L (Mean)
Obeticholic Acid0.0
Placebo0.0

Change in γ-glutamyl Transpeptidase

(NCT01265498)
Timeframe: baseline to 72 weeks

InterventionU/L (Mean)
Obeticholic Acid-37
Placebo-6

Fibrosis: Change in Score

Change in fibrosis score. Fibrosis was assessed on a scale of 0-4, with higher scores showing more severe fibrosis. (NCT01265498)
Timeframe: baseline to 72 weeks

Interventionunits on a scale (Mean)
Obeticholic Acid-0.2
Placebo0.1

Fibrosis: Patient With Improvement

Patients with improvement in fibrosis score. Fibrosis was assessed on a scale of 0-4, with higher scores showing more severe fibrosis. (NCT01265498)
Timeframe: baseline to 72 weeks

Interventionparticipants (Number)
Obeticholic Acid36
Placebo19

Hepatic Histological Improvement in Nonalcoholic Fatty Liver Disease (NAFLD) Activity Score (NAS)

"Centrally scored histological improvement in nonalcoholic fatty liver disease (NAFLD) from baseline to the end of 72 weeks of treatment, where improvement is defined as:~No worsening in fibrosis; and~A decrease in NAFLD Activity Score (NAS) of at least 2 points" (NCT01265498)
Timeframe: baseline to 72 weeks

Interventionparticipants (Number)
Obeticholic Acid50
Placebo23

Hepatocellular Ballooning: Change in Score

Change in hepatocellular ballooning score. Hepatocellular ballooning was assessed on a scale of 0-2, with higher scores showing more severe ballooning. (NCT01265498)
Timeframe: baseline to 72 weeks

Interventionunits on a scale (Mean)
Obeticholic Acid-0.5
Placebo-0.2

Hepatocellular Ballooning: Patients With Improvement

Patients with improvement in hepatocellular ballooning score. Hepatocellular ballooning was assessed on a scale of 0-2, with higher scores showing more severe ballooning. (NCT01265498)
Timeframe: baseline to 72 weeks

Interventionparticipants (Number)
Obeticholic Acid47
Placebo30

Lobular Inflammation: Change in Score

Change in lobular inflammation score. Lobular inflammation was assessed on a scale of 0-3, with higher scores showing more severe lobular inflammation. (NCT01265498)
Timeframe: baseline to 72 weeks

Interventionunits on a scale (Mean)
Obeticholic Acid-0.5
Placebo-0.2

Lobular Inflammation: Patients With Improvement

Patients with improvement in lobular inflammation score. Lobular inflammation was assessed on a scale of 0-3, with higher scores showing more severe lobular inflammation. (NCT01265498)
Timeframe: baseline to 72 weeks

Interventionparticipants (Number)
Obeticholic Acid54
Placebo34

Portal Inflammation: Change in Score

Change in portal inflammation score. Portal inflammation was assessed on a scale of 0-3, with higher scores showing more severe portal inflammation. (NCT01265498)
Timeframe: baseline to 72 weeks

Interventionunits on a scale (Mean)
Obeticholic Acid0.2
Placebo0.2

Portal Inflammation: Patients With Improvement

Patients with improvement in portal inflammation score. Portal inflammation was assessed on a scale of 0-2, with higher scores showing more severe portal inflammation. (NCT01265498)
Timeframe: baseline to 72 weeks

Interventionparticipants (Number)
Obeticholic Acid12
Placebo13

Resolution of NASH Diagnosis

Resolution of definite nonalcoholic steatohepatitis. Resolution defined as either not NAFLD, or NAFLD but not non-alcoholic steatohepatitis on week 72 biopsy (NCT01265498)
Timeframe: baseline to 72 weeks

Interventionparticipants (Number)
Obeticholic Acid22
Placebo13

Steatosis: Change in Score

Change in steatosis score. Steatosis was assessed on a scale of 0-3, with higher scores showing more severe steatosis. (NCT01265498)
Timeframe: baseline to 72 weeks

Interventionunits on a scale (Mean)
Obeticholic Acid-0.8
Placebo-0.4

Steatosis: Patients With Improvement

Patients with improvement in steatosis score. Steatosis was assessed on a scale of 0-3, with higher scores showing more severe steatosis. (NCT01265498)
Timeframe: baseline to 72 weeks

Interventionparticipants (Number)
Obeticholic Acid62
Placebo37

Total NAFLD Activity Score: Change in Score

NAFLD activity score was assessed on a scale of 0-8, with higher scores showing more severe disease (the components of this measure are steatosis [assessed on a scale of 0-3], lobular inflammation [assessed on a scale of 0-3], and hepatocellular ballooning [assessed on a scale of 0-2]). (NCT01265498)
Timeframe: baseline to 72 weeks

Interventionunits on a scale (Mean)
Obeticholic Acid-1.7
Placebo-0.7

DB Phase: Mean Percent Change In Alanine Transaminase (ALT) From Baseline To Day 85

As a marker of hepatocellular injury and liver function, the percent change in ALT from baseline to Day 85 is reported. (NCT00570765)
Timeframe: Baseline, Day 85

InterventionPercent change (Mean)
DB OCA 10 mg-37
DB OCA 50 mg-35
DB OCA Placebo-4

DB Phase: Mean Percent Change In Conjugated Bilirubin From Baseline To Day 85

As a marker of hepatocellular injury and liver function, the percent change in conjugated bilirubin from baseline to Day 85 is reported. (NCT00570765)
Timeframe: Baseline, Day 85

InterventionPercent Change (Mean)
DB OCA 10 mg0.7
DB OCA 50 mg-1.7
DB OCA Placebo30.3

DB Phase: Mean Percent Change In Gamma-glutamyl Transferase (GGT) From Baseline To Day 85

As a marker of hepatocellular injury and liver function, the percent change in GGT from baseline to Day 85 is reported. (NCT00570765)
Timeframe: Baseline, Day 85

InterventionPercent change (Mean)
DB OCA 10 mg-73
DB OCA 50 mg-65
DB OCA Placebo-3

DB Phase: Mean Percent Change In Serum Alkaline Phosphatase (ALP) From Baseline To Day 85

The percent change in serum ALP from baseline to Day 85 is reported. The baseline value used was the mean of the pretreatment Screening and Day 0 evaluations. (NCT00570765)
Timeframe: Baseline, Day 85

InterventionPercent change (Mean)
DB OCA 10 mg-44.5
DB OCA 50 mg-37.6
DB OCA Placebo0.4

LTSE: Mean Percent Change In ALT From Baseline To Last Available Visit

As a marker of hepatocellular injury and liver function, the percent change in ALT from baseline to the last available visit is reported. The DB baseline value was used as the baseline. (NCT00570765)
Timeframe: Baseline (DB), Last Available Visit (up to 96 months)

InterventionPercent Change (Mean)
LTSE OCA Total-39.6

LTSE: Mean Percent Change In Conjugated Bilirubin From Baseline To Last Available Visit

As a marker of hepatocellular injury and liver function, the percent change in conjugated bilirubin from baseline to the last available visit is reported. The DB baseline value was used as the baseline. (NCT00570765)
Timeframe: Baseline (DB), Last Available Visit (up to 96 months)

InterventionPercent Change (Mean)
LTSE OCA Total57.8

LTSE: Mean Percent Change In GGT From Baseline To Last Available Visit

As a marker of hepatocellular injury and liver function, the percent change in GGT from baseline to the last available visit is reported. The DB baseline value was used as the baseline. (NCT00570765)
Timeframe: Baseline (DB), Last Available Visit (up to 96 months)

InterventionPercent Change (Mean)
LTSE OCA Total-55.6

LTSE: Mean Percent Change In Total Bilirubin From Baseline To Last Available Visit

As a marker of hepatocellular injury and liver function, the percent change in total bilirubin from baseline to the last available visit is reported. The DB baseline value was used as the baseline. (NCT00570765)
Timeframe: Baseline (DB), Last Available Visit (up to 96 months)

InterventionPercent Change (Mean)
LTSE OCA Total2.2

LTSE: Median Percent Change In ALT From Baseline To Last Available Visit

As a marker of hepatocellular injury and liver function, the percent change in ALT from baseline to the last available visit is reported. The DB baseline value was used as the baseline. (NCT00570765)
Timeframe: Baseline (DB), Last Available Visit (up to 96 months)

InterventionPercent Change (Median)
LTSE OCA Total-52.2

LTSE: Median Percent Change In Conjugated Bilirubin From Baseline To Last Available Visit

As a marker of hepatocellular injury and liver function, the percent change in conjugated bilirubin from baseline to the last available visit is reported. The DB baseline value was used as the baseline. (NCT00570765)
Timeframe: Baseline (DB), Last Available Visit (up to 96 months)

InterventionPercent Change (Median)
LTSE OCA Total33.3

LTSE: Median Percent Change In GGT From Baseline To Last Available Visit

As a marker of hepatocellular injury and liver function, the percent change in GGT from baseline to the last available visit is reported. The DB baseline value was used as the baseline. (NCT00570765)
Timeframe: Baseline (DB), Last Available Visit (up to 96 months)

InterventionPercent Change (Median)
LTSE OCA Total-71.1

LTSE: Median Percent Change In Total Bilirubin From Baseline To Last Available Visit

As a marker of hepatocellular injury and liver function, the percent change in total bilirubin from baseline to the last available visit is reported. The DB baseline value was used as the baseline. (NCT00570765)
Timeframe: Baseline (DB), Last Available Visit (up to 96 months)

InterventionPercent Change (Median)
LTSE OCA Total5.2

LTSE Phase: Mean Percent Change In Serum ALP From Baseline To Month 24, Month 48, Month 72, And Last Available Visit

The percent change in serum ALP from baseline to the last available visit is reported. The DB baseline value was used as the baseline. (NCT00570765)
Timeframe: Baseline (DB), Month 24, Month 48, Month 72, Last Available Visit (up to 96 months)

InterventionPercent Change (Mean)
Month 24Month 48Month 72Last Available Visit
LTSE OCA Total-38.8-39.3-31.7-30.4

LTSE Phase: Median Percent Change In Serum ALP From Baseline To Month 24, Month 48, Month 72, And Last Available Visit

The percent change in serum ALP from baseline to the last available visit is reported. The DB baseline value was used as the baseline. (NCT00570765)
Timeframe: Baseline (DB), Month 24, Month 48, Month 72, Last Available Visit (up to 96 months)

InterventionPercent Change (Median)
Month 24Month 48Month 72Last Available Visit
LTSE OCA Total-43.1-44.4-33.4-31.8

DB Phase: Alanine Aminotransferase (ALT) Absolute Change From Baseline To Month 12

Blood samples were evaluated for ALT levels. ALT absolute change from baseline (ALT at Month 12 - ALT at Baseline) is presented. (NCT01473524)
Timeframe: Baseline, DB Month 12

InterventionU/L (Least Squares Mean)
DB OCA 5-10 mg-21.26
DB OCA 10 mg-25.31
DB Placebo-4.95

DB Phase: ALP Absolute Change From Baseline To Month 12

Blood samples were evaluated for ALP levels. ALP Absolute Change From Baseline (ALP at Month 12 - ALP at Baseline) is presented. (NCT01473524)
Timeframe: Baseline, DB Month 12

InterventionU/L (Least Squares Mean)
DB OCA 5-10 mg-112.51
DB OCA 10 mg-129.90
DB Placebo-14.42

DB Phase: Aspartate Aminotransferase (AST) Absolute Change From Baseline To Month 12

Blood samples were evaluated for AST levels. AST absolute change from baseline (AST at Month 12 - AST at Baseline) is presented. (NCT01473524)
Timeframe: Baseline, DB Month 12

InterventionU/L (Least Squares Mean)
DB OCA 5-10 mg-13.03
DB OCA 10 mg-15.00
DB Placebo1.04

DB Phase: Composite Endpoint Alkaline Phosphatase (ALP) And Total Bilirubin, 10 mg OCA Versus Placebo

Percentage of participants at Month 12 with ALP < 1.67 x upper limit of normal (ULN) and total bilirubin ≤ ULN and ALP decrease of ≥ 15% from baseline. (NCT01473524)
Timeframe: DB Month 12

Interventionpercentage of participants (Number)
DB OCA 10 mg47
DB Placebo10

DB Phase: Composite Endpoint ALP And Total Bilirubin, 10 mg Versus Placebo

Percentage of participants at Month 6 with ALP < 1.67x ULN and total bilirubin ≤ ULN and ALP decrease of ≥ 15% from baseline. (NCT01473524)
Timeframe: DB Month 6

Interventionpercentage of participants (Number)
Double-blind OCA 10 mg51
Double-blind Placebo7

DB Phase: Composite Endpoint ALP And Total Bilirubin, 5-10 mg Versus Placebo

Percentage of participants at Month 12 with ALP < 1.67x ULN and total bilirubin ≤ ULN and ALP decrease of ≥ 15% from baseline. (NCT01473524)
Timeframe: DB Month 12

Interventionpercentage of participants (Number)
DB OCA 5-10 mg46
DB Placebo10

DB Phase: Composite Endpoint ALP And Total Bilirubin, 5-10 mg Versus Placebo

Percentage of participants at Month 6 with ALP < 1.67x ULN and total bilirubin ≤ ULN and ALP decrease of ≥ 15% from baseline. (NCT01473524)
Timeframe: DB Month 6

Interventionpercentage of participants (Number)
DB OCA 5-10 mg34
DB Placebo7

DB Phase: Direct Bilirubin Absolute Change From Baseline To Month 12

Blood samples were evaluated for bilirubin levels. Direct bilirubin absolute change from baseline (direct bilirubin at Month 12 - direct bilirubin at Baseline) is presented. (NCT01473524)
Timeframe: Baseline, DB Month 12

Interventionumol/L (Least Squares Mean)
DB OCA 5-10 mg-0.13
DB OCA 10 mg-0.49
DB Placebo1.89

DB Phase: Gamma-glutamyltransferase (GGT) Absolute Change From Baseline To Month 12

Blood samples were evaluated for GGT levels. GGT absolute change from baseline (GGT at Month 12 - GGT at Baseline) is presented. (NCT01473524)
Timeframe: Baseline, DB Month 12

InterventionU/L (Least Squares Mean)
DB OCA 5-10 mg-140.83
DB OCA 10 mg-176.66
DB Placebo6.70

DB Phase: Total Bilirubin Absolute Change From Baseline To Month 12

Blood samples were evaluated for bilirubin levels. Total bilirubin absolute change from baseline (total bilirubin at Month 12 - total bilirubin at Baseline) is presented. (NCT01473524)
Timeframe: Baseline, DB Month 12

Interventionumol/L (Least Squares Mean)
DB OCA 5-10 mg-0.33
DB OCA 10 mg-0.90
DB Placebo1.98

LTSE Phase: ALP Change From DB Baseline

Blood samples were evaluated for ALP levels. ALP Change From Baseline (ALP at LTSE Months 12, 24, 36, 48, and 60 - ALP at Baseline) is presented. DB baseline is the mean of all available evaluations prior to DB treatment. (NCT01473524)
Timeframe: DB Baseline, LTSE Months 12, 24, 36, 48, and 60

,,,
InterventionU/L (Mean)
Month 12Month 24Month 36Month 48Month 60
LTSE OCA (DB OCA 10 mg)-104.39-102.52-84.65-101.50-117.49
LTSE OCA (DB OCA 5-10 mg)-106.63-120.86-100.98-118.23-118.99
LTSE OCA (DB Placebo)-104.36-100.99-112.73-115.51-119.52
Overall LTSE OCA-105.13-108.34-98.96-111.49-118.74

LTSE Phase: ALP Levels

Blood samples were evaluated for ALP levels. (NCT01473524)
Timeframe: LTSE Day 0 and LTSE Months 12, 24, 36, 48, and 60

,,,
InterventionU/L (Mean)
LTSE Day 0LTSE Month 12LTSE Month 24LTSE Month 36LTSE Month 48LTSE Month 60
LTSE OCA (DB OCA 10 mg)191.24198.68194.57214.66192.00191.37
LTSE OCA (DB OCA 5-10 mg)218.69209.49195.14204.52189.75200.90
LTSE OCA (DB Placebo)317.79226.28215.99205.37198.70209.38
Overall LTSE OCA243.75211.47201.47208.27193.38200.94

LTSE Phase: Composite Endpoint ALP And Total Bilirubin

Percentage of participants at Months 24, 36, 48, and 60 with ALP < 1.67x ULN and total bilirubin ≤ ULN and ALP decrease of ≥ 15% from baseline. DB Month 12 is the baseline for the LTSE phase. (NCT01473524)
Timeframe: Baseline (DB Month 12), LTSE Months 24, 36, 48, and 60

,,,
Interventionpercentage of participants (Number)
Baseline (Double-blind Month 12)LTSE Month 12LTSE Month 24LTSE Month 36LTSE Month 48LTSE Month 60
LTSE OCA (DB OCA 10 mg)565861515552
LTSE OCA (DB OCA 5-10 mg)515560485248
LTSE OCA (DB Placebo)94154496050
Overall LTSE OCA385158495650

Ascending Colon Emptying (AC t_1/2)

(NCT00912301)
Timeframe: after 4 days' treatment

Interventionhours (Mean)
NaCDC 500 mg9.5
NaCDC 1000 mg8.2
Placebo15.8

Colonic Filling at 6 Hours

Percent of the radio-labeled meal that reached the colon at 6 hours, indirectly reflecting small bowel transit time. (NCT00912301)
Timeframe: after 4 days' treatment

Interventionpercentage of the radio-labeled meal (Mean)
NaCDC 500 mg52.6
NaCDC 1000 mg54.8
Placebo50.6

Colonic Geometric Center at 24 Hours (GC24)

The scintigraphic method is used to measure colonic transit. An isotope is adsorbed on activated charcoal particles and delivered to the colon in a delayed release capsule. Anterior and posterior gamma images are taken hourly. The geometric center (GC) is the weighted average of counts in the different colonic regions. The scale ranges from 1 to 5; a high GC implies faster colonic transit, a GC of 1 implies all isotope is in the ascending colon, and a GC of 5 implies all isotope is in the stool. (NCT00912301)
Timeframe: after 4 days of treatment

Interventionunits on a scale (Mean)
NaCDC 500 mg3.1
NaCDC 1000 mg3.5
Placebo2.2

Colonic Transit at 48 Hours (GC48)

The scintigraphic method is used to measure colonic transit. An isotope is adsorbed on activated charcoal particles and delivered to the colon in a delayed release capsule. Anterior and posterior gamma images are taken hourly. The geometric center (GC) is the weighted average of counts in the different colonic regions. The scale ranges from 1 to 5; a high GC implies faster colonic transit, a GC of 1 implies all isotope is in the ascending colon, and a GC of 5 implies all isotope is in the stool. (NCT00912301)
Timeframe: after 4 days of treatment

Interventionunits on a scale (Mean)
NaCDC 500 mg4.1
NaCDC 1000 mg4.3
Placebo3.8

Stool Consistency

"The subjects rated their stool consistency using the Bristol Stool Scale. The Bristol Stool Scale is a medical aid designed to classify the form of human feces into seven categories or types. Types 1 and 2 indicate constipation with 3 and 4 being the ideal stools especially the latter, as they are the easiest to defecate, and 5-7 tending towards diarrhea." (NCT00912301)
Timeframe: after 4 days' treatment

Interventionunits on a scale (Mean)
NaCDC 500 mg4.4
NaCDC 1000 mg4.4
Placebo2.9

Absolute Change From Baseline In HDL Cholesterol Concentration

(NCT01865812)
Timeframe: Baseline, Month 24/EOT

Interventionmmol/L (Least Squares Mean)
Long-term Safety Extension Phase0.5

Absolute Change From Baseline In HDL Particle Number

(NCT01865812)
Timeframe: Baseline, Month 24/EOT

Interventionumol/L (Least Squares Mean)
Long-term Safety Extension Phase-0.09

Absolute Change From Baseline In HDL Particle Number

(NCT01865812)
Timeframe: Baseline, Week 8

Interventionumol/L (Least Squares Mean)
Primary Treatment Phase-0.06

Absolute Change From Baseline In HDL Particle Size

(NCT01865812)
Timeframe: Baseline, Month 24/EOT

Interventionnm (Least Squares Mean)
Long-term Safety Extension Phase0.04

Absolute Change From Baseline In HDL Particle Size

(NCT01865812)
Timeframe: Baseline, Week 8

Interventionnm (Least Squares Mean)
Primary Treatment Phase-0.44

Absolute Change From Baseline In High-density Lipoprotein (HDL) Cholesterol Concentration

(NCT01865812)
Timeframe: Baseline, Week 8

Interventionmmol/L (Least Squares Mean)
Primary Treatment Phase-0.38

Median Change From Week 8 In HDL Cholesterol Concentration At Week 12

(NCT01865812)
Timeframe: Week 8, Week 12

Interventionmmol/L (Median)
Primary Treatment Phase0.3108

Median Change From Week 8 In HDL Particle Number At Week 12

(NCT01865812)
Timeframe: Week 8, Week 12

Interventionumol/L (Median)
Primary Treatment Phase1.40

Median Change From Week 8 In HDL Particle Size At Week 12

(NCT01865812)
Timeframe: Week 8, Week 12

Interventionnm (Median)
Primary Treatment Phase0.30

Area Under The Concentration-time Curve From Hour 0 To Last Sampling Time (Hour 6) (AUC0-6) For OCA And Conjugates

Results are reported in hour*nanograms per milliliter (h*ng/mL). (NCT01865812)
Timeframe: Week 8

Interventionh*ng/mL (Mean)
OCAGlyco-OCATauro-OCATotal-OCA
Primary Treatment Phase1897026981360

Maximum Plasma Concentration (Cmax) Of OCA And Conjugates

Results are reported in nanograms per milliliter (ng/mL). (NCT01865812)
Timeframe: Week 8

Interventionng/mL (Mean)
OCAGlycine Conjugate (Glyco)-OCATaurine Conjugate (Tauro)-OCATotal-OCA
Primary Treatment Phase107212219409

Median Change From Baseline In Alanine Aminotransferase

(NCT01865812)
Timeframe: Baseline, Month 6, Month 12, Month 18, Month 24/EOT

InterventionU/L (Median)
Month 6Month 12Month 18Month 24/EOT
Long-term Safety Extension Phase-9.80-9.80-11.80-5.95

Median Change From Baseline In Albumin

(NCT01865812)
Timeframe: Baseline, Month 6, Month 12, Month 18, Month 24/EOT

Interventiong/L (Median)
Month 6Month 12Month 18Month 24/EOT
Long-term Safety Extension Phase-0.60-0.201.300.05

Median Change From Baseline In Alkaline Phosphatase

Results are reported in units/Liter (U/L). (NCT01865812)
Timeframe: Baseline, Month 6, Month 12, Month 18, Month 24/EOT

InterventionU/L (Median)
Month 6Month 12Month 18Month 24/EOT
Long-term Safety Extension Phase-43.40-31.50-31.906.40

Median Change From Baseline In Amino-terminal Propeptide Of Type III Procollagen

Results are reported in micrograms/Liter (ug/L). (NCT01865812)
Timeframe: Baseline, Month 12, Month 24/EOT

Interventionug/L (Median)
Month 12Month 24/EOT
Long-term Safety Extension Phase0.6702.095

Median Change From Baseline In ApoA1/ApoB Ratio

(NCT01865812)
Timeframe: Baseline, Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

InterventionRatio (Median)
Week 12
Primary Treatment Phase-0.0503

Median Change From Baseline In ApoA1/ApoB Ratio

(NCT01865812)
Timeframe: Baseline, Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

InterventionRatio (Median)
Month 6Month 12Month 18Month 24/EOTLast Dose
Long-term Safety Extension Phase-0.2174-0.1659-0.2860-0.1172-0.291

Median Change From Baseline In Apolipoprotein A1 (ApoA1)

Results are reported in grams per liter (g/L). (NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

Interventiong/L (Median)
Week 4Week 8/EOTWeek 12
Primary Treatment Phase-0.1000-0.06000.0400

Median Change From Baseline In Apolipoprotein A1 (ApoA1)

Results are reported in grams per liter (g/L). (NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

Interventiong/L (Median)
Month 6Month 12Month 18Month 24/EOTLast Dose
Long-term Safety Extension Phase-0.1400-0.0900-0.10000.0100-0.045

Median Change From Baseline In Apolipoprotein B (ApoB)

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

Interventionunits on a scale (Median)
Week 4Week 8/EOTWeek 12
Primary Treatment Phase0.09500.07000.0500

Median Change From Baseline In Apolipoprotein B (ApoB)

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

Interventionunits on a scale (Median)
Month 6Month 12Month 18Month 24/EOTLast Dose
Long-term Safety Extension Phase0.04000.04000.06000.09000.060

Median Change From Baseline In Apolipoprotein E

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

Interventionmg/dL (Median)
Week 4Week 8/EOTWeek 12
Primary Treatment Phase-0.85-0.650.50

Median Change From Baseline In Apolipoprotein E

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

Interventionmg/dL (Median)
Month 6Month 12Month 18Month 24/EOTLast Dose
Long-term Safety Extension Phase-0.30-0.30-0.100.000.00

Median Change From Baseline In Aspartate Aminotransferase

(NCT01865812)
Timeframe: Baseline, Month 6, Month 12, Month 18, Month 24/EOT

InterventionU/L (Median)
Month 6Month 12Month 18Month 24/EOT
Long-term Safety Extension Phase-5.30-3.60-6.00-4.50

Median Change From Baseline In C-reactive Protein

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT

Interventionnmol/L (Median)
Week 4Week 8/EOTWeek 12
Primary Treatment Phase0.00000.000011.4288

Median Change From Baseline In C-reactive Protein

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT

Interventionnmol/L (Median)
Month 6Month 12Month 18Month 24/EOT
Long-term Safety Extension Phase0.000.000.000.00

Median Change From Baseline In Cholesteryl Ester Transfer Protein

Results are reported in picomole/milliliter/minute (pmol/mL/min). (NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT

Interventionpmol/mL/min (Median)
Week 4Week 8/EOTWeek 12
Primary Treatment Phase1.950.304.70

Median Change From Baseline In Cholesteryl Ester Transfer Protein

Results are reported in picomole/milliliter/minute (pmol/mL/min). (NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT

Interventionpmol/mL/min (Median)
Month 6Month 12Month 18Month 24/EOT
Long-term Safety Extension Phase1.20-0.600.500.40

Median Change From Baseline In Enhanced Liver Fibrosis (ELF) Score

"Change in ELF was calculated as ELF score at the end of the study minus ELF score prior to the intervention (at baseline). A decrease in the ELF score was considered good as it reflected a decrease in liver fibrosis, and an increase in ELF score was considered bad as it reflected an increase in liver fibrosis.~Change in ELF scores ranged from -0.56 (good) to + 0.68 (bad)." (NCT01865812)
Timeframe: Baseline, Month 12, Month 24/EOT

Interventionscore on a scale (Median)
Month 12Week 24/EOT
Long-term Safety Extension Phase0.0000.150

Median Change From Baseline In Fibroblast Growth Factor-19

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT

Interventionpg/mL (Median)
Week 4Week 8/EOTWeek 12
Primary Treatment Phase81.8800112.546016.8400

Median Change From Baseline In Fibroblast Growth Factor-19

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT

Interventionpg/mL (Median)
Month 6Month 12Month 18Month 24/EOT
Long-term Safety Extension Phase81.39029.22055.230-0.740

Median Change From Baseline In Gamma-glutamyl Transferase

(NCT01865812)
Timeframe: Baseline, Month 6, Month 12, Month 18, Month 24/EOT

InterventionU/L (Median)
Month 6Month 12Month 18Month 24/EOT
Long-term Safety Extension Phase-59.40-41.60-40.80-30.05

Median Change From Baseline In Glycoprotein A

Results are reported in picograms/milliliter (pg/mL). (NCT01865812)
Timeframe: Baseline, Week 12, Month 6, Month 12, Month 18, Month 24/EOT

Interventionpg/mL (Median)
Week 12
Primary Treatment Phase12.0

Median Change From Baseline In Glycoprotein A

Results are reported in picograms/milliliter (pg/mL). (NCT01865812)
Timeframe: Baseline, Week 12, Month 6, Month 12, Month 18, Month 24/EOT

Interventionpg/mL (Median)
Month 6Month 12Month 18Month 24/EOT
Long-term Safety Extension Phase-27.0-13.0-26.010.0

Median Change From Baseline In HDL Cholesterol Concentration At Weeks 4, 8, and 12

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8, Week 12

Interventionmmol/L (Median)
Week 4Week 8Week 12
Primary Treatment Phase-0.2072-0.31080.0518

Median Change From Baseline In HDL Particle Number At Weeks 4, 8, and 12

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8, Week 12

Interventionumol/L (Median)
Week 4Week 8Week 12
Primary Treatment Phase0.550.601.60

Median Change From Baseline In HDL Particle Size At Weeks 4, 8, and 12

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8, Week 12

Interventionnm (Median)
Week 4Week 8Week 12
Primary Treatment Phase-0.30-0.300.00

Median Change From Baseline In Hepatic Stiffness

Results are reported in kilopascal (kPa). (NCT01865812)
Timeframe: Baseline, Month 12, Month 24/EOT

InterventionkPa (Median)
Month 12Month 24/EOT
Long-term Safety Extension Phase-1.15-1.70

Median Change From Baseline In Hyaluronic Acid

(NCT01865812)
Timeframe: Baseline, Month 12, Month 24/EOT

Interventionng/mL (Median)
Month 12Month 24/EOT
Long-term Safety Extension Phase-5.700-1.805

Median Change From Baseline In LDL Particle Size

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

Interventionnm (Median)
Week 4Week 8/EOTWeek 12
Primary Treatment Phase-0.30-0.100.00

Median Change From Baseline In LDL Particle Size

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

Interventionnm (Median)
Month 6Month 12Month 18Month 24/EOTLast Dose
Long-term Safety Extension Phase-0.10-0.20-0.10-0.10-0.10

Median Change From Baseline In Lecithin-cholesterol Acyltransferase Activity

Results are reported in nanomoles/milliliter/hour (nmol/mL/h). (NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT

Interventionnmol/mL/h (Median)
Week 4Week 8/EOTWeek 12
Primary Treatment Phase-20.5-13.515.5

Median Change From Baseline In Lecithin-cholesterol Acyltransferase Activity

Results are reported in nanomoles/milliliter/hour (nmol/mL/h). (NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT

Interventionnmol/mL/h (Median)
Month 6Month 12Month 18Month 24/EOT
Long-term Safety Extension Phase-47.046.0-19.0-56.0

Median Change From Baseline In Lipoprotein-a

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

Interventionumol/L (Median)
Week 4Week 8/EOTWeek 12
Primary Treatment Phase0.00000.00000.0000

Median Change From Baseline In Lipoprotein-a

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

Interventionumol/L (Median)
Month 6Month 12Month 18Month 24/EOTLast Dose
Long-term Safety Extension Phase0.00000.00000.00000.00000.000

Median Change From Baseline In Low-density Lipoprotein (LDL) Cholesterol (Direct)

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

Interventionmmol/L (Median)
Week 4Week 8/EOTWeek 12
Primary Treatment Phase0.270.310.18

Median Change From Baseline In Low-density Lipoprotein (LDL) Cholesterol (Direct)

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

Interventionmmol/L (Median)
Month 6Month 12Month 18Month 24/EOTLast Dose
Long-term Safety Extension Phase0.31080.44030.59570.31080.518

Median Change From Baseline In Macrophage Cholesterol Efflux

Results are reported as a percentage of cholesterol. (NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Month 6, Month 12, Month 18, Month 24/EOT

Interventionpercentage of cholesterol (Median)
Week 4Week 8
Primary Treatment Phase-0.800-0.705

Median Change From Baseline In Macrophage Cholesterol Efflux

Results are reported as a percentage of cholesterol. (NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Month 6, Month 12, Month 18, Month 24/EOT

Interventionpercentage of cholesterol (Median)
Month 6Month 12Month 18Month 24/EOT
Long-term Safety Extension Phase-1.745-1.940-2.450-0.770

Median Change From Baseline In Prebeta-1 HDL Concentration

Results are reported in microgram/milliliter (ug/mL). (NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Month 6, Month 12, Month 18, Month 24/EOT

Interventionug/mL (Median)
Week 4Week 8
Primary Treatment Phase1.557.55

Median Change From Baseline In Prebeta-1 HDL Concentration

Results are reported in microgram/milliliter (ug/mL). (NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Month 6, Month 12, Month 18, Month 24/EOT

Interventionug/mL (Median)
Month 6Month 12Month 18Month 24/EOT
Long-term Safety Extension Phase-6.90-10.051.94-1.35

Median Change From Baseline In Prothrombin International Normalized Ratio

(NCT01865812)
Timeframe: Baseline, Month 6, Month 12, Month 18, Month 24/EOT

Interventionratio (Median)
Month 6Month 12Month 18Month 24/EOT
Long-term Safety Extension Phase0.00000.00000.00000.0000

Median Change From Baseline In Prothrombin Time

Results are reported in seconds (sec). (NCT01865812)
Timeframe: Baseline, Month 6, Month 12, Month 18, Month 24/EOT

Interventionsec (Median)
Month 6Month 12Month 18Month 24/EOT
Long-term Safety Extension Phase0.000-0.0500.4000.200

Median Change From Baseline In Tissue Inhibitor Of Metalloproteinases 1

(NCT01865812)
Timeframe: Baseline, Month 12, Month 24/EOT

Interventionug/L (Median)
Month 12Month 24/EOT
Long-term Safety Extension Phase9.6002.000

Median Change From Baseline In Total And Unconjugated (Direct) Bilirubin

(NCT01865812)
Timeframe: Baseline, Month 6, Month 12, Month 18, Month 24/EOT

Interventionumol/L (Median)
Month 6Month 12Month 18Month 24/EOT
Long-term Safety Extension Phase0.00000.00000.00000.0000

Median Change From Baseline In Total Bile Acids

(NCT01865812)
Timeframe: Baseline, Month 6, Month 12, Month 18, Month 24/EOT

Interventionumol/L (Median)
Month 6Month 12Month 18Month 24/EOT
Long-term Safety Extension Phase-1.56-1.14-4.61-4.91

Median Change From Baseline In Total Chenodeoxycholic Acid

(NCT01865812)
Timeframe: Baseline, Month 6, Month 12, Month 18, Month 24/EOT

Interventionumol/L (Median)
Month 6Month 12Month 18Month 24/EOT
Long-term Safety Extension Phase-0.20-0.35-1.28-1.17

Median Change From Baseline In Total Cholesterol

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

Interventionmmol/L (Median)
Week 4Week 8/EOTWeek 12
Primary Treatment Phase-0.0518-0.28490.2331

Median Change From Baseline In Total Cholesterol

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

Interventionmmol/L (Median)
Month 6Month 12Month 18Month 24/EOTLast Dose
Long-term Safety Extension Phase-0.18130.07770.2849-0.07770.285

Median Change From Baseline In Total Cholic Acid

(NCT01865812)
Timeframe: Baseline, Month 6, Month 12, Month 18, Month 24/EOT

Interventionumol/L (Median)
Month 6Month 12Month 18Month 24/EOT
Long-term Safety Extension Phase-0.39-0.48-0.49-0.39

Median Change From Baseline In Total Deoxycholic Acid

(NCT01865812)
Timeframe: Baseline, Month 6, Month 12, Month 18, Month 24/EOT

Interventionumol/L (Median)
Month 6Month 12Month 18Month 24/EOT
Long-term Safety Extension Phase-0.59-0.56-0.51-0.59

Median Change From Baseline In Total Endogenous Bile Acid

(NCT01865812)
Timeframe: Baseline, Month 6, Month 12, Month 18, Month 24/EOT

Interventionumol/L (Median)
Month 6Month 12Month 18Month 24/EOT
Long-term Safety Extension Phase-0.83-0.77-2.19-2.02

Median Change From Baseline In Total LDL Particles

Results are reported in nanomoles per liter (nmol/L). (NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

Interventionnmol/L (Median)
Month 6 (Small)Month 12 (Small)Month 18 (Small)Month 24/EOT (Small)Last Dose (Small)Month 6 (Large)Month 12 (Large)Month 18 (Large)Month 24/EOT (Large)Last Dose (Large)Month 6 (Intermediate-density Lipoprotein [IDL])Month 12 (IDL)Month 18 (IDL)Month 24/EOT (IDL)Last Dose (IDL)
Long-term Safety Extension Phase148.089.018.034.022.09.0-53.0-18.0-122.0-8.0-12.0-57.0-43.078.011.0

Median Change From Baseline In Total LDL Particles

Results are reported in nanomoles per liter (nmol/L). (NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

Interventionnmol/L (Median)
Week 4Week 8/EOTWeek 12
Primary Treatment Phase108.0128.0159.0

Median Change From Baseline In Total Lithocholic Acid

(NCT01865812)
Timeframe: Baseline, Month 6, Month 12, Month 18, Month 24/EOT

Interventionumol/L (Median)
Month 6Month 12Month 18Month 24/EOT
Long-term Safety Extension Phase0.000.000.000.00

Median Change From Baseline In Total Triglycerides

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

Interventionmmol/L (Median)
Week 4Week 8/EOTWeek 12
Primary Treatment Phase-0.02260.05650.1130

Median Change From Baseline In Total Triglycerides

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

Interventionmmol/L (Median)
Month 6Month 12Month 18Month 24/EOTLast Dose
Long-term Safety Extension Phase-0.1469-0.0113-0.05650.000-0.068

Median Change From Baseline In Total UDCA

(NCT01865812)
Timeframe: Baseline, Month 6, Month 12, Month 18, Month 24/EOT

Interventionumol/L (Median)
Month 6Month 12Month 18Month 24/EOT
Long-term Safety Extension Phase-0.34-0.47-2.89-1.68

Median Change From Baseline In Very Low-density Lipoprotein (VLDL) Cholesterol

Results are reported in milligrams per deciliter (mg/dL). (NCT01865812)
Timeframe: Baseline, Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

Interventionmg/dL (Median)
Week 12
Primary Treatment Phase5.0

Median Change From Baseline In Very Low-density Lipoprotein (VLDL) Cholesterol

Results are reported in milligrams per deciliter (mg/dL). (NCT01865812)
Timeframe: Baseline, Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

Interventionmg/dL (Median)
Month 6Month 12Month 18Month 24/EOTLast Dose
Long-term Safety Extension Phase-21.0-7.0-14.0-1.0-11.5

Median Change From Baseline In VLDL Particle Size

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

Interventionnm (Median)
Week 4Week 8/EOTWeek 12
Primary Treatment Phase42.5543.4045.10

Median Change From Baseline In VLDL Particle Size

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

Interventionnm (Median)
Month 6Month 12Month 18Month 24/EOTLast Dose
Long-term Safety Extension Phase-4.80-3.50-4.900.50-4.10

Median Change From Baseline In VLDL Particles

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

Interventionnmol/L (Median)
Week 4Week 8/EOTWeek 12
Primary Treatment Phase-5.552.70-0.90

Median Change From Baseline In VLDL Particles

(NCT01865812)
Timeframe: Baseline, Week 4, Week 8/End of Treatment (EOT), Week 12, Month 6, Month 12, Month 18, Month 24/EOT, Last Dose

Interventionnmol/L (Median)
Month 6Month 12Month 18Month 24/EOTLast Dose
Long-term Safety Extension Phase-4.70-6.20-6.80-0.30-6.80

Participants With Lipoprotein X

Lipoprotein samples were assessed using nuclear magnetic resonance spectroscopy for the presence/absence of Lipoprotein X. Lipoprotein X sometimes appears with advanced cholestasis and can confound assessment of other lipoprotein concentrations, particularly LDL. (NCT01865812)
Timeframe: Week 12 and Last Dose

,
InterventionParticipants (Count of Participants)
Week 12Last Dose
Long-term Safety Extension Phase00
Primary Treatment Phase10

Time To Reach Cmax (Tmax) For OCA And Conjugates

Results are reported in hours (h). (NCT01865812)
Timeframe: Week 8

Interventionh (Median)
OCAGlyco-OCATauro-OCATotal-OCA
Primary Treatment Phase1.005.005.985.00

SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
sulfobromophthalein sodium[no description available]medium50organic sodium saltdye
taurocholic acid[no description available]high1770amino sulfonic acid;
bile acid taurine conjugate		human metabolite
glycocholic acid[no description available]high962bile acid glycine conjugatehuman metabolite
glycocholic acid[no description available]high960bile acid glycine conjugatehuman metabolite
ursodeoxycholic acid[no description available]high71062bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
ursodeoxycholic acid[no description available]high7100bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
taurochenodeoxycholic acid[no description available]high850bile acid taurine conjugatehuman metabolite;
mouse metabolite
ursodoxicoltaurine[no description available]medium420bile acid taurine conjugateanti-inflammatory agent;
apoptosis inhibitor;
bone density conservation agent;
cardioprotective agent;
human metabolite;
neuroprotective agent
taurolithocholic acid[no description available]high180bile acid taurine conjugate;
monocarboxylic acid amide		human metabolite
probenecid[no description available]medium100benzoic acids;
sulfonamide		uricosuric drug
glycochenodeoxycholic acid[no description available]high491bile acid glycine conjugatehuman metabolite
glycochenodeoxycholic acid[no description available]high490bile acid glycine conjugatehuman metabolite
deoxycholic acid[no description available]high69939bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human blood serum metabolite
deoxycholic acid[no description available]high6990bile acid;
C24-steroid;
dihydroxy-5beta-cholanic acid		human blood serum metabolite
sodium taurodeoxycholate[no description available]high250bile acid taurine conjugatehuman metabolite
glycodeoxycholic acid[no description available]high210bile acid glycine conjugatehuman metabolite
bilirubin[no description available]high768biladienes;
dicarboxylic acid		antioxidant;
human metabolite;
mouse metabolite
bilirubin[no description available]high760biladienes;
dicarboxylic acid		antioxidant;
human metabolite;
mouse metabolite
bumetanide[no description available]medium70amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
lithocholic acid[no description available]high31011bile acid;
C24-steroid;
monohydroxy-5beta-cholanic acid		geroprotector;
human metabolite;
mouse metabolite
lithocholic acid[no description available]high3100bile acid;
C24-steroid;
monohydroxy-5beta-cholanic acid		geroprotector;
human metabolite;
mouse metabolite
glycolithocholic acid[no description available]medium70bile acid glycine conjugate;
N-acylglycine
cyclosporine[no description available]medium70homodetic 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
glycoursodeoxycholic acid[no description available]medium190bile acid glycine conjugate;
N-acylglycine		human blood serum metabolite;
neuroprotective agent
4-hydroxybenzoic acid[no description available]medium20monohydroxybenzoic acidalgal metabolite;
plant metabolite
benzoic acid[no description available]medium20benzoic acidsalgal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite
benzyl alcohol[no description available]medium20benzyl alcoholsantioxidant;
fragrance;
metabolite;
solvent
butyric acid[no description available]medium20fatty acid 4:0;
straight-chain saturated fatty acid		human urinary metabolite;
Mycoplasma genitalium metabolite
salicylic acid[no description available]medium20monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
gallic acid[no description available]medium10trihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite
octanoic acid[no description available]medium10medium-chain fatty acid;
straight-chain saturated fatty acid		antibacterial agent;
Escherichia coli metabolite;
human metabolite
4-aminophenol[no description available]medium20aminophenolallergen;
metabolite
hydroquinone[no description available]medium30benzenediol;
hydroquinones		antioxidant;
carcinogenic agent;
cofactor;
Escherichia coli metabolite;
human xenobiotic metabolite;
mouse metabolite;
skin lightening agent
methanol[no description available]high40alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound		amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite
n,n-dimethylaniline[no description available]medium20dimethylaniline;
tertiary amine
4-nitrophenol[no description available]medium204-nitrophenolshuman xenobiotic metabolite;
mouse metabolite
phenol[no description available]high40phenolsantiseptic drug;
disinfectant;
human xenobiotic metabolite;
mouse metabolite
pyrogallol[no description available]medium10benzenetriol;
phenolic donor		plant metabolite
tryptophan[no description available]medium10alpha-amino acid;
amino acid zwitterion;
aminoalkylindole;
aromatic amino acid;
polar amino acid		Daphnia magna metabolite
vanillin[no description available]medium10benzaldehydes;
monomethoxybenzene;
phenols		anti-inflammatory agent;
anticonvulsant;
antioxidant;
flavouring agent;
plant metabolite
catechin[no description available]medium20hydroxyflavan
menthol[no description available]medium30p-menthane monoterpenoid;
secondary alcohol		volatile oil component
menthol[no description available]medium31p-menthane monoterpenoid;
secondary alcohol		volatile oil component
2-aminofluorene[no description available]medium10
homovanillic acid[no description available]medium10guaiacols;
monocarboxylic acid		human metabolite;
mouse metabolite
6-hydroxymelatonin[no description available]medium10acetamides;
tryptamines		metabolite;
mouse metabolite
oxyquinoline[no description available]medium10monohydroxyquinolineantibacterial agent;
antifungal agrochemical;
antiseptic drug;
iron chelator
acetaminophen[no description available]medium60acetamides;
phenols		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
cyclooxygenase 3 inhibitor;
environmental contaminant;
ferroptosis inducer;
geroprotector;
hepatotoxic agent;
human blood serum metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
amitriptyline[no description available]medium50carbotricyclic compound;
tertiary amine		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic
aspirin[no description available]medium110benzoic acids;
phenyl acetates;
salicylates		anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent
aspirin[no description available]medium111benzoic acids;
phenyl acetates;
salicylates		anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent
beta-naphthoflavone[no description available]medium10extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound		aryl hydrocarbon receptor agonist
carbamazepine[no description available]medium80dibenzoazepine;
ureas		analgesic;
anticonvulsant;
antimanic drug;
drug allergen;
EC 3.5.1.98 (histone deacetylase) inhibitor;
environmental contaminant;
glutamate transporter activator;
mitogen;
non-narcotic analgesic;
sodium channel blocker;
xenobiotic
chlorpheniramine[no description available]medium30monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antidepressant;
antipruritic drug;
H1-receptor antagonist;
histamine antagonist;
serotonin uptake inhibitor
chlorpromazine[no description available]medium60organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
ciprofibrate[no description available]medium50cyclopropanes;
monocarboxylic acid;
organochlorine compound		antilipemic drug
clofibrate[no description available]medium170aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist
clofibrate[no description available]medium171aromatic ether;
ethyl ester;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
geroprotector;
PPARalpha agonist
clofibric acid[no description available]medium50aromatic ether;
monocarboxylic acid;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist
clofibric acid[no description available]medium51aromatic ether;
monocarboxylic acid;
monochlorobenzenes		anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist
4-chloro-N-(2,6-dimethyl-1-piperidinyl)-3-sulfamoylbenzamide[no description available]medium10sulfonamide
4-cresol[no description available]medium20cresolEscherichia coli metabolite;
human metabolite;
uremic toxin
cyproheptadine[no description available]medium30piperidines;
tertiary amine		anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist
danthron[no description available]medium20dihydroxyanthraquinoneapoptosis inducer;
plant metabolite
dapsone[no description available]medium50substituted aniline;
sulfone		anti-inflammatory drug;
antiinfective agent;
antimalarial;
leprostatic drug
decanoic acid[no description available]medium10medium-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
anti-inflammatory agent;
antibacterial agent;
human metabolite;
plant metabolite;
volatile oil component
desipramine[no description available]medium50dibenzoazepine;
secondary amino compound		adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
cholinergic antagonist;
drug allergen;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
serotonin uptake inhibitor
diflunisal[no description available]medium60monohydroxybenzoic acid;
organofluorine compound		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
diphenhydramine[no description available]medium30ether;
tertiary amino compound		anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative
valproic acid[no description available]medium100branched-chain fatty acid;
branched-chain saturated fatty acid		anticonvulsant;
antimanic drug;
EC 3.5.1.98 (histone deacetylase) inhibitor;
GABA agent;
neuroprotective agent;
psychotropic drug;
teratogenic agent
doxepin[no description available]medium40dibenzooxepine;
tertiary amino compound		antidepressant
doxylamine[no description available]medium20pyridines;
tertiary amine		anti-allergic agent;
antiemetic;
antitussive;
cholinergic antagonist;
H1-receptor antagonist;
histamine antagonist;
sedative
emodin[no description available]medium10trihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor
ethacrynic acid[no description available]medium40aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid		EC 2.5.1.18 (glutathione transferase) inhibitor;
ion transport inhibitor;
loop diuretic
fenoprofen[no description available]medium20monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
berotek[no description available]medium10resorcinols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent
fluphenazine[no description available]medium30N-alkylpiperazine;
organofluorine compound;
phenothiazines		anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
fluorescite[no description available]medium30benzoic acids;
cyclic ketone;
hydroxy monocarboxylic acid;
organic heterotricyclic compound;
phenols;
xanthene dye		fluorescent dye;
radioopaque medium
furosemide[no description available]medium110chlorobenzoic acid;
furans;
sulfonamide		environmental contaminant;
loop diuretic;
xenobiotic
ibuprofen[no description available]medium70monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
imipramine[no description available]medium30dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
indomethacin[no description available]medium150aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic
ketoprofen[no description available]medium90benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
ketotifen[no description available]medium30cyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound		anti-asthmatic drug;
H1-receptor antagonist
labetalol[no description available]medium60benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
lamotrigine[no description available]medium401,2,4-triazines;
dichlorobenzene;
primary arylamine		anticonvulsant;
antidepressant;
antimanic drug;
calcium channel blocker;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
excitatory amino acid antagonist;
geroprotector;
non-narcotic analgesic;
xenobiotic
lauric acid[no description available]medium10medium-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
antibacterial agent;
plant metabolite
lorazepam[no description available]medium20benzodiazepine
losartan[no description available]medium70biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
loxapine[no description available]medium30dibenzooxazepineantipsychotic agent;
dopaminergic antagonist
meperidine[no description available]medium30ethyl ester;
piperidinecarboxylate ester;
tertiary amino compound		antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
mesalamine[no description available]medium60amino acid;
aromatic amine;
monocarboxylic acid;
monohydroxybenzoic acid;
phenols		non-steroidal anti-inflammatory drug
mexiletine[no description available]medium30aromatic ether;
primary amino compound		anti-arrhythmia drug
mitoxantrone[no description available]medium60dihydroxyanthraquinoneanalgesic;
antineoplastic agent
nortriptyline[no description available]medium40organic tricyclic compound;
secondary amine		adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite
oxazepam[no description available]medium401,4-benzodiazepinone;
organochlorine compound		anxiolytic drug;
environmental contaminant;
xenobiotic
oxyphenbutazone[no description available]medium20phenols;
pyrazolidines		antimicrobial agent;
antineoplastic agent;
antipyretic;
drug metabolite;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite
aminosalicylic acid[no description available]medium50aminobenzoic acid;
phenols		antitubercular agent
pheniramine[no description available]medium10pyridines;
tertiary amino compound
phenobarbital[no description available]medium400barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
phenobarbital[no description available]medium404barbituratesanticonvulsant;
drug allergen;
excitatory amino acid antagonist;
sedative
phenolphthalein[no description available]medium20phenols
phenolsulfonphthalein[no description available]medium202,1-benzoxathiole;
arenesulfonate ester;
phenols;
sultone		acid-base indicator;
diagnostic agent;
two-colour indicator
phenylbutazone[no description available]medium40pyrazolidinesantirheumatic drug;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
metabolite;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
promethazine[no description available]medium30phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
propofol[no description available]medium60phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
propranolol[no description available]medium90naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
propyl gallate[no description available]medium20trihydroxybenzoic acid
pyrilamine[no description available]medium20aromatic ether;
ethylenediamine derivative		H1-receptor antagonist
1,2,5,8-tetrahydroxy anthraquinone[no description available]medium10tetrahydroxyanthraquinoneEC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
salicylamide[no description available]medium20phenols;
salicylamides		antirheumatic drug;
non-narcotic analgesic
sulfadimethoxine[no description available]medium40aromatic ether;
pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
drug allergen;
environmental contaminant;
xenobiotic
sulfathiazole[no description available]medium201,3-thiazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
sulfinpyrazone[no description available]medium60pyrazolidines;
sulfoxide		uricosuric drug
suprofen[no description available]medium30aromatic 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
temazepam[no description available]medium40benzodiazepine
terfenadine[no description available]medium60diarylmethane
thonzylamine[no description available]medium10methoxybenzenes
tiaprofenic acid[no description available]medium20aromatic ketone;
monocarboxylic acid;
thiophenes		drug allergen;
non-steroidal anti-inflammatory drug
trifluoperazine[no description available]medium70N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines		antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug
triflupromazine[no description available]medium20organofluorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
tripelennamine[no description available]medium10aromatic amine
zomepirac[no description available]medium40aromatic ketone;
monocarboxylic acid;
monochlorobenzenes;
pyrroles		cardiovascular drug;
non-steroidal anti-inflammatory drug
corticosterone[no description available]high3011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite
estriol[no description available]high3016alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid		estrogen;
human metabolite;
human xenobiotic metabolite;
mouse metabolite
2-aminophenol[no description available]medium10aminophenolbacterial metabolite
thyroxine[no description available]high702-halophenol;
iodophenol;
L-phenylalanine derivative;
non-proteinogenic L-alpha-amino acid;
thyroxine zwitterion;
thyroxine		antithyroid drug;
human metabolite;
mouse metabolite;
thyroid hormone
aldosterone[no description available]high3011beta-hydroxy steroid;
18-oxo steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
mineralocorticoid;
primary alpha-hydroxy ketone;
steroid aldehyde		human metabolite;
mouse metabolite
tetrahydrocortisol[no description available]medium2011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3alpha-hydroxy steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
prednisone[no description available]medium9011-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
immunosuppressive agent;
prodrug
tetrahydrocortisone[no description available]medium1021-hydroxy steroid
estrone[no description available]high6017-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols		antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
androsterone[no description available]high4017-oxo steroid;
3alpha-hydroxy steroid;
androstanoid;
C19-steroid		androgen;
anticonvulsant;
human blood serum metabolite;
human metabolite;
human urinary metabolite;
mouse metabolite;
pheromone
etiocholanolone[no description available]medium2017-oxo steroid;
3alpha-hydroxy steroid;
androstanoid		human metabolite;
mouse metabolite
dehydroepiandrosterone[no description available]high5017-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid		androgen;
human metabolite;
mouse metabolite
hydroxyacetylaminofluorene[no description available]medium102-acetamidofluorenes
triiodothyronine[no description available]high1202-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine		human metabolite;
mouse metabolite;
thyroid hormone
benz(a)anthracene[no description available]medium10ortho-fused polycyclic arene;
tetraphenes
chloramphenicol[no description available]medium40C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
ethinyl estradiol[no description available]medium17017-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound		xenoestrogen
aniline[no description available]medium20anilines;
primary arylamine
desoxycorticosterone[no description available]medium1020-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
mineralocorticoid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite
norethindrone[no description available]medium7017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol		progestin;
synthetic oral contraceptive
norethynodrel[no description available]medium20oxo steroid
17-alpha-hydroxyprogesterone[no description available]medium1017alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone		human metabolite;
metabolite;
mouse metabolite;
progestin
ampicillin[no description available]medium60beta-lactam antibiotic;
penicillin allergen;
penicillin		antibacterial drug
alizarin[no description available]medium10dihydroxyanthraquinonechromophore;
dye;
plant metabolite
linalool[no description available]medium10monoterpenoid;
tertiary alcohol		antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component
1,4-dihydroxyanthraquinone[no description available]medium10dihydroxyanthraquinonedye
cyclizine[no description available]medium30N-alkylpiperazineantiemetic;
central nervous system depressant;
cholinergic antagonist;
H1-receptor antagonist;
local anaesthetic
2,6-dihydroxyanthraquinone[no description available]medium10dihydroxyanthraquinoneantimutagen;
plant metabolite
9,10-anthraquinone[no description available]medium10anthraquinone
thymol[no description available]medium10monoterpenoid;
phenols		volatile oil component
1-naphthol[no description available]medium10naphtholgenotoxin;
human xenobiotic metabolite
2-aminodiphenyl[no description available]medium10
2-phenylphenol[no description available]medium10hydroxybiphenylsantifungal agrochemical;
environmental food contaminant
quinoline[no description available]medium20azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinolines
2-naphthylamine[no description available]medium10naphthylaminecarcinogenic agent
4-biphenylamine[no description available]medium10aminobiphenylcarcinogenic agent
4-phenylphenol[no description available]medium10hydroxybiphenyls
benzidine[no description available]medium20biphenyls;
substituted aniline		carcinogenic agent
4,4'-dihydroxybiphenyl[no description available]medium10hydroxybiphenyls
propylparaben[no description available]medium20benzoate ester;
paraben;
phenols		antifungal agent;
antimicrobial agent
butylphen[no description available]medium20phenolsallergen
methylparaben[no description available]medium10parabenantifungal agent;
antimicrobial food preservative;
neuroprotective agent;
plant metabolite
4-isopropylphenol[no description available]medium20phenolsflavouring agent
4-hydroxyacetophenone[no description available]medium20monohydroxyacetophenonefungal metabolite;
mouse metabolite;
plant metabolite
4-benzylphenol[no description available]medium10
2-ethylhexanol[no description available]medium10primary alcoholplant metabolite;
volatile oil component
2,2,2-trichloroethanol[no description available]medium10chloroethanolmouse metabolite
anthrarufin[no description available]medium10dihydroxyanthraquinone
2-toluic acid[no description available]medium10methylbenzoic acidxenobiotic metabolite
ethyl-p-hydroxybenzoate[no description available]medium20ethyl ester;
paraben		antifungal agent;
antimicrobial food preservative;
phytoestrogen;
plant metabolite
3-tert-butyl-4-hydroxyanisole[no description available]medium10aromatic ether;
phenols		antioxidant;
human xenobiotic metabolite
1-naphthylamine[no description available]medium10naphthylaminehuman xenobiotic metabolite
2-naphthol[no description available]medium10naphtholantinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger
shikimic acid[no description available]medium10alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid;
hydroxy monocarboxylic acid		Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
citronellol[no description available]medium10monoterpenoidplant metabolite
hexanoic acid[no description available]medium10medium-chain fatty acid;
straight-chain saturated fatty acid		human metabolite;
plant metabolite
pregnenolone[no description available]medium1020-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
C21-steroid		human metabolite;
mouse metabolite
ditiocarb[no description available]medium10dithiocarbamic acidschelator;
copper chelator
mequinol[no description available]medium30methoxybenzenes;
phenols		metabolite
catechin[no description available]medium60catechinantioxidant;
plant metabolite
catechin[no description available]medium61catechinantioxidant;
plant metabolite
phenetidine[no description available]medium10aromatic ether;
primary amino compound;
substituted aniline		drug metabolite
4-hydroxyphenobarbital[no description available]medium10barbiturates
epitestosterone[no description available]medium1017alpha-hydroxy steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen antagonist;
human metabolite
chrysophanic acid[no description available]medium10dihydroxyanthraquinoneanti-inflammatory agent;
antiviral agent;
plant metabolite
carvacrol[no description available]medium10botanical anti-fungal agent;
p-menthane monoterpenoid;
phenols		agrochemical;
antimicrobial agent;
flavouring agent;
TRPA1 channel agonist;
volatile oil component
androstenediol[no description available]medium1017beta-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid		androgen;
human metabolite;
mouse metabolite;
radiation protective agent
dihydrotestosterone[no description available]high4017beta-hydroxy steroid;
17beta-hydroxyandrostan-3-one;
3-oxo-5alpha-steroid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite
1,2,3,4-tetrahydro-1-naphthalenol[no description available]medium10
4-iodophenol[no description available]medium20iodophenol
myristic acid[no description available]medium10long-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
Daphnia magna metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol[no description available]medium10terpineol;
tertiary alcohol		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiparasitic agent;
apoptosis inducer;
plant metabolite;
volatile oil component
3-hydroxyflavone[no description available]medium10flavonols;
monohydroxyflavone
6-hydroxyquinoline[no description available]medium10monohydroxyquinoline
3-hydroxybiphenyl[no description available]medium10hydroxybiphenyls
diphenylamine[no description available]medium10aromatic amine;
bridged diphenyl fungicide;
secondary amino compound		antifungal agrochemical;
antioxidant;
carotogenesis inhibitor;
EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor;
ferroptosis inhibitor;
radical scavenger
alpha-naphthoflavone[no description available]medium10extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound		aryl hydrocarbon receptor agonist;
aryl hydrocarbon receptor antagonist;
EC 1.14.14.14 (aromatase) inhibitor
4-propylphenol[no description available]medium20alkylbenzene
hexafluoroisopropanol[no description available]medium10organofluorine compound;
secondary alcohol		drug metabolite
d-alpha tocopherol[no description available]medium200alpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite
fenchol[no description available]medium10
4-n-Butylphenol[no description available]medium20phenols
4-hydroxyazobenzene[no description available]medium10
4-nitrothiophenolate[no description available]medium10
5 alpha-androstane-3 alpha,17 beta-diol[no description available]medium20androstane-3alpha,17beta-diolDaphnia magna metabolite;
human metabolite
menthol[no description available]medium10p-menthan-3-olantipruritic drug;
antispasmodic drug;
antitussive
hydroxyphenytoin[no description available]medium10imidazolidine-2,4-dione;
phenols		metabolite
mono-(2-ethylhexyl)phthalate[no description available]medium10phthalic acid monoester
1-naphthalenemethanol[no description available]medium10naphthylmethanolmouse metabolite
dexpropranolol[no description available]medium10propranolol
butylated hydroxyanisole[no description available]medium10
3-hydroxybenzo(a)pyrene[no description available]medium10ortho- and peri-fused polycyclic arene
4-n-Pentylphenol[no description available]medium20phenols
9-hydroxybenzo(a)pyrene[no description available]medium10ortho- and peri-fused polycyclic arene
daunorubicin[no description available]medium40aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite
n-phenylethanolamine[no description available]medium10aralkylamine
4-ethylphenol[no description available]medium20phenolsfungal xenobiotic metabolite
pregnanolone[no description available]high403-hydroxy-5beta-pregnan-20-one;
3alpha-hydroxy steroid		human metabolite;
intravenous anaesthetic;
sedative
butylated hydroxytoluene[no description available]medium30phenolsantioxidant;
ferroptosis inhibitor;
food additive;
geroprotector
zidovudine[no description available]medium70azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
6-hydroxybenzo(a)pyrene[no description available]medium10ortho- and peri-fused polycyclic arene
dexibuprofen[no description available]medium10ibuprofennon-narcotic analgesic;
non-steroidal anti-inflammatory drug
benoxaprofen[no description available]medium501,3-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
2-hydroxybenzo(a)pyrene[no description available]medium10ortho- and peri-fused polycyclic arene
octyl gallate[no description available]medium10gallate esterfood antioxidant;
hypoglycemic agent;
plant metabolite
4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol[no description available]medium20stilbenoid
2',7'-dichlorofluorescein[no description available]medium102-benzofuransfluorochrome
16-hydroxytestosterone[no description available]medium1016alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
androstanoid;
C19-steroid;
diol;
secondary alcohol		androgen
2-methoxyestradiol[no description available]medium2017beta-hydroxy steroid;
3-hydroxy steroid		angiogenesis modulating agent;
antimitotic;
antineoplastic agent;
human metabolite;
metabolite;
mouse metabolite
5,6,7,8-tetrahydro-1-naphthol[no description available]medium10tetralins
alfatradiol[no description available]medium1017alpha-hydroxy steroid;
3-hydroxy steroid;
estradiol		estrogen;
geroprotector
4-hydroxyquinoline[no description available]medium10monohydroxyquinoline;
quinolone
17-alpha-hydroxypregnenolone[no description available]medium1017alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid;
hydroxypregnenolone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite
5-(3-hydroxyphenyl)-5-phenylhydantoin[no description available]medium10
7-amino-4-methylcoumarin[no description available]medium107-aminocoumarinsfluorochrome
11-hydroxyprogesterone, (11alpha)-isomer[no description available]medium1011alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid
brexanolone[no description available]medium103-hydroxy-5alpha-pregnan-20-oneantidepressant;
GABA modulator;
human metabolite;
intravenous anaesthetic;
sedative
3,5-diiodothyronine, (l)-isomer[no description available]medium10phenylalanine derivative
harmol hydrochloride[no description available]medium10
diosgenin[no description available]medium103beta-sterol;
hexacyclic triterpenoid;
sapogenin;
spiroketal		antineoplastic agent;
antiviral agent;
apoptosis inducer;
metabolite
sarsasapogenin, (3beta,5alpha,25r)-isomer[no description available]medium10sapogeningout suppressant;
plant metabolite
3 alpha,17 alpha-dihydroxy-5 beta-pregnan-20-one[no description available]medium1017alpha-hydroxy steroid;
20-oxo steroid;
3alpha-hydroxy steroid;
C21-steroid;
corticosteroid hormone		human urinary metabolite
2-methoxyestriol[no description available]medium10
2-hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine[no description available]medium10hydroxylamine;
imidazopyridine		carcinogenic agent;
genotoxin;
human xenobiotic metabolite;
mouse metabolite;
mutagen;
neurotoxin;
rat metabolite
ecopipam[no description available]medium10benzazepine
ibuprofen, (r)-isomer[no description available]medium10ibuprofen
11-hydroxytestosterone[no description available]medium1011beta-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
androstanoid;
C19-steroid		bacterial xenobiotic metabolite;
human xenobiotic metabolite;
marine metabolite
norbuprenorphine[no description available]medium10phenanthrenes
benzo(a)pyrene-3,6-quinol[no description available]medium10
naproxen[no description available]medium70methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
cortolone[no description available]medium1021-hydroxy steroid
carbocysteine[no description available]medium10L-cysteine thioether;
non-proteinogenic L-alpha-amino acid		mucolytic
cholic acid[no description available]high3321912alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
bile acid;
C24-steroid;
trihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
cholic acid[no description available]high332012alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
bile acid;
C24-steroid;
trihydroxy-5beta-cholanic acid		human metabolite;
mouse metabolite
5 alpha-androstane-3 beta,17 beta-diol[no description available]medium1017beta-hydroxy steroid;
3beta-hydroxy steroid;
androstane-3,17-diol		Daphnia magna metabolite;
human metabolite
cortol[no description available]medium1021-hydroxy steroid
21-hydroxypregnenolone[no description available]medium1021-hydroxy steroid;
hydroxypregnenolone;
primary alpha-hydroxy ketone		mouse metabolite
2-hydroxyestradiol[no description available]medium1017beta-hydroxy steroid;
2-hydroxy steroid		carcinogenic agent;
human metabolite;
metabolite;
mouse metabolite;
prodrug
epietiocholanolone[no description available]medium2017-oxo steroid;
3beta-hydroxy steroid;
androstanoid		androgen;
animal metabolite;
human blood serum metabolite;
mouse metabolite;
rat metabolite
naringenin[no description available]medium20(2S)-flavan-4-one;
naringenin		expectorant;
plant metabolite
2-hydroxyestrone[no description available]medium102-hydroxy steroid;
catechols		human metabolite
epiandrosterone[no description available]medium2017-oxo steroid;
3beta-hydroxy steroid;
androstanoid		androgen;
human metabolite
naringin[no description available]medium10(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
neohesperidoside		anti-inflammatory agent;
antineoplastic agent;
metabolite
1-alpha-terpineol[no description available]medium10alpha-terpineolplant metabolite
diprenorphine[no description available]medium10morphinane alkaloid
ergosterol[no description available]medium103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
ergostanoid;
phytosterols		fungal metabolite;
Saccharomyces cerevisiae metabolite
tretinoin[no description available]high170retinoic 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
retinol[no description available]high80retinol;
vitamin A		human metabolite;
mouse metabolite;
plant metabolite
ferulic acid[no description available]medium10ferulic acidsanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite
mycophenolic acid[no description available]medium502-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
diethylstilbestrol[no description available]medium30olefinic 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
geraniol[no description available]medium103,7-dimethylocta-2,6-dien-1-ol;
monoterpenoid;
primary alcohol		allergen;
fragrance;
plant metabolite;
volatile oil component
dienestrol[no description available]medium10
captax[no description available]medium10aryl thiol;
benzothiazoles		carcinogenic agent;
metabolite
thiothixene[no description available]medium50N-methylpiperazineanticoronaviral agent
chlorogenic acid[no description available]medium30cinnamate ester;
tannin		food component;
plant metabolite
sch 23390[no description available]medium10benzazepine
digitoxigenin[no description available]medium1014beta-hydroxy steroid;
3beta-hydroxy steroid
quercetin[no description available]medium207-hydroxyflavonol;
pentahydroxyflavone		antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger
apigenin[no description available]medium20trihydroxyflavoneantineoplastic agent;
metabolite
scopoletin[no description available]medium10hydroxycoumarinplant growth regulator;
plant metabolite
hymecromone[no description available]medium20hydroxycoumarinantineoplastic agent;
hyaluronic acid synthesis inhibitor
vitamin d 2[no description available]medium40hydroxy seco-steroid;
seco-ergostane;
vitamin D		bone density conservation agent;
nutraceutical;
plant metabolite;
rodenticide
cholecalciferol[no description available]high50D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone		geroprotector;
human metabolite
esculetin[no description available]medium10hydroxycoumarinantioxidant;
plant metabolite;
ultraviolet filter
7-hydroxycoumarin[no description available]medium10hydroxycoumarinfluorescent probe;
food component;
plant metabolite
baicalein[no description available]medium10trihydroxyflavoneangiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger
chrysin[no description available]medium207-hydroxyflavonol;
dihydroxyflavone		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite
fisetin[no description available]medium103'-hydroxyflavonoid;
7-hydroxyflavonol;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
metabolite;
plant metabolite
galangin[no description available]medium107-hydroxyflavonol;
trihydroxyflavone		antimicrobial agent;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
plant metabolite
4-hydroxyestradiol[no description available]medium104-hydroxy steroidmetabolite
isotretinoin[no description available]medium70retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent
hyodeoxycholic acid[no description available]high2705beta-cholanic acids;
6alpha,20xi-murideoxycholic acid;
bile acid;
C24-steroid		human metabolite;
mouse metabolite
codeine[no description available]medium40morphinane alkaloid;
organic heteropentacyclic compound		antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic
hydromorphone[no description available]medium30morphinane alkaloid;
organic heteropentacyclic compound		mu-opioid receptor agonist;
opioid analgesic
nalmefene[no description available]medium40morphinane alkaloid
nalorphine[no description available]medium20morphinane alkaloid
naloxone[no description available]medium30morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol		antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
oxycodone[no description available]medium20organic heteropentacyclic compound;
semisynthetic derivative		antitussive;
mu-opioid receptor agonist;
opioid analgesic
oxymorphone[no description available]medium30morphinane alkaloid
6alpha-hydroxy-17beta-estradiol[no description available]medium106alpha-hydroxy steroid
morphine[no description available]medium100morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
nalbuphine[no description available]medium30organic heteropentacyclic compoundmu-opioid receptor antagonist;
opioid analgesic
cinnamyl alcohol[no description available]medium10cinnamyl alcoholplant metabolite
levorphanol[no description available]medium20morphinane alkaloid
naltrexone[no description available]medium60cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound		antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic
normorphine[no description available]medium10morphinane alkaloid
naltrindole benzofuran[no description available]medium10morphinane alkaloid
naltrindole[no description available]medium10isoquinolines
19-hydroxycholesterol[no description available]medium10cholestanoid
borneol[no description available]medium10borneol
norcodeine[no description available]medium10morphinane alkaloid
4-hydroxyestrone[no description available]medium1017-oxo steroid;
3-hydroxy steroid;
4-hydroxy steroid;
catechols;
phenolic steroid		carcinogenic agent;
estrogen;
human urinary metabolite
11 beta-hydroxyandrosterone[no description available]medium103-hydroxy steroidandrogen
2-hydroxyestriol[no description available]medium10
novobiocin[no description available]medium60carbamate ester;
ether;
hexoside;
hydroxycoumarin;
monocarboxylic acid amide;
monosaccharide derivative;
phenols		antibacterial agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Escherichia coli metabolite;
hepatoprotective agent
tetracycline[no description available]medium70
4-hydroxycoumarin[no description available]medium10hydroxycoumarin
rifampin[no description available]medium180cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion		angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor
rifampin[no description available]medium181cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion		angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor
clozapine[no description available]medium60benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound		adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic
norclozapine[no description available]medium10dibenzodiazepine;
organochlorine compound;
piperazines		delta-opioid receptor agonist;
metabolite;
serotonergic antagonist
gw 4064[no description available]medium610stilbenoid
pregnenolone carbonitrile[no description available]medium50aliphatic nitrile
hyperforin[no description available]medium10
obeticholic acid[no description available]medium33603alpha-hydroxy steroid;
7alpha-hydroxy steroid;
dihydroxy-5beta-cholanic acid		farnesoid X receptor agonist;
hepatoprotective agent
obeticholic acid[no description available]medium336273alpha-hydroxy steroid;
7alpha-hydroxy steroid;
dihydroxy-5beta-cholanic acid		farnesoid X receptor agonist;
hepatoprotective agent
norcholate[no description available]medium30bile acid
bupropion[no description available]medium40aromatic ketone;
monochlorobenzenes;
secondary amino compound		antidepressant;
environmental contaminant;
xenobiotic
aminocaproic acid[no description available]medium50amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid		antifibrinolytic drug;
hematologic agent;
metabolite
phenytoin[no description available]medium60imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
tacrine[no description available]medium30acridines;
aromatic amine		EC 3.1.1.7 (acetylcholinesterase) inhibitor
acebutolol[no description available]medium30aromatic amide;
ethanolamines;
ether;
monocarboxylic acid amide;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympathomimetic agent
acetohydroxamic acid[no description available]medium30acetohydroxamic acids;
carbohydroximic acid		algal metabolite;
EC 3.5.1.5 (urease) inhibitor
albuterol[no description available]medium40phenols;
phenylethanolamines;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
environmental contaminant;
xenobiotic
alendronate[no description available]medium201,1-bis(phosphonic acid);
primary amino compound		bone density conservation agent;
EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor
alprazolam[no description available]medium20organochlorine compound;
triazolobenzodiazepine		anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic
altretamine[no description available]medium20triamino-1,3,5-triazine
amantadine[no description available]medium40adamantanes;
primary aliphatic amine		analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic
amifostine anhydrous[no description available]medium20diamine;
organic thiophosphate		antioxidant;
prodrug;
radiation protective agent
aminoglutethimide[no description available]medium40dicarboximide;
piperidones;
substituted aniline		adrenergic agent;
anticonvulsant;
antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
theophylline[no description available]medium110dimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent
amiodarone[no description available]medium601-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound		cardiovascular drug
amlexanox[no description available]medium10monocarboxylic acid;
pyridochromene		anti-allergic agent;
anti-ulcer drug;
non-steroidal anti-inflammatory drug
amlodipine[no description available]medium30dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound		antihypertensive agent;
calcium channel blocker;
vasodilator agent
amoxapine[no description available]medium40dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor
anastrozole[no description available]medium30nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
apraclonidine[no description available]medium10dichlorobenzene;
guanidines;
imidazolines		alpha-adrenergic agonist;
antiglaucoma drug;
beta-adrenergic agonist;
diagnostic agent;
ophthalmology drug
astemizole[no description available]medium40benzimidazoles;
piperidines		anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist
atenolol[no description available]medium60ethanolamines;
monocarboxylic acid amide;
propanolamine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic
azathioprine[no description available]medium70aryl sulfide;
C-nitro compound;
imidazoles;
thiopurine		antimetabolite;
antineoplastic agent;
carcinogenic agent;
DNA synthesis inhibitor;
hepatotoxic agent;
immunosuppressive agent;
prodrug
azelaic acid[no description available]medium10alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		antibacterial agent;
antineoplastic agent;
dermatologic drug;
plant metabolite
azelastine[no description available]medium10monochlorobenzenes;
phthalazines;
tertiary amino compound		anti-allergic agent;
anti-asthmatic drug;
bronchodilator agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
H1-receptor antagonist;
platelet aggregation inhibitor
baclofen[no description available]medium30amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound		central nervous system depressant;
GABA agonist;
muscle relaxant
bepridil[no description available]medium10pyrrolidines;
tertiary amine		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
betaxolol[no description available]medium20propanolamineantihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
bicalutamide[no description available]medium60(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol
bisoprolol[no description available]medium30secondary alcohol;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
brimonidine[no description available]medium10imidazoles;
quinoxaline derivative;
secondary amine		adrenergic agonist;
alpha-adrenergic agonist;
antihypertensive agent
buspirone[no description available]medium60azaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines		anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
busulfan[no description available]medium50methanesulfonate esteralkylating agent;
antineoplastic agent;
carcinogenic agent;
insect sterilant;
teratogenic agent
butenafine[no description available]medium10naphthalenes;
tertiary amine		antifungal drug;
EC 1.14.13.132 (squalene monooxygenase) inhibitor
verapamil[no description available]medium70aromatic ether;
nitrile;
polyether;
tertiary amino compound
carmustine[no description available]medium20N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
carteolol[no description available]medium10quinolone;
secondary alcohol		anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
carvedilol[no description available]medium40carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
cetirizine[no description available]medium30ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines		anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic
chlormezanone[no description available]medium301,3-thiazine;
lactam;
monochlorobenzenes;
sulfone		antipsychotic agent;
anxiolytic drug;
muscle relaxant
ciclopirox[no description available]medium30cyclic hydroxamic acid;
hydroxypyridone antifungal drug;
pyridone		antibacterial agent;
antiseborrheic
cinoxacin[no description available]medium20cinnolines;
oxacycle;
oxo carboxylic acid		antibacterial drug;
antiinfective agent
ciprofloxacin[no description available]medium30aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion		antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic
cisapride[no description available]medium50benzamides
cisapride[no description available]medium51benzamides
clofazimine[no description available]medium30monochlorobenzenes;
phenazines		dye;
leprostatic drug;
non-steroidal anti-inflammatory drug
clomipramine[no description available]medium40dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
clonidine[no description available]medium30clonidine;
imidazoline
chlorazepate[no description available]medium201,4-benzodiazepinoneanticonvulsant;
anxiolytic drug;
GABA modulator;
prodrug
cyclobenzaprine[no description available]medium20carbotricyclic compoundantidepressant;
muscle relaxant;
tranquilizing drug
diazepam[no description available]medium501,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
diclofenac[no description available]medium70amino 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
dipivefrin[no description available]medium10ethanolamines;
pivalate ester		adrenergic agonist;
antiglaucoma drug;
ophthalmology drug;
prodrug;
sympathomimetic agent
disopyramide[no description available]medium30monocarboxylic acid amide;
pyridines;
tertiary amino compound		anti-arrhythmia drug
disulfiram[no description available]medium40organic 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
doxazosin[no description available]medium20aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines		alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent
droperidol[no description available]medium30aromatic ketone;
benzimidazoles;
organofluorine compound		anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
econazole[no description available]medium30dichlorobenzene;
ether;
imidazoles;
monochlorobenzenes
enflurane[no description available]medium20ether;
organochlorine compound;
organofluorine compound		anaesthetic
enoxacin[no description available]medium201,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor
estazolam[no description available]medium30triazoles;
triazolobenzodiazepine		anticonvulsant;
anxiolytic drug;
GABA modulator
etidronate[no description available]medium201,1-bis(phosphonic acid)antineoplastic agent;
bone density conservation agent;
chelator
etodolac[no description available]medium30monocarboxylic acid;
organic heterotricyclic compound		antipyretic;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
brl 42810[no description available]medium302-aminopurines;
acetate ester		antiviral drug;
prodrug
felbamate[no description available]medium50carbamate esteranticonvulsant;
neuroprotective agent
felodipine[no description available]medium40dichlorobenzene;
dihydropyridine;
ethyl ester;
methyl ester		anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
fenfluramine[no description available]medium10(trifluoromethyl)benzenes;
secondary amino compound		appetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
fentanyl[no description available]medium20anilide;
monocarboxylic acid amide;
piperidines		adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
fexofenadine[no description available]medium50piperidines;
tertiary amine		anti-allergic agent;
H1-receptor antagonist
flecainide[no description available]medium30aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines		anti-arrhythmia drug
fluconazole[no description available]medium50conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug		environmental contaminant;
P450 inhibitor;
xenobiotic
flucytosine[no description available]medium50aminopyrimidine;
nucleoside analogue;
organofluorine compound;
pyrimidine antifungal drug;
pyrimidone		prodrug
flumazenil[no description available]medium60ethyl ester;
imidazobenzodiazepine;
organofluorine compound		antidote to benzodiazepine poisoning;
GABA antagonist
fluorouracil[no description available]medium70nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
fluoxetine[no description available]medium50(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
fluphenazine depot[no description available]medium10decanoate ester;
N-alkylpiperazine;
organofluorine compound;
phenothiazines		dopaminergic antagonist;
phenothiazine antipsychotic drug;
prodrug
fluphenazine enanthate[no description available]medium10phenothiazines
flurbiprofen[no description available]medium70fluorobiphenyl;
monocarboxylic acid		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
flutamide[no description available]medium80(trifluoromethyl)benzenes;
monocarboxylic acid amide		androgen antagonist;
antineoplastic agent
foscarnet[no description available]medium40carboxylic acid;
one-carbon compound;
phosphonic acids		antiviral drug;
geroprotector;
HIV-1 reverse transcriptase inhibitor;
sodium-dependent Pi-transporter inhibitor
gabapentin[no description available]medium50gamma-amino acidanticonvulsant;
calcium channel blocker;
environmental contaminant;
xenobiotic
gemfibrozil[no description available]medium50aromatic etherantilipemic drug
glimepiride[no description available]medium60sulfonamide
glipizide[no description available]medium30aromatic amide;
monocarboxylic acid amide;
N-sulfonylurea;
pyrazines		EC 2.7.1.33 (pantothenate kinase) inhibitor;
hypoglycemic agent;
insulin secretagogue
glyburide[no description available]medium60monochlorobenzenes;
N-sulfonylurea		anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent
granisetron[no description available]medium20aromatic amide;
indazoles
guanfacine[no description available]medium20acetamides
haloperidol[no description available]medium40aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
halothane[no description available]medium20haloalkane;
organobromine compound;
organochlorine compound;
organofluorine compound		inhalation anaesthetic
hydrochlorothiazide[no description available]medium70benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
hydroxyurea[no description available]medium50one-carbon compound;
ureas		antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent
hydroxyzine[no description available]medium30hydroxyether;
monochlorobenzenes;
N-alkylpiperazine		anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist
phenelzine[no description available]medium50primary amine
ifosfamide[no description available]medium50ifosfamidesalkylating agent;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
xenobiotic
amrinone[no description available]medium50bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indapamide[no description available]medium30indoles;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic
iodixanol[no description available]medium10organoiodine compoundradioopaque medium
iohexol[no description available]medium20benzenedicarboxamide;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic
iopromide[no description available]medium10dicarboxylic acid diamide;
organoiodine compound		environmental contaminant;
nephrotoxic agent;
radioopaque medium;
xenobiotic
ioversol[no description available]medium20amidobenzoic acid
isoflurane[no description available]medium20organofluorine compoundinhalation anaesthetic
isoniazid[no description available]medium60carbohydrazideantitubercular agent;
drug allergen
isradipine[no description available]medium40benzoxadiazole;
dihydropyridine;
isopropyl ester;
methyl ester
itraconazole[no description available]medium30piperazines
ketoconazole[no description available]medium80dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
ketorolac[no description available]medium20amino acid;
aromatic ketone;
monocarboxylic acid;
pyrrolizines;
racemate		analgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
lansoprazole[no description available]medium40benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
lomefloxacin[no description available]medium20fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antimicrobial agent;
antitubercular agent;
photosensitizing agent
loratadine[no description available]medium30benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
maprotiline[no description available]medium50anthracenes
mebendazole[no description available]medium50aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator
meclofenamic acid[no description available]medium30aminobenzoic acid;
organochlorine compound;
secondary amino compound		analgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
mefenamic acid[no description available]medium70aminobenzoic acid;
secondary amino compound		analgesic;
antipyretic;
antirheumatic drug;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
mefloquine hydrochloride[no description available]medium10organofluorine compound;
piperidines;
quinolines;
secondary alcohol
metformin[no description available]medium100guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
metformin[no description available]medium102guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
metoclopramide[no description available]medium30benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound		antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic
metoprolol[no description available]medium40aromatic ether;
propanolamine;
secondary alcohol;
secondary amino compound		antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
geroprotector;
xenobiotic
metronidazole[no description available]medium50C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
midazolam[no description available]medium60imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound		anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative
midazolam[no description available]medium61imidazobenzodiazepine;
monofluorobenzenes;
organochlorine compound		anticonvulsant;
antineoplastic agent;
anxiolytic drug;
apoptosis inducer;
central nervous system depressant;
GABAA receptor agonist;
general anaesthetic;
muscle relaxant;
sedative
midodrine[no description available]medium20amino acid amide;
aromatic ether;
secondary alcohol		alpha-adrenergic agonist;
prodrug;
sympathomimetic agent;
vasoconstrictor agent
minoxidil[no description available]medium30dialkylarylamine;
tertiary amino compound
mirtazapine[no description available]medium30benzazepine;
tetracyclic antidepressant		alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
oneirogen;
serotonergic antagonist
nabumetone[no description available]medium30methoxynaphthalene;
methyl ketone		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
nefazodone[no description available]medium60aromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles		alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor
nevirapine[no description available]medium40cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor
nicardipine[no description available]medium40benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound
nifedipine[no description available]medium60C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
nilutamide[no description available]medium30(trifluoromethyl)benzenes;
C-nitro compound;
imidazolidinone		androgen antagonist;
antineoplastic agent
nimodipine[no description available]medium602-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester		antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
nisoldipine[no description available]medium60C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester
nizatidine[no description available]medium401,3-thiazoles;
C-nitro compound;
carboxamidine;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
cholinergic drug;
H2-receptor antagonist
masoprocol[no description available]medium20catechols;
lignan;
tetrol		antioxidant;
ferroptosis inhibitor;
geroprotector;
plant metabolite
norfloxacin[no description available]medium40fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic
ofloxacin[no description available]medium303-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline
omeprazole[no description available]medium60aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
ondansetron[no description available]medium30carbazoles
oxaprozin[no description available]medium501,3-oxazoles;
monocarboxylic acid		analgesic;
non-steroidal anti-inflammatory drug
pamidronate[no description available]medium40phosphonoacetic acid
pemoline[no description available]medium501,3-oxazolescentral nervous system stimulant
pentamidine[no description available]medium30aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic
pentoxifylline[no description available]medium60oxopurine
perphenazine[no description available]medium30N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
pindolol[no description available]medium40indoles;
secondary amine		antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent
pirbuterol[no description available]medium10pyridines
prazepam[no description available]medium10benzodiazepine
praziquantel[no description available]medium50isoquinolines
prazosin[no description available]medium40aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
primidone[no description available]medium50pyrimidoneanticonvulsant;
environmental contaminant;
xenobiotic
procainamide[no description available]medium30benzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker
procarbazine[no description available]medium30benzamides;
hydrazines		antineoplastic agent
propafenone[no description available]medium30aromatic ketone;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug
sch 16134[no description available]medium20benzodiazepine
ranitidine[no description available]medium50aralkylamine
riluzole[no description available]medium60benzothiazoles
rimantadine[no description available]medium20alkylamine
risperidone[no description available]medium501,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine		alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
psychotropic drug;
second generation antipsychotic;
serotonergic antagonist
salmeterol xinafoate[no description available]medium10ether;
phenols;
primary alcohol;
secondary alcohol;
secondary amino compound
sevoflurane[no description available]medium20ether;
organofluorine compound		central nervous system depressant;
inhalation anaesthetic;
platelet aggregation inhibitor
sulfadiazine[no description available]medium40pyrimidines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
antimicrobial agent;
antiprotozoal drug;
coccidiostat;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
xenobiotic
sotalol[no description available]medium40ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide		anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic
sulconazole[no description available]medium10dichlorobenzene;
imidazoles;
monochlorobenzenes;
organic sulfide
sulfasalazine[no description available]medium80
sulfasalazine[no description available]medium81
sumatriptan[no description available]medium40sulfonamide;
tryptamines		serotonergic agonist;
vasoconstrictor agent
tazarotene[no description available]medium10acetylenic compound;
ethyl ester;
pyridines;
retinoid;
thiochromane		keratolytic drug;
prodrug;
teratogenic agent
terazosin[no description available]medium30furans;
piperazines;
primary amino compound;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
thioridazine[no description available]medium40phenothiazines;
piperidines		alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
thiotepa[no description available]medium20aziridines
ticlopidine[no description available]medium50monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
tioconazole[no description available]medium10dichlorobenzene;
ether;
imidazoles;
thiophenes
tiopronin[no description available]medium30N-acyl-amino acid
tizanidine[no description available]medium30benzothiadiazole;
imidazoles		alpha-adrenergic agonist;
muscle relaxant
ultram[no description available]medium40aromatic ether;
tertiary alcohol;
tertiary amino compound
trazodone[no description available]medium40monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine		adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
triazolam[no description available]medium20triazolobenzodiazepinesedative
trientine[no description available]medium10polyazaalkane;
tetramine		copper chelator
trimethadione[no description available]medium50oxazolidinoneanticonvulsant;
geroprotector
trimetrexate[no description available]medium20
trimipramine[no description available]medium20dibenzoazepine;
tertiary amino compound		antidepressant;
environmental contaminant;
xenobiotic
venlafaxine[no description available]medium30cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound		adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic
ici 204,219[no description available]medium70carbamate ester;
indoles;
N-sulfonylcarboxamide		anti-asthmatic agent;
leukotriene antagonist
zolpidem[no description available]medium60imidazopyridinecentral nervous system depressant;
GABA agonist;
sedative
floxuridine[no description available]medium50nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent
spironolactone[no description available]medium703-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester		aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
penicillamine[no description available]medium40non-proteinogenic alpha-amino acid;
penicillamine		antirheumatic drug;
chelator;
copper chelator;
drug allergen
pilocarpine[no description available]medium50pilocarpineantiglaucoma drug
vincristine[no description available]medium40acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
testosterone propionate[no description available]medium20steroid ester
bretylium tosylate[no description available]medium10organosulfonate salt;
quaternary ammonium salt		adrenergic antagonist;
anti-arrhythmia drug;
antihypertensive agent
cytarabine[no description available]medium30beta-D-arabinoside;
monosaccharide derivative;
pyrimidine nucleoside		antimetabolite;
antineoplastic agent;
antiviral agent;
immunosuppressive agent
trifluridine[no description available]medium10nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor
medroxyprogesterone acetate[no description available]medium4020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester		adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive
mestranol[no description available]medium5017beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound		prodrug;
xenoestrogen
methylprednisolone[no description available]medium306-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic
estradiol dipropionate[no description available]medium10steroid ester
nafcillin[no description available]medium20penicillin allergen;
penicillin		antibacterial drug
methohexital[no description available]medium20acetylenic compound;
barbiturates		drug allergen;
intravenous anaesthetic
estradiol 17 beta-cypionate[no description available]medium10steroid ester
testosterone enanthate[no description available]medium20heptanoate ester;
sterol ester		androgen
betamethasone[no description available]medium5011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent
podophyllotoxin[no description available]medium30furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
levocarnitine[no description available]medium20carnitineantilipemic drug;
nootropic agent;
nutraceutical;
Saccharomyces cerevisiae metabolite;
water-soluble vitamin (role)
megestrol acetate[no description available]medium2020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
acetylcysteine[no description available]high90acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid		antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary
erythromycin[no description available]medium60cyclic ketone;
erythromycin
levonorgestrel[no description available]medium2017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound		contraceptive drug;
female contraceptive drug;
progestin;
synthetic oral contraceptive
estradiol valerate[no description available]medium20steroid ester
ethambutol[no description available]medium20ethanolamines;
ethylenediamine derivative		antitubercular agent;
environmental contaminant;
xenobiotic
dronabinol[no description available]medium30benzochromene;
diterpenoid;
phytocannabinoid;
polyketide		cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic
pimozide[no description available]medium50benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
betamethasone valerate[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
primary alpha-hydroxy ketone;
steroid ester		anti-inflammatory drug
methylprednisolone hemisuccinate[no description available]medium10corticosteroid hormone;
hemisuccinate
stavudine[no description available]medium50dihydrofuran;
nucleoside analogue;
organic molecular entity		antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
cyclacillin[no description available]medium10penicillinantibacterial drug
tranylcypromine[no description available]medium102-phenylcyclopropan-1-amine
cladribine[no description available]medium50organochlorine compound;
purine 2'-deoxyribonucleoside		antineoplastic agent;
immunosuppressive agent
beclomethasone[no description available]medium2011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic drug;
anti-inflammatory drug
estradiol enanthate[no description available]medium10steroid ester
betamethasone-17,21-dipropionate[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
propanoate ester;
steroid ester		antipsoriatic
olsalazine[no description available]medium20azobenzenes;
dicarboxylic acid		non-steroidal anti-inflammatory drug;
prodrug
zalcitabine[no description available]medium40pyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
selegiline[no description available]medium30selegiline;
terminal acetylenic compound		geroprotector
levamisole[no description available]medium306-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazoleantinematodal drug;
antirheumatic drug;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
immunological adjuvant;
immunomodulator
cephalexin[no description available]medium20beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative		antibacterial drug
isosorbide-5-mononitrate[no description available]medium20glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
danazol[no description available]medium6017beta-hydroxy steroid;
terminal acetylenic compound		anti-estrogen;
estrogen antagonist;
geroprotector
cephapirin[no description available]medium10cephalosporinantibacterial drug
bromocriptine[no description available]medium30indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist
metipranolol[no description available]medium10acetate ester;
aromatic ether;
propanolamine;
secondary amino compound		anti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
halazepam[no description available]medium10organic molecular entity
du-21220[no description available]medium20benzyl alcohols;
polyphenol;
secondary alcohol;
secondary amino compound
cefazolin[no description available]medium30beta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles		antibacterial drug
amoxicillin[no description available]medium50penicillin allergen;
penicillin		antibacterial drug
timolol[no description available]medium40timololanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
moricizine[no description available]medium20carbamate ester;
morpholines;
phenothiazines		anti-arrhythmia drug
bitolterol[no description available]medium10carboxylic ester;
diester;
ethanolamines;
secondary alcohol;
secondary amino compound		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
prodrug
tobramycin[no description available]medium40amino cyclitol glycosideantibacterial agent;
antimicrobial agent;
toxin
paclitaxel[no description available]high80taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
etoposide[no description available]medium60beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
dobutamine[no description available]medium50catecholamine;
secondary amine		beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent
penbutolol[no description available]medium20ethanolamines
ribavirin[no description available]medium501-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide		anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
guanadrel[no description available]medium10guanidines;
spiroketal		adrenergic antagonist;
antihypertensive agent
methyldopa[no description available]medium50L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent
tocainide[no description available]medium10monocarboxylic acid amideanti-arrhythmia drug;
local anaesthetic;
sodium channel blocker
sq-11725[no description available]medium40
diltiazem[no description available]medium405-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetateantihypertensive agent;
calcium channel blocker;
vasodilator agent
levobunolol[no description available]medium10aromatic ether;
cyclic ketone;
propanolamine		antiglaucoma drug;
beta-adrenergic antagonist
vecuronium bromide[no description available]medium20organic bromide salt;
quaternary ammonium salt		muscle relaxant;
neuromuscular agent;
nicotinic antagonist
permethrin[no description available]medium40cyclopropanecarboxylate ester;
cyclopropanes		agrochemical;
ectoparasiticide;
pyrethroid ester acaricide;
pyrethroid ester insecticide;
scabicide
sufentanil[no description available]medium20anilide;
ether;
piperidines;
thiophenes		anaesthesia adjuvant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
torsemide[no description available]medium20aminopyridine;
N-sulfonylurea;
secondary amino compound		antihypertensive agent;
loop diuretic
cefmetazole[no description available]medium10cephalosporinantibacterial drug
desflurane[no description available]medium20organofluorine compoundinhalation anaesthetic
idarubicin[no description available]medium20anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative
cefonicid[no description available]medium10cephalosporinantibacterial drug
piperacillin[no description available]medium30penicillin allergen;
penicillin		antibacterial drug
paroxetine[no description available]medium50aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines		antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
captopril[no description available]medium60alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
cefoperazone[no description available]medium30cephalosporinantibacterial drug
lodoxamide[no description available]medium10organonitrogen compound;
organooxygen compound
atracurium[no description available]medium20diester;
quaternary ammonium ion		muscle relaxant;
nicotinic antagonist
butoconazole[no description available]medium10aryl sulfide;
conazole antifungal drug;
dichlorobenzene;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes
naftifine[no description available]medium10allylamine antifungal drug;
naphthalenes;
tertiary amine		EC 1.14.13.132 (squalene monooxygenase) inhibitor;
sterol biosynthesis inhibitor
pergolide[no description available]medium20diamine;
methyl sulfide;
organic heterotetracyclic compound		antiparkinson drug;
dopamine agonist
cefadroxil anhydrous[no description available]medium60cephalosporinantibacterial drug
encainide[no description available]medium20benzamides;
piperidines		anti-arrhythmia drug;
sodium channel blocker
nedocromil[no description available]medium10dicarboxylic acid;
organic heterotricyclic compound		anti-allergic agent;
anti-asthmatic drug;
non-steroidal anti-inflammatory drug
cefaclor anhydrous[no description available]medium30cephalosporinantibacterial drug;
drug allergen
alfentanil[no description available]medium20monocarboxylic acid amide;
piperidines		central nervous system depressant;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
peripheral nervous system drug
cefotetan[no description available]medium50
lovastatin[no description available]medium170delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
lovastatin[no description available]medium173delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
levocabastine[no description available]medium10piperidines
simvastatin[no description available]medium180delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic)		EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug
simvastatin[no description available]medium181delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
statin (semi-synthetic)		EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
ferroptosis inducer;
geroprotector;
prodrug
pravastatin[no description available]medium1103-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)		anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic
pravastatin[no description available]medium1113-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)		anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic
cabergoline[no description available]medium20N-acylureaantineoplastic agent;
antiparkinson drug;
dopamine agonist
quinapril[no description available]medium50dicarboxylic acid monoester;
ethyl ester;
isoquinolines;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
fosphenytoin[no description available]medium20imidazolidine-2,4-dione
finasteride[no description available]medium303-oxo steroid;
aza-steroid;
delta-lactam		androgen antagonist;
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
esmolol[no description available]medium20aromatic ether;
ethanolamines;
methyl ester;
secondary alcohol;
secondary amino compound
adapalene[no description available]medium10adamantanes;
monocarboxylic acid;
naphthoic acid		dermatologic drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
non-steroidal anti-inflammatory drug
sparfloxacin[no description available]medium30fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone
zileuton[no description available]medium501-benzothiophenes;
ureas		anti-asthmatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
ferroptosis inhibitor;
leukotriene antagonist;
non-steroidal anti-inflammatory drug
cidofovir anhydrous[no description available]medium30phosphonic acids;
pyrimidone		anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent
topotecan[no description available]medium20pyranoindolizinoquinolineantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
gemcitabine[no description available]medium20organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic
ibutilide[no description available]medium20benzenes;
organic amino compound
remifentanil[no description available]medium20alpha-amino acid ester;
anilide;
monocarboxylic acid amide;
piperidinecarboxylate ester		intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic;
sedative
atorvastatin[no description available]medium80aromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic)		environmental contaminant;
xenobiotic
atorvastatin[no description available]medium81aromatic amide;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrroles;
statin (synthetic)		environmental contaminant;
xenobiotic
lamivudine[no description available]medium50monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol		allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug
irinotecan[no description available]medium50carbamate ester;
delta-lactone;
N-acylpiperidine;
pyranoindolizinoquinoline;
ring assembly;
tertiary alcohol;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
valsartan[no description available]medium60biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
adenosine[no description available]medium50adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
cefprozil[no description available]medium30cephalosporin;
semisynthetic derivative		antibacterial drug
methylprednisolone aceponate[no description available]medium10corticosteroid hormone
dexamethasone 17-valerate[no description available]medium1021-hydroxy steroid
dexamethasone dipropionate[no description available]medium10corticosteroid hormone
iopamidol[no description available]medium30benzenedicarboxamide;
organoiodine compound;
pentol		environmental contaminant;
radioopaque medium;
xenobiotic
dexfenfluramine[no description available]medium20fenfluramineappetite depressant;
serotonergic agonist;
serotonin uptake inhibitor
sertraline[no description available]medium50dichlorobenzene;
secondary amino compound;
tetralins		antidepressant;
serotonin uptake inhibitor
erythromycin propionate[no description available]medium10erythromycin derivative
dexrazoxane[no description available]medium30razoxaneantineoplastic agent;
cardiovascular drug;
chelator;
immunosuppressive agent
antebate[no description available]medium10corticosteroid hormone
atovaquone[no description available]medium20hydroxy-1,2-naphthoquinone
flunisolide[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
primary alpha-hydroxy ketone		anti-asthmatic drug;
anti-inflammatory drug;
immunosuppressive agent
clarithromycin[no description available]medium50macrolide antibioticantibacterial drug;
environmental contaminant;
protein synthesis inhibitor;
xenobiotic
nicotine[no description available]medium303-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic
moexipril[no description available]medium20peptide
methotrexate[no description available]medium90dicarboxylic acid;
monocarboxylic acid amide;
pteridines		abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent
docetaxel[no description available]medium20hydrate;
secondary alpha-hydroxy ketone		antineoplastic agent
levofloxacin[no description available]medium509-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid;
fluoroquinolone antibiotic;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
ropivacaine[no description available]medium10piperidinecarboxamide;
ropivacaine		local anaesthetic
estradiol 3-benzoate[no description available]medium1017beta-hydroxy steroid;
benzoate ester		estrogen receptor agonist;
xenoestrogen
estramustine[no description available]medium3017beta-hydroxy steroid;
carbamate ester;
organochlorine compound		alkylating agent;
antineoplastic agent;
radiation protective agent
ritonavir[no description available]medium701,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
pentostatin[no description available]medium20coformycinsantimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor
quinidine[no description available]medium70cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker
meropenem[no description available]medium30alpha,beta-unsaturated monocarboxylic acid;
carbapenemcarboxylic acid;
organic sulfide;
pyrrolidinecarboxamide		antibacterial agent;
antibacterial drug;
drug allergen
griseofulvin[no description available]medium801-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound		antibacterial agent;
Penicillium metabolite
cefoxitin[no description available]medium40beta-lactam antibiotic allergen;
cephalosporin;
cephamycin;
semisynthetic derivative		antibacterial drug
saquinavir[no description available]medium50L-asparagine derivative;
quinolines		antiviral drug;
HIV protease inhibitor
netilmicin[no description available]medium20
metyrosine[no description available]medium20L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		antihypertensive agent;
EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor
rocuronium bromide[no description available]medium10organic bromide salt;
quaternary ammonium salt		muscle relaxant;
neuromuscular agent
terconazole[no description available]medium101-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine
bacampicillin[no description available]medium10penicillanic acid esterprodrug
erythromycin ethylsuccinate[no description available]medium20cyclic ketone;
erythromycin derivative;
ethyl ester;
succinate ester
amcinonide[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
corticosteroid;
fluorinated steroid;
spiroketal		anti-inflammatory drug
betamethasone acetate[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
fluorinated steroid;
steroid ester;
tertiary alpha-hydroxy ketone
acarbose[no description available]medium20amino cyclitol;
glycoside
mupirocin[no description available]medium10alpha,beta-unsaturated carboxylic ester;
epoxide;
monocarboxylic acid;
oxanes;
secondary alcohol;
triol		antibacterial drug;
bacterial metabolite;
protein synthesis inhibitor
fosfomycin[no description available]medium30epoxide;
phosphonic acids		antimicrobial agent;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
zithromax[no description available]medium50macrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic
teniposide[no description available]medium30aromatic ether;
beta-D-glucoside;
cyclic acetal;
furonaphthodioxole;
gamma-lactone;
monosaccharide derivative;
phenols;
thiophenes		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
cefamandole[no description available]medium30cephalosporin;
semisynthetic derivative		antibacterial drug
dactinomycin[no description available]medium80actinomycinmutagen
melphalan[no description available]medium30L-phenylalanine derivative;
nitrogen mustard;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
sch 22219[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
glucocorticoid;
propanoate ester;
steroid ester		anti-inflammatory drug
mezlocillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
cholinophyllin[no description available]medium10
fludarabine[no description available]medium10purine nucleoside
propylthiouracil[no description available]medium40pyrimidinethioneantidote to paracetamol poisoning;
antimetabolite;
antioxidant;
antithyroid drug;
carcinogenic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
hormone antagonist
ipratropium bromide anhydrous[no description available]medium10
etomidate[no description available]medium30ethyl ester;
imidazoles		intravenous anaesthetic;
sedative
mercaptopurine[no description available]medium50aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent
benztropine[no description available]medium20diarylmethane
sulindac[no description available]medium60monocarboxylic 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
enclomiphene[no description available]medium10
terbinafine[no description available]medium30acetylenic compound;
allylamine antifungal drug;
enyne;
naphthalenes;
tertiary amine		EC 1.14.13.132 (squalene monooxygenase) inhibitor;
P450 inhibitor;
sterol biosynthesis inhibitor
thioguanine anhydrous[no description available]medium502-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent
succimer[no description available]medium20dicarboxylic acid;
dithiol;
sulfur-containing carboxylic acid		chelator
streptozocin[no description available]medium50
tamoxifen[no description available]medium80stilbenoid;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator
ethionamide[no description available]medium30pyridines;
thiocarboxamide		antilipemic drug;
antitubercular agent;
fatty acid synthesis inhibitor;
leprostatic drug;
prodrug
dezocine[no description available]medium10phenols;
primary amino compound		opioid analgesic
dapiprazole[no description available]medium10N-alkylpiperazine;
N-arylpiperazine;
pyridines		alpha-adrenergic antagonist;
antipsychotic agent;
miotic;
ophthalmology drug
flosequinan[no description available]medium20quinolines
calcitriol[no description available]high60D3 vitamins;
hydroxycalciol;
triol		antineoplastic agent;
antipsoriatic;
bone density conservation agent;
calcium channel agonist;
calcium channel modulator;
hormone;
human metabolite;
immunomodulator;
metabolite;
mouse metabolite;
nutraceutical
alprostadil[no description available]high50prostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent
amphotericin b[no description available]medium60antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic		antiamoebic agent;
antiprotozoal drug;
bacterial metabolite
pulmicort[no description available]medium18011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic acetal;
glucocorticoid;
primary alpha-hydroxy ketone		anti-inflammatory drug;
bronchodilator agent;
drug allergen
olopatadine[no description available]medium10
bw b1090u[no description available]medium10isoquinolines
7432 s[no description available]medium20cephalosporin;
dicarboxylic acid		antibacterial drug
etretinate[no description available]medium20enoate ester;
ethyl ester;
retinoid		keratolytic drug
misoprostol[no description available]medium20
epoprostenol[no description available]medium30prostaglandins Imouse metabolite
betamethasone benzoate[no description available]medium1021-hydroxy steroid
dorzolamide[no description available]medium10sulfonamide;
thiophenes		antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
ly 163892[no description available]medium40carbacephem;
zwitterion		antibacterial drug;
antimicrobial agent
topiramate[no description available]medium40cyclic ketal;
ketohexose derivative;
sulfamate ester		anticonvulsant;
sodium channel blocker
calcipotriene[no description available]medium10cyclopropanes;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
triol		antipsoriatic;
drug allergen
clobetasol[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone		anti-inflammatory drug;
SMO receptor agonist
fluticasone[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
3-oxo-Delta(4) steroid;
corticosteroid;
fluorinated steroid;
thioester		anti-allergic agent;
anti-asthmatic drug
halobetasol[no description available]medium10corticosteroid hormone
latanoprost[no description available]medium10isopropyl ester;
prostaglandins Falpha;
triol		antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
prodrug
rimexolone[no description available]medium1020-oxo steroid
vinorelbine[no description available]medium30acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent
fluvoxamine[no description available]medium50(trifluoromethyl)benzenes;
5-methoxyvalerophenone O-(2-aminoethyl)oxime		antidepressant;
anxiolytic drug;
serotonin uptake inhibitor
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid[no description available]medium50dihydroxy monocarboxylic acid;
indoles;
organofluorine compound
oxiconazole[no description available]medium10conazole antifungal drug;
dichlorobenzene;
imidazole antifungal drug;
imidazoles;
oxime O-ether		antiinfective agent
butorphanol[no description available]medium20morphinane alkaloidantitussive;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
cefixime[no description available]medium30cephalosporinantibacterial drug;
drug allergen
lisinopril[no description available]medium60dipeptideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
benazepril[no description available]medium40benzazepine;
dicarboxylic acid monoester;
ethyl ester;
lactam		EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
ramipril[no description available]medium30azabicycloalkane;
cyclopentapyrrole;
dicarboxylic acid monoester;
dipeptide;
ethyl ester		bradykinin receptor B2 agonist;
cardioprotective agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
matrix metalloproteinase inhibitor;
prodrug
indinavir sulfate[no description available]medium50dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide		HIV protease inhibitor
enalapril[no description available]medium30dicarboxylic acid monoester;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug
cefuroxime[no description available]medium203-(carbamoyloxymethyl)cephalosporin;
furans;
oxime O-ether		drug allergen
ceftriaxone[no description available]medium301,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor
cefepime[no description available]medium20cephalosporin;
oxime O-ether		antibacterial drug
ceftazidime[no description available]medium40cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
trandolapril[no description available]medium30dicarboxylic acid monoester;
dipeptide;
ethyl ester;
organic heterobicyclic compound;
secondary amino compound;
tertiary carboxamide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
guanabenz[no description available]medium10dichlorobenzene
famotidine[no description available]medium501,3-thiazoles;
guanidines;
sulfonamide		anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
cefotaxime[no description available]medium501,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen
aztreonam[no description available]medium50beta-lactam antibiotic allergen;
monobactam		antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
cci 15641[no description available]medium10cephalosporin
cefpodoxime[no description available]medium20carboxylic acid;
cephalosporin		antibacterial drug
dirithromycin[no description available]medium10macrolide antibioticprodrug
cefpodoxime proxetil[no description available]medium10carboxylic acid;
carboxylic ester;
cephalosporin		antibacterial drug;
prodrug
ceftizoxime[no description available]medium20cephalosporinantibacterial drug
nitrofurantoin[no description available]medium60imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent
dantrolene[no description available]medium20
fosinopril[no description available]medium30
nystatin a1[no description available]medium30nystatins
mesna[no description available]medium30organosulfonic acid
cefamandole nafate[no description available]medium10organic sodium saltantibacterial drug;
prodrug
minocycline[no description available]medium30
piroxicam[no description available]medium60benzothiazine;
monocarboxylic acid amide;
pyridines		analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
meclocycline[no description available]medium10
warfarin[no description available]medium70benzenes;
hydroxycoumarin;
methyl ketone
acyclovir[no description available]medium402-aminopurines;
oxopurine		antimetabolite;
antiviral drug
didanosine[no description available]medium50purine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor
ganciclovir[no description available]medium302-aminopurines;
oxopurine		antiinfective agent;
antiviral drug
valacyclovir[no description available]medium30L-valyl esterantiviral drug
olanzapine[no description available]medium30benzodiazepine;
N-arylpiperazine;
N-methylpiperazine		antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
serotonin uptake inhibitor
penciclovir[no description available]medium202-aminopurines;
propane-1,3-diols		antiviral drug
allopurinol[no description available]medium60nucleobase analogue;
organic heterobicyclic compound		antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
rifabutin[no description available]medium60
fenofibric acid[no description available]medium30aromatic ketone;
chlorobenzophenone;
monocarboxylic acid		drug metabolite;
marine xenobiotic metabolite
cyproterone acetate[no description available]medium4020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
chlorinated steroid;
steroid ester		androgen antagonist;
geroprotector;
progestin
t0901317[no description available]medium80
pregna-4,17-diene-3,16-dione, (17z)-isomer[no description available]medium30
colforsin[no description available]medium50acetate ester;
cyclic ketone;
labdane diterpenoid;
organic heterotricyclic compound;
tertiary alpha-hydroxy ketone;
triol		adenylate cyclase agonist;
anti-HIV agent;
antihypertensive agent;
plant metabolite;
platelet aggregation inhibitor;
protein kinase A agonist
dehydroepiandrosterone sulfate[no description available]medium2017-oxo steroid;
steroid sulfate		EC 2.7.1.33 (pantothenate kinase) inhibitor;
human metabolite;
mouse metabolite
cholanic acid[no description available]medium105beta-cholanic acids;
cholanic acid
5-alpha-dihydroprogesterone[no description available]medium1020-oxo steroid;
3-oxo-5alpha-steroid;
C21-steroid hormone		human metabolite;
progestogen
methyl lithocholate[no description available]medium20
taurohyodeoxycholic acid[no description available]medium20bile acid taurine conjugate
24-norursodeoxycholic acid[no description available]medium60
sulfolithocholic acid[no description available]medium60steroid sulfate
sulfolithocholic acid[no description available]medium61steroid sulfate
3-ketolithocholic acid[no description available]medium10oxo-5beta-cholanic acid
loa[no description available]medium30
carnitine[no description available]high30amino-acid betainehuman metabolite;
mouse metabolite
hoe 33342[no description available]medium10bibenzimidazole;
N-methylpiperazine		fluorochrome
p-aminohippuric acid[no description available]medium30N-acylglycineDaphnia magna metabolite
antipyrine[no description available]medium10pyrazoloneantipyretic;
cyclooxygenase 3 inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
benzbromarone[no description available]medium601-benzofurans;
aromatic ketone		uricosuric drug
celecoxib[no description available]medium40organofluorine compound;
pyrazoles;
sulfonamide;
toluenes		cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
chloroquine[no description available]medium30aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
chlorzoxazone[no description available]medium501,3-benzoxazoles;
heteroaryl hydroxy compound;
organochlorine compound		muscle relaxant;
sedative
cimetidine[no description available]medium90aliphatic sulfide;
guanidines;
imidazoles;
nitrile		adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
clotrimazole[no description available]medium60conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes		antiinfective agent;
environmental contaminant;
xenobiotic
dipyridamole[no description available]medium50piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
fendiline[no description available]medium10diarylmethane
fenofibrate[no description available]medium140aromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
gliclazide[no description available]medium100N-sulfonylureahypoglycemic agent;
insulin secretagogue;
radical scavenger
loperamide[no description available]medium40monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol		anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist
nitrendipine[no description available]medium30C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
nitrendipine[no description available]medium31C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
phenacetin[no description available]medium40acetamides;
aromatic ether		cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug
pramoxine[no description available]medium10aromatic ether;
morpholines		local anaesthetic
procyclidine[no description available]medium20pyrrolidines;
tertiary alcohol		antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist
ritanserin[no description available]medium10organofluorine compound;
piperidines;
thiazolopyrimidine		antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
sulfanitran[no description available]medium10sulfonamide
tinidazole[no description available]medium20imidazolesantiamoebic agent;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
trimethoprim[no description available]medium50aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
prednisolone[no description available]medium5011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic
prednisolone[no description available]medium5111beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic
reserpine[no description available]medium30alkaloid ester;
methyl ester;
yohimban alkaloid		adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic
penicillin g[no description available]medium40penicillin allergen;
penicillin		antibacterial drug;
drug allergen;
epitope
colchicine[no description available]medium70alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
tryptophan[no description available]medium20erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan		antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
rotenone[no description available]medium30organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin
phenformin[no description available]medium30biguanidesantineoplastic agent;
geroprotector;
hypoglycemic agent
nandrolone[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
anabolic androgenic steroid		human metabolite
medroxyprogesterone[no description available]medium2017alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone		contraceptive drug;
progestin;
synthetic oral contraceptive
vinblastine[no description available]medium20
glycyrrhizic acid[no description available]medium10enone;
glucosiduronic acid;
pentacyclic triterpenoid;
tricarboxylic acid;
triterpenoid saponin		EC 3.4.21.5 (thrombin) inhibitor;
plant metabolite
amiloride[no description available]medium40aromatic amine;
guanidines;
organochlorine compound;
pyrazines		diuretic;
sodium channel blocker
phenethyl isothiocyanate[no description available]medium10isothiocyanateantineoplastic agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite
floxacillin[no description available]medium20penicillin allergen;
penicillin		antibacterial drug
ergocristine[no description available]medium10ergot alkaloid
1-methyl-4-phenylpyridinium[no description available]medium10pyridinium ionapoptosis inducer;
herbicide;
human xenobiotic metabolite;
neurotoxin
atomoxetine[no description available]medium40aromatic ether;
secondary amino compound;
toluenes		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic
mifepristone[no description available]medium403-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound		abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive
adefovir[no description available]medium206-aminopurines;
ether;
phosphonic acids		antiviral drug;
DNA synthesis inhibitor;
drug metabolite;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent
n-methylnicotinamide[no description available]medium10pyridinecarboxamidemetabolite
baicalin[no description available]medium40dihydroxyflavone;
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative		antiatherosclerotic agent;
antibacterial agent;
anticoronaviral agent;
antineoplastic agent;
antioxidant;
cardioprotective agent;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
ferroptosis inhibitor;
neuroprotective agent;
non-steroidal anti-inflammatory drug;
plant metabolite;
prodrug
glutathione disulfide[no description available]high30glutathione derivative;
organic disulfide		Escherichia coli metabolite;
mouse metabolite
sanguinarine chloride[no description available]medium10
chelerythrine chloride[no description available]medium10
4-nitrophenylglucuronide[no description available]medium10beta-D-glucosiduronic acid;
C-nitro compound		chromogenic compound
acetaminophen glucuronide[no description available]medium10beta-D-glucosiduronic aciddrug metabolite
lopinavir[no description available]medium20amphetamines;
dicarboxylic acid diamide		anticoronaviral agent;
antiviral drug;
HIV protease inhibitor
fluo-3[no description available]medium10xanthene dyefluorochrome
elacridar[no description available]medium10
imatinib mesylate[no description available]medium20methanesulfonate saltanticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
gefitinib[no description available]medium50aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
5-carboxyfluorescein diacetate[no description available]medium10
disopyramide, (s)-isomer[no description available]medium10
atropine[no description available]medium50
atropine[no description available]medium51
erlotinib[no description available]medium20aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
noscapine[no description available]medium20aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound		antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite
taxifolin[no description available]medium10taxifolinmetabolite
resveratrol[no description available]medium20resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
chlorprothixene[no description available]medium10chlorprothixene
digoxin[no description available]medium70cardenolide glycoside;
steroid saponin		anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
fusidic acid[no description available]medium4011alpha-hydroxy steroid;
3alpha-hydroxy steroid;
alpha,beta-unsaturated monocarboxylic acid;
steroid acid;
steroid antibiotic;
sterol ester		EC 2.7.1.33 (pantothenate kinase) inhibitor;
Escherichia coli metabolite;
protein synthesis inhibitor
estrone sulfate[no description available]medium3017-oxo steroid;
steroid sulfate		human metabolite;
mouse metabolite
quinine[no description available]medium60cinchona alkaloidantimalarial;
muscle relaxant;
non-narcotic analgesic
biochanin a[no description available]medium104'-methoxyisoflavones;
7-hydroxyisoflavones		antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
genistein[no description available]medium107-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
morin[no description available]medium107-hydroxyflavonol;
pentahydroxyflavone		angiogenesis modulating agent;
anti-inflammatory agent;
antibacterial agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
hepatoprotective agent;
metabolite;
neuroprotective agent
flupenthixol[no description available]medium20flupenthixoldopaminergic antagonist
l 660,711[no description available]medium10quinolines
tranilast[no description available]medium20amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide		anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent
indocyanine green[no description available]medium201,1-diunsubstituted alkanesulfonate;
benzoindole;
cyanine dye
seglitide[no description available]medium10
dextromethorphan[no description available]medium406-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthreneantitussive;
environmental contaminant;
neurotoxin;
NMDA receptor antagonist;
oneirogen;
prodrug;
xenobiotic
sulindac sulfone[no description available]medium20monocarboxylic acid;
organofluorine compound;
sulfone		apoptosis inducer;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
ko 143[no description available]medium10beta-carbolines;
tert-butyl ester
amodiaquine hydrochloride[no description available]medium20
tipranavir[no description available]medium20sulfonamideantiviral drug;
HIV protease inhibitor
leucovorin[no description available]medium30formyltetrahydrofolic acidEscherichia coli metabolite;
mouse metabolite
kampirone[no description available]medium10N-arylpiperazine
1-(2-pyridinyl)piperazine[no description available]medium10
4-hydroxybenzyl alcohol[no description available]medium10benzyl alcohols;
phenols		plant metabolite
4-hydroxybenzaldehyde[no description available]medium10hydroxybenzaldehydeEC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor;
mouse metabolite;
plant metabolite
ethylene glycol[no description available]medium30ethanediol;
glycol		metabolite;
mouse metabolite;
solvent;
toxin
acetaldehyde[no description available]medium10aldehydecarcinogenic 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
acetone[no description available]high20ketone body;
methyl ketone;
propanones;
volatile organic compound		EC 3.5.1.4 (amidase) inhibitor;
human metabolite;
polar aprotic solvent
benzaldehyde[no description available]medium10benzaldehydesEC 3.1.1.3 (triacylglycerol lipase) inhibitor;
EC 3.5.5.1 (nitrilase) inhibitor;
flavouring agent;
fragrance;
odorant receptor agonist;
plant metabolite
benzene[no description available]medium10aromatic annulene;
benzenes;
volatile organic compound		carcinogenic agent;
environmental contaminant;
non-polar solvent
1-butanol[no description available]medium10alkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol		human metabolite;
mouse metabolite;
protic solvent
3-cresol[no description available]medium10cresolhuman xenobiotic metabolite
dibenzofuran[no description available]medium10dibenzofurans;
mancude organic heterotricyclic parent;
polycyclic heteroarene		xenobiotic
acetanilide[no description available]medium10acetamides;
anilide		analgesic
1-octanol[no description available]medium20octanol;
primary alcohol		antifungal agent;
bacterial metabolite;
fuel additive;
kairomone;
plant metabolite
phenylacetic acid[no description available]medium20benzenes;
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
1-propanol[no description available]medium10propan-1-ols;
short-chain primary fatty alcohol		metabolite;
protic solvent
toluene[no description available]medium10methylbenzene;
toluenes;
volatile organic compound		cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent
acetohexamide[no description available]medium40acetophenones;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
amobarbital[no description available]medium20barbiturates
barbital[no description available]medium20barbituratesdrug allergen
bendroflumethiazide[no description available]medium20benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic
benzocaine[no description available]medium20benzoate ester;
substituted aniline		allergen;
antipruritic drug;
sensitiser;
topical anaesthetic
butamben[no description available]medium10amino acid ester;
benzoate ester;
primary amino compound;
substituted aniline		local anaesthetic
dibenzothiophene[no description available]medium10dibenzothiophenes;
mancude organic heterotricyclic parent		keratolytic drug
fenbufen[no description available]medium204-oxo monocarboxylic acid;
biphenyls		non-steroidal anti-inflammatory drug
fludiazepam[no description available]medium101,4-benzodiazepinone;
organochlorine compound;
organofluorine compound		anxiolytic drug
flufenamic acid[no description available]medium40aromatic amino acid;
organofluorine compound		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
hexobarbital[no description available]medium20barbiturates
2-propanol[no description available]medium20secondary alcohol;
secondary fatty alcohol		protic solvent
medazepam[no description available]medium10organic molecular entity
vitamin k 3[no description available]medium401,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical
fenamic acid[no description available]medium10aminobenzoic acid;
secondary amino compound		membrane transport modulator
nimetazepam[no description available]medium101,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
GABA modulator;
sedative
nitrazepam[no description available]medium301,4-benzodiazepinone;
C-nitro compound		anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative
4-chlorophenol[no description available]medium10monochlorophenol
pentobarbital[no description available]medium40barbituratesGABAA receptor agonist
phenazine[no description available]medium10azaarene;
heteranthrene;
mancude organic heterotricyclic parent;
phenazines;
polycyclic heteroarene
sulfamerazine[no description available]medium20pyrimidines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
drug allergen
sulfamonomethoxine[no description available]medium10benzenes;
sulfonamide
sulfanilamide[no description available]medium40substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
drug allergen;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfaphenazole[no description available]medium30primary amino compound;
pyrazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 1.14.13.67 (quinine 3-monooxygenase) inhibitor;
P450 inhibitor
sulfapyridine[no description available]medium20pyridines;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
dermatologic drug;
drug allergen;
environmental contaminant;
xenobiotic
sulfisomidine[no description available]medium10pyrimidines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent
sulfisoxazole[no description available]medium20isoxazoles;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
drug allergen
tolnaftate[no description available]medium10monothiocarbamic esterantifungal drug
hydrocortisone acetate[no description available]medium20cortisol ester;
tertiary alpha-hydroxy ketone
cortisone acetate[no description available]medium30corticosteroid hormone
prednisolone acetate[no description available]medium10corticosteroid hormone
cyclobarbital[no description available]medium20barbiturates
allobarbital[no description available]medium20barbiturates
paramethasone[no description available]medium10fluorinated steroid
carbon tetrachloride[no description available]medium100chlorocarbon;
chloromethanes		hepatotoxic agent;
refrigerant
phenylethyl alcohol[no description available]medium10benzenes;
primary alcohol		Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite
4-nitrobenzoic acid[no description available]medium10nitrobenzoic acid
chloroform[no description available]medium50chloromethanes;
one-carbon compound		carcinogenic agent;
central nervous system drug;
inhalation anaesthetic;
non-polar solvent;
refrigerant
fluocinolone acetonide[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
organic heteropentacyclic compound;
primary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug
4-hydroxypropiophenone[no description available]medium10acetophenones
n-pentanol[no description available]medium10pentanol;
short-chain primary fatty alcohol		human metabolite;
plant metabolite
acetonitrile[no description available]medium20aliphatic nitrile;
volatile organic compound		EC 3.5.1.4 (amidase) inhibitor;
NMR chemical shift reference compound;
polar aprotic solvent
tert-butyl alcohol[no description available]medium10tertiary alcoholhuman xenobiotic metabolite
tert-amyl alcohol[no description available]medium10aliphatic alcohol;
tertiary alcohol		protic solvent
triamcinolone acetonide[no description available]medium2011beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
cyclic ketal;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug
isobutyl alcohol[no description available]medium10alkyl alcohol;
primary alcohol		Saccharomyces cerevisiae metabolite
2-butanol[no description available]medium10secondary alcohol
p-tert-amylphenol[no description available]medium10alkylbenzene
dehydrocholic acid[no description available]medium16012-oxo steroid;
3-oxo-5beta-steroid;
7-oxo steroid;
oxo-5beta-cholanic acid		gastrointestinal drug
carbazole[no description available]medium10carbazole
xanthenes[no description available]medium20xanthene
phenothiazine[no description available]medium40phenothiazineferroptosis inhibitor;
plant metabolite;
radical scavenger
thianthrene[no description available]medium10mancude organic heterotricyclic parent;
organosulfur heterocyclic compound;
thianthrenes
methyl benzoate[no description available]medium10benzoate ester;
methyl ester		insect attractant;
metabolite
ethyl benzoate[no description available]medium10benzoate ester;
ethyl ester		flavouring agent;
fragrance;
volatile oil component
butylparaben[no description available]medium10organic molecular entity
benzothiophene[no description available]medium101-benzothiophenes;
benzothiophene
benzothiazole[no description available]medium10benzothiazolesenvironmental contaminant;
plant metabolite;
xenobiotic
cyclopentanol[no description available]medium10cyclopentanols
acetophenone[no description available]medium10acetophenonesanimal metabolite;
photosensitizing agent;
xenobiotic
nitrobenzene[no description available]medium10nitroarene;
nitrobenzenes
4-chloronitrobenzene[no description available]medium10C-nitro compound
4-nitroaniline[no description available]medium10nitroanilinebacterial xenobiotic metabolite
ethylbenzene[no description available]medium10alkylbenzene
benzyl chloride[no description available]medium10benzyl chlorides
benzonitrile[no description available]medium10benzenes;
nitrile
methylaniline[no description available]medium10methylaniline;
phenylalkylamine;
secondary amine
anisole[no description available]medium10monomethoxybenzeneplant metabolite
phenetole[no description available]medium10aromatic ether
1,4-dibromobenzene[no description available]medium10dibromobenzene
4-bromophenol[no description available]medium30bromophenolhuman urinary metabolite;
human xenobiotic metabolite;
marine metabolite;
mouse metabolite;
persistent organic pollutant;
rat metabolite
4-xylene[no description available]medium10xylene
isobutylmethylcarbinol[no description available]medium10
3-chlorophenol[no description available]medium10monochlorophenol
bromobenzene[no description available]medium40bromoarene;
bromobenzenes;
volatile organic compound		hepatotoxic agent;
mouse metabolite;
non-polar solvent
cyclohexanol[no description available]medium10cyclohexanols;
secondary alcohol		solvent
methyl cellosolve[no description available]medium10glycol etherprotic solvent;
solvent
diethylamine[no description available]medium10secondary aliphatic amine
tetrahydrofuran[no description available]medium10cyclic ether;
oxolanes;
saturated organic heteromonocyclic parent;
volatile organic compound		polar aprotic solvent
1,4-butanediol[no description available]medium10butanediol;
glycol		neurotoxin;
prodrug;
protic solvent
1-hexanol[no description available]medium10hexanol;
primary alcohol		alarm pheromone;
antibacterial agent;
fragrance;
plant metabolite
1,5-pentanediol[no description available]medium10primary alcohol
heptanol[no description available]medium10heptanol;
primary alcohol		flavouring agent;
fragrance;
gap junctional intercellular communication inhibitor;
plant metabolite
mephobarbital[no description available]medium40barbituratesanticonvulsant
2-methylbutanol[no description available]medium10alkyl alcohol;
primary alcohol		Saccharomyces cerevisiae metabolite
p-cresyl acetate[no description available]medium10benzoate ester;
phenols
3-hydroxyanisole[no description available]medium10monomethoxybenzene;
phenols
phenanthridine[no description available]medium10azaarene;
mancude organic heterotricyclic parent;
phenanthridines;
polycyclic heteroarene
acridines[no description available]medium10acridines;
mancude organic heterotricyclic parent;
polycyclic heteroarene		genotoxin
carbutamide[no description available]medium20benzenes;
sulfonamide
4-fluorophenol[no description available]medium10fluorophenol;
monofluorobenzenes
3-fluorophenol[no description available]medium10
fluorobenzenes[no description available]medium10monofluorobenzenesNMR chemical shift reference compound
3,3-dimethyl-2-butanol[no description available]medium10
phloroglucinol dimethyl ether[no description available]medium10methoxybenzenes;
phenols
1,3-propanediol[no description available]medium10propane-1,3-diolsmetabolite;
protic solvent
phenylacetylene[no description available]medium10benzenes
3-bromophenol[no description available]medium10
3,5-dichlorophenol[no description available]medium10dichlorophenol
iodobenzene[no description available]medium10
3-isopropylphenol[no description available]medium10
3-ethylphenol[no description available]medium10phenols
4-Ethoxyphenol[no description available]medium10aromatic ether;
phenols
2-hexanol[no description available]medium10hexanol;
secondary alcohol		human metabolite;
plant metabolite;
semiochemical
hexamethylene glycol[no description available]medium10diol;
primary alcohol
4-nitrophenyl acetate[no description available]medium10C-nitro compound;
phenyl acetates
sulfamethomidine[no description available]medium10organic molecular entity
2-octanol[no description available]medium10octanol;
secondary alcohol		plant metabolite;
volatile oil component
hydrocortisone-17-butyrate[no description available]medium10butyrate ester;
cortisol ester;
primary alpha-hydroxy ketone		dermatologic drug;
drug allergen
isopentyl alcohol[no description available]medium10alkyl alcohol;
primary alcohol;
volatile organic compound		antifungal agent;
Saccharomyces cerevisiae metabolite;
xenobiotic metabolite
triamcinolone[no description available]medium2011beta-hydroxy steroid;
16alpha-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug
progabide[no description available]medium10diarylmethane
1-n-butylimidazole[no description available]medium10
phenoxazine[no description available]medium10phenoxazineferroptosis inhibitor;
radical scavenger
cresatin[no description available]medium10benzoate ester;
phenols
3-propylphenol[no description available]medium10
cyclobutanol[no description available]medium10
1-benzylimidazole[no description available]medium10
triflumizol[no description available]medium10
1-adamantaneacetic acid[no description available]medium10
cortisone[no description available]medium1011-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite
3-coumaric acid[no description available]medium103-coumaric acid
trans-4-coumaric acid[no description available]medium104-coumaric acidfood component;
mouse metabolite;
plant metabolite
cinnarizine[no description available]medium10diarylmethane;
N-alkylpiperazine;
olefinic compound		anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist
thiopental[no description available]medium10barbituratesanticonvulsant;
drug allergen;
environmental contaminant;
intravenous anaesthetic;
sedative;
xenobiotic
dinoprostone[no description available]high160prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic
ezetimibe[no description available]medium50azetidines;
beta-lactam;
organofluorine compound		anticholesteremic drug;
antilipemic drug;
antimetabolite
cembrene a[no description available]medium10cycloalkatriene;
diterpene;
macrocycle		animal metabolite;
bacterial metabolite;
coral metabolite
sarcophine[no description available]medium10
acetic acid[no description available]medium30monocarboxylic acidantimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent
acetamide[no description available]medium10acetamides;
carboximidic acid;
monocarboxylic acid amide;
N-acylammonia
adenine[no description available]high206-aminopurines;
purine nucleobase		Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
allantoin[no description available]medium10imidazolidine-2,4-dione;
ureas		Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite;
vulnerary
quinacrine[no description available]medium10acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
betaine[no description available]medium30amino-acid betaine;
glycine derivative		fundamental metabolite
citric acid, anhydrous[no description available]medium10tricarboxylic acidantimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite
creatine[no description available]high21glycine derivative;
guanidines;
zwitterion		geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent;
nutraceutical
creatine[no description available]high20glycine derivative;
guanidines;
zwitterion		geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent;
nutraceutical
lactic acid[no description available]medium302-hydroxy monocarboxylic acidalgal metabolite;
Daphnia magna metabolite
dimethyl sulfoxide[no description available]medium20sulfoxide;
volatile organic compound		alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger
formaldehyde[no description available]medium10aldehyde;
one-carbon compound		allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
glycine[no description available]medium690alpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid		EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical
glycine[no description available]medium691alpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid		EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical
glycerol[no description available]high60alditol;
triol		algal metabolite;
detergent;
Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
solvent
inositol[no description available]medium30cyclitol;
hexol
niacinamide[no description available]medium10pyridine alkaloid;
pyridinecarboxamide;
vitamin B3		anti-inflammatory agent;
antioxidant;
cofactor;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
Escherichia coli metabolite;
geroprotector;
human urinary metabolite;
metabolite;
mouse metabolite;
neuroprotective agent;
Saccharomyces cerevisiae metabolite;
Sir2 inhibitor
niacin[no description available]high50pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3		antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
orotic acid[no description available]medium10pyrimidinemonocarboxylic acidEscherichia coli metabolite;
metabolite;
mouse metabolite
4-aminobenzoic acid[no description available]medium20aminobenzoic acid;
aromatic amino-acid zwitterion		allergen;
Escherichia coli metabolite;
plant metabolite
pyrazinamide[no description available]medium40monocarboxylic acid amide;
N-acylammonia;
pyrazines		antitubercular agent;
prodrug
pyridoxal phosphate[no description available]high20methylpyridines;
monohydroxypyridine;
pyridinecarbaldehyde;
vitamin B6 phosphate		coenzyme;
cofactor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
pyridoxine[no description available]high50hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
thiamine[no description available]medium40primary alcohol;
vitamin B1		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
uracil[no description available]high30pyrimidine nucleobase;
pyrimidone		allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite
urea[no description available]high80isourea;
monocarboxylic acid amide;
one-carbon compound		Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
acetazolamide[no description available]medium40monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
albendazole[no description available]medium40aryl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator
alfuzosin[no description available]medium20monocarboxylic acid amide;
quinazolines;
tetrahydrofuranol		alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
ambroxol[no description available]medium10aromatic amine
pimagedine[no description available]medium10guanidines;
one-carbon compound		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 1.4.3.4 (monoamine oxidase) inhibitor
amsacrine[no description available]medium10acridines;
aromatic ether;
sulfonamide		antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
anethole trithione[no description available]medium10methoxybenzenes
anthralin[no description available]medium10anthracenesantipsoriatic
bendazac[no description available]medium20indazoles;
monocarboxylic acid		non-steroidal anti-inflammatory drug;
radical scavenger
bay h 4502[no description available]medium10biphenyls;
imidazoles
bromisovalum[no description available]medium10N-acylurea;
organobromine compound
brotizolam[no description available]medium10organic molecular entity
bupivacaine[no description available]medium30aromatic amide;
piperidinecarboxamide;
tertiary amino compound
butalbital[no description available]medium10barbituratesanalgesic;
sedative
caffeine[no description available]high70purine 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
candesartan cilexetil[no description available]medium10biphenyls
carisoprodol[no description available]medium20carbamate estermuscle relaxant
carprofen[no description available]medium10carbazoles;
organochlorine compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug;
photosensitizing agent
chloral hydrate[no description available]medium10aldehyde hydrate;
ethanediol;
organochlorine compound		general anaesthetic;
mouse metabolite;
sedative;
xenobiotic
chlorambucil[no description available]medium20aromatic amine;
monocarboxylic acid;
nitrogen mustard;
organochlorine compound;
tertiary amino compound		alkylating agent;
antineoplastic agent;
carcinogenic agent;
drug allergen;
immunosuppressive agent
chlordiazepoxide[no description available]medium20benzodiazepine
chloroxylenol[no description available]medium10monochlorobenzenes;
phenols		antiseptic drug;
disinfectant;
molluscicide
chlorpropamide[no description available]medium40monochlorobenzenes;
N-sulfonylurea		hypoglycemic agent;
insulin secretagogue
citalopram[no description available]medium402-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound
clioquinol[no description available]medium10monohydroxyquinoline;
organochlorine compound;
organoiodine compound		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator
clobazam[no description available]medium101,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
GABA modulator
clomiphene[no description available]medium30tertiary amineestrogen antagonist;
estrogen receptor modulator
clotiazepam[no description available]medium10organic molecular entity
cyclandelate[no description available]medium10carboxylic ester;
secondary alcohol		vasodilator agent
deferoxamine[no description available]medium20acyclic desferrioxaminebacterial metabolite;
ferroptosis inhibitor;
iron chelator;
siderophore
amphetamine[no description available]medium20primary amine
eflornithine[no description available]medium10alpha-amino acid;
fluoroamino acid		trypanocidal drug
diazoxide[no description available]medium20benzothiadiazine;
organochlorine compound;
sulfone		antihypertensive agent;
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
diuretic;
K-ATP channel agonist;
sodium channel blocker;
sympathomimetic agent;
vasodilator agent
ddt[no description available]medium10benzenoid aromatic compound;
chlorophenylethane;
monochlorobenzenes;
organochlorine insecticide		bridged diphenyl acaricide;
carcinogenic agent;
endocrine disruptor;
persistent organic pollutant
ethoxzolamide[no description available]medium10aromatic ether;
benzothiazoles;
sulfonamide		antiglaucoma drug;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
flunitrazepam[no description available]medium101,4-benzodiazepinone;
C-nitro compound;
monofluorobenzenes		anxiolytic drug;
GABAA receptor agonist;
sedative
fomepizole[no description available]medium20pyrazolesantidote;
EC 1.1.1.1 (alcohol dehydrogenase) inhibitor;
protective agent
glafenine[no description available]medium40aminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound		inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
glutethimide[no description available]medium30piperidines
gossypol[no description available]medium10
guaiazulene[no description available]medium10sesquiterpene
fasudil[no description available]medium10isoquinolines;
N-sulfonyldiazepane		antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent
hexachlorophene[no description available]medium30bridged diphenyl fungicide;
polyphenol;
trichlorobenzene		acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug
miltefosine[no description available]medium10phosphocholines;
phospholipid		anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor
hexestrol[no description available]medium10stilbenoid
hexetidine[no description available]medium10organic heteromonocyclic compound;
organonitrogen heterocyclic compound
hydralazine[no description available]medium20azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines		antihypertensive agent;
vasodilator agent
lidocaine[no description available]medium50benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
alverine[no description available]medium10tertiary amineantispasmodic drug
idebenone[no description available]medium101,4-benzoquinones;
primary alcohol		antioxidant;
ferroptosis inhibitor
iodipamide[no description available]medium30benzoic acids;
organoiodine compound;
secondary carboxamide		radioopaque medium
iproniazid[no description available]medium40carbohydrazide;
pyridines
avapro[no description available]medium60azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
isoproterenol[no description available]medium40catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
isoxsuprine[no description available]medium20alkylbenzene
ketamine[no description available]medium30cyclohexanones;
monochlorobenzenes;
secondary amino compound		analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic
ketanserin[no description available]medium20aromatic ketone;
organofluorine compound;
piperidines;
quinazolines		alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
khellin[no description available]medium10furanochromone;
organic heterotricyclic compound;
oxacycle		anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent
beta-lapachone[no description available]medium10benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
leflunomide[no description available]medium40(trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide		antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor
lofepramine[no description available]medium10aromatic ketone;
dibenzoazepine;
monochlorobenzenes;
tertiary amino compound		antidepressant
lomustine[no description available]medium20N-nitrosoureas;
organochlorine compound		alkylating agent;
antineoplastic agent
malathion[no description available]medium10diester;
ethyl ester;
organic thiophosphate
diisopropyl 1,3-dithiol-2-ylidenemalonate[no description available]medium10isopropyl ester
mazindol[no description available]medium10organic molecular entity
meclizine[no description available]medium20diarylmethane
meclofenoxate[no description available]medium10monocarboxylic acid
mephenytoin[no description available]medium20imidazolidine-2,4-dioneanticonvulsant
mepivacaine[no description available]medium20piperidinecarboxamidedrug allergen;
local anaesthetic
meprobamate[no description available]medium40organic molecular entity
methadone[no description available]medium20benzenes;
diarylmethane;
ketone;
tertiary amino compound
methoxsalen[no description available]medium20aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite
methoxyflurane[no description available]medium10ether;
organochlorine compound;
organofluorine compound		hepatotoxic agent;
inhalation anaesthetic;
nephrotoxic agent;
non-narcotic analgesic
methyl salicylate[no description available]medium10benzoate ester;
methyl ester;
salicylates		flavouring agent;
insect attractant;
metabolite
methylphenidate[no description available]medium40beta-amino acid ester;
methyl ester;
piperidines
methyprylon[no description available]medium10organic molecular entity
metyrapone[no description available]medium20aromatic ketoneantimetabolite;
diagnostic agent;
EC 1.14.15.4 (steroid 11beta-monooxygenase) inhibitor
mianserin[no description available]medium30dibenzoazepineadrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist
miconazole[no description available]medium30dichlorobenzene;
ether;
imidazoles
mitotane[no description available]medium20diarylmethane
modafinil[no description available]medium20monocarboxylic acid amide;
sulfoxide
moxisylyte[no description available]medium20monoterpenoid
deet[no description available]medium10benzamides;
monocarboxylic acid amide		environmental contaminant;
insect repellent;
xenobiotic
nalidixic acid[no description available]medium401,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
nialamide[no description available]medium20organonitrogen compound;
organooxygen compound
niceritrol[no description available]medium10organic molecular entity
niflumic acid[no description available]medium10aromatic carboxylic acid;
pyridines
nimesulide[no description available]medium40aromatic ether;
C-nitro compound;
sulfonamide		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
nitroglycerin[no description available]medium20nitroglycerolexplosive;
muscle relaxant;
nitric oxide donor;
prodrug;
tocolytic agent;
vasodilator agent;
xenobiotic
orphenadrine[no description available]medium20ether;
tertiary amino compound		antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
oxamniquine[no description available]medium10aromatic primary alcohol;
C-nitro compound;
quinolines;
secondary amino compound
oxethazaine[no description available]medium10amino acid amide
oxprenolol[no description available]medium10aromatic ether
oxybenzone[no description available]medium10hydroxybenzophenone;
monomethoxybenzene		dermatologic drug;
environmental contaminant;
protective agent;
ultraviolet filter;
xenobiotic
pantoprazole[no description available]medium20aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic
perazine[no description available]medium10N-alkylpiperazine;
N-methylpiperazine;
phenothiazines		dopaminergic antagonist;
phenothiazine antipsychotic drug
phenoxybenzamine[no description available]medium30aromatic amine
moxonidine[no description available]medium10organohalogen compound;
pyrimidines
pinacidil[no description available]medium30pyridines
pipemidic acid[no description available]medium10amino acid;
monocarboxylic acid;
N-arylpiperazine;
pyridopyrimidine;
quinolone antibiotic		antibacterial drug;
DNA synthesis inhibitor
piperazine[no description available]medium10azacycloalkane;
piperazines;
saturated organic heteromonocyclic parent		anthelminthic drug
primaquine[no description available]medium20aminoquinoline;
aromatic ether;
N-substituted diamine		antimalarial
probucol[no description available]medium40dithioketal;
polyphenol		anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug
prochlorperazine[no description available]medium20N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines		alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic
pyridinolcarbamate[no description available]medium10pyridines
pyrimethamine[no description available]medium40aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
opc 12759[no description available]medium10secondary carboxamide
rofecoxib[no description available]medium10butenolide;
sulfone		analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
sibutramine[no description available]medium20organochlorine compound;
tertiary amino compound		anti-obesity agent;
serotonin uptake inhibitor
4-phenylbutyric acid, sodium salt[no description available]medium10organic sodium saltEC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector;
neuroprotective agent;
orphan drug;
prodrug
vorinostat[no description available]medium20dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
sulfameter[no description available]medium10pyrimidines;
sulfonamide antibiotic;
sulfonamide		antiinfective agent;
leprostatic drug;
renal agent
sulfamethazine[no description available]medium10pyrimidines;
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
sulfamethizole[no description available]medium40sulfonamide antibiotic;
sulfonamide;
thiadiazoles		antiinfective agent;
antimicrobial agent;
drug allergen;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfamethoxazole[no description available]medium10isoxazoles;
substituted aniline;
sulfonamide antibiotic;
sulfonamide		antibacterial agent;
antiinfective agent;
antimicrobial agent;
drug allergen;
EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor;
EC 2.5.1.15 (dihydropteroate synthase) inhibitor;
environmental contaminant;
epitope;
P450 inhibitor;
xenobiotic
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol[no description available]medium20alkylbenzene
sulpiride[no description available]medium10benzamides;
N-alkylpyrrolidine;
sulfonamide		antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
suramin[no description available]medium20naphthalenesulfonic acid;
phenylureas;
secondary carboxamide		angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug
gatifloxacin[no description available]medium30N-arylpiperazine;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antiinfective agent;
antimicrobial agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
tegafur[no description available]medium10organohalogen compound;
pyrimidines
temozolomide[no description available]medium30imidazotetrazine;
monocarboxylic acid amide;
triazene derivative		alkylating agent;
antineoplastic agent;
prodrug
terbutaline[no description available]medium20phenylethanolamines;
resorcinols		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hypoglycemic agent;
sympathomimetic agent;
tocolytic agent
tetracaine[no description available]medium10benzoate ester;
tertiary amino compound		local anaesthetic
thalidomide[no description available]medium20phthalimides;
piperidones
thiabendazole[no description available]medium201,3-thiazoles;
benzimidazole fungicide;
benzimidazoles		antifungal agrochemical;
antinematodal drug
tolazamide[no description available]medium40N-sulfonylureahypoglycemic agent;
potassium channel blocker
tolbutamide[no description available]high50N-sulfonylureahuman metabolite;
hypoglycemic agent;
insulin secretagogue;
potassium channel blocker
tolperisone[no description available]medium10aromatic ketone
tranexamic acid[no description available]medium20amino acid
triclosan[no description available]medium10aromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols		antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic
troglitazone[no description available]medium60chromanes;
thiazolidinone		anticoagulant;
anticonvulsant;
antineoplastic agent;
antioxidant;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
hypoglycemic agent;
platelet aggregation inhibitor;
vasodilator agent
vesnarinone[no description available]medium10organic molecular entity
vigabatrin[no description available]medium20gamma-amino acidanticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
guanidine hydrochloride[no description available]medium10one-carbon compound;
organic chloride salt		protein denaturant
mitomycin[no description available]medium20mitomycinalkylating agent;
antineoplastic agent
cephaloridine[no description available]medium30beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative		antibacterial drug
phentolamine[no description available]medium40imidazoles;
phenols;
substituted aniline;
tertiary amino compound		alpha-adrenergic antagonist;
vasodilator agent
sorbitol[no description available]medium40glucitolcathartic;
Escherichia coli metabolite;
food humectant;
human metabolite;
laxative;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite;
sweetening agent
piperonyl butoxide[no description available]medium10benzodioxolespesticide synergist
bromouracil[no description available]medium10nucleobase analogue;
pyrimidines		mutagen
3,3',5-triiodothyroacetic acid[no description available]medium10
histamine dihydrochloride[no description available]medium10
dextroamphetamine[no description available]medium201-phenylpropan-2-amineadrenergic agent;
adrenergic uptake inhibitor;
dopamine uptake inhibitor;
dopaminergic agent;
neurotoxin;
sympathomimetic agent
carbachol[no description available]medium10ammonium salt;
carbamate ester		cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic
norethindrone acetate[no description available]medium103-oxo-Delta(4) steroid;
acetate ester;
terminal acetylenic compound		progestin;
synthetic oral contraceptive
trichlorfon[no description available]medium10organic phosphonate;
organochlorine compound;
phosphonic ester		agrochemical;
anthelminthic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
insecticide
oxandrolone[no description available]medium2017beta-hydroxy steroid;
3-oxo steroid;
anabolic androgenic steroid;
oxa-steroid		anabolic agent;
androgen
nad[no description available]medium10NADgeroprotector
glutamine[no description available]high30amino acid zwitterion;
glutamine family amino acid;
glutamine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
cetrimonium bromide[no description available]medium10organic bromide salt;
quaternary ammonium salt		detergent;
surfactant
physostigmine[no description available]medium40carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
sucrose[no description available]high50glycosyl glycosidealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
osmolyte;
Saccharomyces cerevisiae metabolite;
sweetening agent
apomorphine[no description available]medium20aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug
aminopyrine[no description available]medium20pyrazolone;
tertiary amino compound		antipyretic;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
methyltestosterone[no description available]medium2017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
enone		anabolic agent;
androgen;
antineoplastic agent
tetrabenazine[no description available]medium20benzoquinolizine;
cyclic ketone;
tertiary amino compound
cephalothin[no description available]medium10azabicycloalkene;
beta-lactam antibiotic allergen;
carboxylic acid;
cephalosporin;
semisynthetic derivative;
thiophenes		antibacterial drug;
antimicrobial agent
uridine[no description available]high20uridinesdrug metabolite;
fundamental metabolite;
human metabolite
kanamycin a[no description available]medium30kanamycinsbacterial metabolite
phenylephrine[no description available]medium20phenols;
phenylethanolamines;
secondary amino compound		alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent
levodopa[no description available]high40amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug
niridazole[no description available]medium101,3-thiazoles;
C-nitro compound
carbaryl[no description available]medium10carbamate ester;
naphthalenes		acaricide;
agrochemical;
carbamate insecticide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant growth retardant
lactose[no description available]medium40lactose
methionine[no description available]high40aspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid		antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical
Mebutamate[no description available]medium10organic molecular entity
benziodarone[no description available]medium20aromatic ketone
mannitol[no description available]medium130mannitolallergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent
mannitol[no description available]medium131mannitolallergen;
antiglaucoma drug;
compatible osmolytes;
Escherichia coli metabolite;
food anticaking agent;
food bulking agent;
food humectant;
food stabiliser;
food thickening agent;
hapten;
metabolite;
osmotic diuretic;
sweetening agent
methaqualone[no description available]medium10quinazolinesGABA agonist;
sedative
trypan blue[no description available]medium10
cordycepin[no description available]medium103'-deoxyribonucleoside;
adenosines		antimetabolite;
nucleoside antibiotic
arginine[no description available]high80arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical
trichloroacetic acid[no description available]medium10monocarboxylic acid;
organochlorine compound		carcinogenic agent;
metabolite;
mouse metabolite
allylpropymal[no description available]medium10barbiturates
butobarbital[no description available]medium10barbiturates
trichloroethylene[no description available]medium30chloroethenesinhalation anaesthetic;
mouse metabolite
isosorbide dinitrate[no description available]medium40glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent
synephrine[no description available]medium10ethanolamines;
phenethylamine alkaloid;
phenols		alpha-adrenergic agonist;
plant metabolite
benzoyl peroxide[no description available]medium10carbonyl compound
furan[no description available]medium10furans;
mancude organic heteromonocyclic parent;
monocyclic heteroarene		carcinogenic agent;
hepatotoxic agent;
Maillard reaction product
ergotamine[no description available]medium10peptide ergot alkaloidalpha-adrenergic agonist;
mycotoxin;
non-narcotic analgesic;
oxytocic;
serotonergic agonist;
vasoconstrictor agent
neostigmine bromide[no description available]medium10bromide salt
hexachlorobenzene[no description available]medium10aromatic fungicide;
chlorobenzenes		antifungal agrochemical;
carcinogenic agent;
persistent organic pollutant
trinitrotoluene[no description available]medium10trinitrotolueneexplosive
framycetin[no description available]medium40aminoglycosideallergen;
antibacterial drug;
Escherichia coli metabolite
pyrazolanthrone[no description available]medium30anthrapyrazole;
aromatic ketone;
cyclic ketone		antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector
meglumine[no description available]medium10hexosamine;
secondary amino compound
cinchophen[no description available]medium40quinolines
yohimbine[no description available]medium10methyl 17-hydroxy-20xi-yohimban-16-carboxylatealpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist
quinestrol[no description available]medium1017-hydroxy steroid;
terminal acetylenic compound		xenoestrogen
dydrogesterone[no description available]medium1020-oxo steroid;
3-oxo-Delta(4) steroid		progestin
ephedrine[no description available]medium20phenethylamine alkaloid;
phenylethanolamines		bacterial metabolite;
environmental contaminant;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
chlormadinone acetate[no description available]medium10corticosteroid hormone
2,3-dimercaptosuccinic acid[no description available]medium10
evans blue[no description available]medium20organic sodium saltfluorochrome;
histological dye;
sodium channel blocker;
teratogenic agent
aminophylline[no description available]medium20mixturebronchodilator agent;
cardiotonic drug
azacitidine[no description available]medium50N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent
phenyramidol[no description available]medium10aminopyridine
nandrolone decanoate[no description available]medium20steroid ester
bucladesine[no description available]medium103',5'-cyclic purine nucleotide;
butanamides;
butyrate ester		agonist;
cardiotonic drug;
vasodilator agent
perflubron[no description available]medium10haloalkane;
organobromine compound;
perfluorinated compound		blood substitute;
radioopaque medium
dextropropoxyphene[no description available]medium201-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoatemu-opioid receptor agonist;
opioid analgesic
glycyrrhetinic acid[no description available]medium10cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		immunomodulator;
plant metabolite
dihydralazine[no description available]medium10phthalazines
phenylpropanolamine[no description available]medium10amphetamines;
phenethylamine alkaloid		plant metabolite
dihydroergotamine[no description available]medium20ergot alkaloid;
semisynthetic derivative		dopamine agonist;
non-narcotic analgesic;
serotonergic agonist;
sympatholytic agent;
vasoconstrictor agent
hesperidin[no description available]medium103'-hydroxyflavanones;
4'-methoxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
flavanone glycoside;
monomethoxyflavanone;
rutinoside		mutagen
chlormethiazole[no description available]medium10thiazoles
methamphetamine[no description available]medium20amphetamines;
secondary amine		central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic
gentian violet[no description available]medium10organic chloride saltanthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye
hematoporphyrin[no description available]medium10
lactulose[no description available]medium20glycosylfructosegastrointestinal drug;
laxative
erythromycin stearate[no description available]medium10aminoglycoside
vancomycin[no description available]medium40glycopeptideantibacterial drug;
antimicrobial agent;
bacterial metabolite
sulfadoxine[no description available]medium10pyrimidines;
sulfonamide		antibacterial drug;
antimalarial
acadesine[no description available]medium101-ribosylimidazolecarboxamide;
aminoimidazole;
nucleoside analogue		antineoplastic agent;
platelet aggregation inhibitor
doxifluridine[no description available]medium10organofluorine compound;
pyrimidine 5'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
prodrug
iproclozide[no description available]medium10aromatic ether
streptomycin[no description available]medium50antibiotic antifungal drug;
antibiotic fungicide;
streptomycins		antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor
carbenicillin disodium[no description available]medium10organic sodium salt
dehydroemetine[no description available]medium10aromatic ether;
isoquinolines;
pyridoisoquinoline		antileishmanial agent;
antimalarial;
antiprotozoal drug
benorilate[no description available]medium10carbonyl compound
trimetazidine[no description available]medium10aromatic amine
vidarabine[no description available]medium30beta-D-arabinoside;
purine nucleoside		antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic
tiadenol[no description available]medium10aliphatic sulfide
camptothecin[no description available]medium30delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
stanozolol[no description available]medium1017beta-hydroxy steroid;
anabolic androgenic steroid;
organic heteropentacyclic compound;
tertiary alcohol		anabolic agent;
androgen
clodronic acid[no description available]medium201,1-bis(phosphonic acid);
one-carbon compound;
organochlorine compound		antineoplastic agent;
bone density conservation agent
xipamide[no description available]medium10benzamides
thiamphenicol[no description available]medium20monocarboxylic acid amide;
sulfone		antimicrobial agent;
immunosuppressive agent
pizotyline[no description available]medium10benzocycloheptathiophenehistamine antagonist;
muscarinic antagonist;
serotonergic antagonist
carbimazole[no description available]medium101,3-dihydroimidazole-2-thiones;
carbamate ester		antithyroid drug;
prodrug
oxyphenisatin[no description available]medium20indoles
tetrachloroethylene[no description available]medium10chlorocarbon;
chloroethenes		nephrotoxic agent
butachlor[no description available]medium10aromatic amide;
organochlorine compound;
tertiary carboxamide		environmental contaminant;
herbicide;
xenobiotic
rose bengal b disodium salt[no description available]medium10
glutamic acid[no description available]high40glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical
nicergoline[no description available]medium10organic heterotetracyclic compound;
organonitrogen heterocyclic compound
oxcarbazepine[no description available]medium20cyclic ketone;
dibenzoazepine		anticonvulsant;
drug allergen
amineptin[no description available]medium20amino acid;
carbocyclic fatty acid;
carbotricyclic compound;
secondary amino compound		antidepressant;
dopamine uptake inhibitor
pirprofen[no description available]medium40pyrroline
amikacin[no description available]medium20alpha-D-glucoside;
amino cyclitol glycoside;
aminoglycoside;
carboxamide		antibacterial drug;
antimicrobial agent;
nephrotoxin
ticrynafen[no description available]medium50aromatic ether;
aromatic ketone;
dichlorobenzene;
monocarboxylic acid;
thiophenes		antihypertensive agent;
hepatotoxic agent;
loop diuretic
bezafibrate[no description available]medium160aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
bezafibrate[no description available]medium161aromatic ether;
monocarboxylic acid amide;
monocarboxylic acid;
monochlorobenzenes		antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
pirfenidone[no description available]medium20pyridoneantipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
desogestrel[no description available]medium1017beta-hydroxy steroid;
terminal acetylenic compound		contraceptive drug;
progestin;
synthetic oral contraceptive
muzolimine[no description available]medium10dichlorobenzene
epirubicin[no description available]medium40aminoglycoside;
anthracycline antibiotic;
anthracycline;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
foscarnet sodium[no description available]medium10one-carbon compound;
organic sodium salt		antiviral drug
moxalactam[no description available]medium20cephalosporin;
oxacephem		antibacterial drug
nicorandil[no description available]medium10nitrate ester;
pyridinecarboxamide		potassium channel opener;
vasodilator agent
miglustat[no description available]medium20piperidines;
tertiary amino compound		anti-HIV agent;
EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor
enoximone[no description available]medium10aromatic ketone
piritrexim[no description available]medium10
atomoxetine hydrochloride[no description available]medium10hydrochlorideadrenergic uptake inhibitor;
antidepressant
gepirone[no description available]medium10N-arylpiperazine
clopidogrel[no description available]medium20methyl ester;
monochlorobenzenes;
thienopyridine		anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
bromfenac[no description available]medium40aromatic amino acid;
benzophenones;
organobromine compound;
substituted aniline		non-narcotic analgesic;
non-steroidal anti-inflammatory drug
duloxetine[no description available]medium20duloxetine
adefovir dipivoxil[no description available]medium106-aminopurines;
carbonate ester;
ether;
organic phosphonate		antiviral drug;
DNA synthesis inhibitor;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent;
prodrug
capecitabine[no description available]medium20carbamate ester;
cytidines;
organofluorine compound		antimetabolite;
antineoplastic agent;
prodrug
halofuginone[no description available]medium10quinazolines
ortho-cept[no description available]medium10
efavirenz[no description available]medium20acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound		antiviral drug;
HIV-1 reverse transcriptase inhibitor
nelfinavir[no description available]medium30aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor
doxapram hydrochloride[no description available]medium10hydrochloridecentral nervous system stimulant
1,5-anhydroglucitol[no description available]medium10anhydro sugarhuman metabolite
betulinic acid[no description available]medium10hydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite
amprenavir[no description available]medium30carbamate ester;
sulfonamide;
tetrahydrofuryl ester		antiviral drug;
HIV protease inhibitor
bendamustine[no description available]medium20benzimidazoles
erdosteine[no description available]medium10N-acyl-amino acid
mizolastine[no description available]medium10benzimidazoles
intoplicine[no description available]medium10pyridoindole
telmisartan[no description available]medium50benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
medetomidine[no description available]medium10imidazoles
picosulfate sodium[no description available]medium10aryl sulfate;
pyridines
dienogest[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
aliphatic nitrile;
steroid hormone		progesterone receptor agonist;
progestin;
synthetic oral contraceptive
morphazinamide[no description available]medium10morpholines;
pyrazines;
secondary carboxamide
voriconazole[no description available]medium20conazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug		P450 inhibitor
cyclobutyrol[no description available]medium10hydroxy monocarboxylic acidbile therapy drug
terlipressin[no description available]medium30polypeptide
isoflavone[no description available]medium10isoflavones
clevudine[no description available]medium10
tetrandrine[no description available]medium10bisbenzylisoquinoline alkaloid;
isoquinolines
rosiglitazone[no description available]medium120aminopyridine;
thiazolidinediones		EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
sr141716[no description available]medium10amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles		anti-obesity agent;
appetite depressant;
CB1 receptor antagonist
bosentan anhydrous[no description available]medium50primary alcohol;
pyrimidines;
sulfonamide		antihypertensive agent;
endothelin receptor antagonist
selenomethionine[no description available]medium10amino acid zwitterion;
selenomethionine		plant metabolite
perindopril[no description available]medium20alpha-amino acid ester;
dicarboxylic acid monoester;
ethyl ester;
organic heterobicyclic compound		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
fingolimod[no description available]medium10aminodiol;
primary amino compound		antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist
ecteinascidin 743[no description available]medium10acetate ester;
azaspiro compound;
bridged compound;
hemiaminal;
isoquinoline alkaloid;
lactone;
organic heteropolycyclic compound;
organic sulfide;
oxaspiro compound;
polyphenol;
tertiary amino compound		alkylating agent;
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
marine metabolite
nitisinone[no description available]medium20(trifluoromethyl)benzenes;
C-nitro compound;
cyclohexanones;
mesotrione		EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
marimastat[no description available]medium10hydroxamic acid;
secondary carboxamide		antineoplastic agent;
matrix metalloproteinase inhibitor
clofarabine[no description available]medium20adenosines;
organofluorine compound		antimetabolite;
antineoplastic agent
mitiglinide[no description available]medium10benzenes;
monocarboxylic acid
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine[no description available]medium10adenosines;
monocarboxylic acid amide;
organoiodine compound		adenosine A3 receptor agonist
antiprimod[no description available]medium10
sulbactam[no description available]medium10penicillanic acids
olmesartan medoxomil[no description available]medium20biphenyls
ilomastat[no description available]medium10hydroxamic acid;
L-tryptophan derivative;
N-acyl-amino acid		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
EC 3.4.24.24 (gelatinase A) inhibitor;
neuroprotective agent
atazanavir[no description available]medium20carbohydrazideantiviral drug;
HIV protease inhibitor
cariporide[no description available]medium10
tezosentan[no description available]medium10
moxifloxacin[no description available]medium20aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug
jtt 501[no description available]medium10
cyc 202[no description available]medium102,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
paromomycin[no description available]medium30amino cyclitol glycoside;
aminoglycoside antibiotic		anthelminthic drug;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
paromomycin[no description available]medium31amino cyclitol glycoside;
aminoglycoside antibiotic		anthelminthic drug;
antibacterial drug;
antiparasitic agent;
antiprotozoal drug
avasimibe[no description available]medium10monoterpenoid
biotin[no description available]medium30biotins;
vitamin B7		coenzyme;
cofactor;
Escherichia coli metabolite;
fundamental metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
prosthetic group;
Saccharomyces cerevisiae metabolite
troleandomycin[no description available]medium30acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative		EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic
deferasirox[no description available]medium20benzoic acids;
monocarboxylic acid;
phenols;
triazoles		iron chelator
tbc-11251[no description available]medium20benzodioxoles
sitosterol, (3beta)-isomer[no description available]medium103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol		anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor
benzarone[no description available]medium201-benzofurans
homoharringtonine[no description available]medium10alkaloid ester;
enol ether;
organic heteropentacyclic compound;
tertiary alcohol		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
protein synthesis inhibitor
o-(chloroacetylcarbamoyl)fumagillol[no description available]medium10carbamate ester;
organochlorine compound;
semisynthetic derivative;
sesquiterpenoid;
spiro-epoxide		angiogenesis inhibitor;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
methionine aminopeptidase 2 inhibitor;
retinoic acid receptor alpha antagonist
bortezomib[no description available]medium20amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
nexavar[no description available]medium10organosulfonate salt
glucosamine[no description available]medium30D-glucosamineEscherichia coli metabolite;
geroprotector;
mouse metabolite
digitoxin[no description available]medium10cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
trimethaphan camsylate[no description available]medium10
erythromycin estolate[no description available]medium40aminoglycoside sulfate salt;
erythromycin derivative		enzyme inhibitor
cyclopamine[no description available]medium10piperidinesglioma-associated oncogene inhibitor
devazepide[no description available]medium101,4-benzodiazepinone;
indolecarboxamide		antineoplastic agent;
apoptosis inducer;
cholecystokinin antagonist;
gastrointestinal drug
tolterodine[no description available]medium20tertiary amineantispasmodic drug;
muscarinic antagonist;
muscle relaxant
doxorubicin hydrochloride[no description available]medium30anthracycline
ao 128[no description available]medium10organic molecular entity
alpha-D-fructofuranose 1,6-bisphosphate[no description available]medium10D-fructofuranose 1,6-bisphosphate
docosahexaenoate[no description available]medium20docosahexaenoic acid;
omega-3 fatty acid		algal metabolite;
antineoplastic agent;
Daphnia tenebrosa metabolite;
human metabolite;
mouse metabolite;
nutraceutical
oleic acid[no description available]high40octadec-9-enoic acidantioxidant;
Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite;
solvent
tacrolimus[no description available]medium60macrolide lactambacterial metabolite;
immunosuppressive agent
tacrolimus[no description available]medium61macrolide lactambacterial metabolite;
immunosuppressive agent
cerivastatin[no description available]medium40dihydroxy monocarboxylic acid;
pyridines;
statin (synthetic)
rosuvastatin[no description available]medium20dihydroxy monocarboxylic acid;
monofluorobenzenes;
pyrimidines;
statin (synthetic);
sulfonamide		anti-inflammatory agent;
antilipemic drug;
cardioprotective agent;
CETP inhibitor;
environmental contaminant;
xenobiotic
cocaine[no description available]medium10benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid		adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
eicosapentaenoic acid[no description available]high40icosapentaenoic acid;
omega-3 fatty acid		anticholesteremic drug;
antidepressant;
antineoplastic agent;
Daphnia galeata metabolite;
fungal metabolite;
micronutrient;
mouse metabolite;
nutraceutical
clindamycin[no description available]medium20
drf 2725[no description available]medium30
alitretinoin[no description available]medium50retinoic acidantineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist
decitabine[no description available]medium302'-deoxyribonucleoside
tiazofurin[no description available]medium101,3-thiazoles;
C-glycosyl compound;
monocarboxylic acid amide		antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
prodrug
tenofovir[no description available]medium20nucleoside analogue;
phosphonic acids		antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor
rubitecan[no description available]medium10C-nitro compound;
delta-lactone;
pyranoindolizinoquinoline;
semisynthetic derivative;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
micafungin[no description available]medium30antibiotic antifungal drug;
echinocandin		antiinfective agent
riboflavin[no description available]medium20flavin;
vitamin B2		anti-inflammatory agent;
antioxidant;
cofactor;
Escherichia coli metabolite;
food colouring;
fundamental metabolite;
human urinary metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite
sodium bicarbonate[no description available]medium50one-carbon compound;
organic sodium salt		antacid;
food anticaking agent
sodium acetate, anhydrous[no description available]medium10organic sodium saltNMR chemical shift reference compound
sodium benzoate[no description available]medium10organic sodium saltalgal metabolite;
antimicrobial food preservative;
drug allergen;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
human xenobiotic metabolite;
plant metabolite
dipyrone[no description available]medium10organic sodium saltanti-inflammatory agent;
antipyretic;
antirheumatic drug;
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug;
prodrug
ditiocarb sodium[no description available]medium10organic molecular entity
carbenoxolone[no description available]medium10
discodermolide[no description available]medium10diterpenoid
cannabidiol[no description available]medium10olefinic compound;
phytocannabinoid;
resorcinols		antimicrobial agent;
plant metabolite
prothionamide[no description available]medium10pyridines
methimazole[no description available]medium401,3-dihydroimidazole-2-thionesantithyroid drug
capsaicin[no description available]medium30capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker
tacrine hydrochloride[no description available]medium10
sodium propionate[no description available]medium10organic sodium saltantifungal drug;
food preservative
hmr 3647[no description available]medium50
toremifene[no description available]medium20aromatic ether;
organochlorine compound;
tertiary amine		antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
telaprevir[no description available]medium10cyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines		antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic
droloxifene[no description available]medium10stilbenoid
or 1259[no description available]medium10hydrazone;
nitrile;
pyridazinone		anti-arrhythmia drug;
cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
vasodilator agent
gestodene[no description available]medium10steroidestrogen
orlistat[no description available]medium20beta-lactone;
carboxylic ester;
formamides;
L-leucine derivative		anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor
idoxifene[no description available]medium10stilbenoid
zd 6474[no description available]medium10aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine		antineoplastic agent;
tyrosine kinase inhibitor
silybin[no description available]medium10
chloramine-t[no description available]medium10organic sodium saltallergen;
antifouling biocide;
disinfectant
tolcapone[no description available]medium402-nitrophenols;
benzophenones;
catechols		antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
dinoprost[no description available]high20monocarboxylic acid;
prostaglandins Falpha		human metabolite;
mouse metabolite
beta carotene[no description available]high20carotenoid beta-end derivative;
cyclic carotene		antioxidant;
biological pigment;
cofactor;
ferroptosis inhibitor;
human metabolite;
mouse metabolite;
plant metabolite;
provitamin A
clavulanic acid[no description available]medium10oxapenamantibacterial drug;
anxiolytic drug;
bacterial metabolite;
EC 3.5.2.6 (beta-lactamase) inhibitor
oxymetholone[no description available]medium20
montelukast[no description available]medium60aliphatic sulfide;
monocarboxylic acid;
quinolines		anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist
mycophenolate mofetil[no description available]medium20carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound		anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug
entacapone[no description available]medium402-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
astaxanthine[no description available]medium10carotenol;
carotenone		animal metabolite;
anticoagulant;
antioxidant;
food colouring;
plant metabolite
diosmin[no description available]medium10dihydroxyflavanone;
disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
rutinoside		anti-inflammatory agent;
antioxidant
cynarine[no description available]medium20alkyl caffeate ester;
quinic acid		plant metabolite
sdz psc 833[no description available]medium10homodetic cyclic peptide
coenzyme q10[no description available]medium10ubiquinonesantioxidant;
ferroptosis inhibitor;
human metabolite
ozagrel[no description available]medium10cinnamic acids
pitavastatin[no description available]medium20cyclopropanes;
dihydroxy monocarboxylic acid;
monofluorobenzenes;
quinolines;
statin (synthetic)		antioxidant
alatrofloxacin mesylate[no description available]medium20
natamycin[no description available]medium10antibiotic antifungal drug;
dicarboxylic acid monoester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyene antibiotic		antifungal agrochemical;
antimicrobial food preservative;
apoptosis inducer;
bacterial metabolite;
ophthalmology drug
acitretin[no description available]medium40acitretin;
alpha,beta-unsaturated monocarboxylic acid;
retinoid		keratolytic drug
dothiepin[no description available]medium10dothiepin
levetiracetam[no description available]medium20pyrrolidin-2-onesanticonvulsant;
environmental contaminant;
xenobiotic
sirolimus[no description available]medium30antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol		antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
alvocidib[no description available]medium10dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound		antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
seocalcitol[no description available]medium10
fenretinide[no description available]medium10monocarboxylic acid amide;
retinoid		antineoplastic agent;
antioxidant
geldanamycin[no description available]medium101,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound		antimicrobial agent;
antineoplastic agent;
antiviral agent;
cysteine protease inhibitor;
Hsp90 inhibitor
demycarosylturimycin h[no description available]medium10
iloprost[no description available]medium10carbobicyclic compound;
monocarboxylic acid;
secondary alcohol		platelet aggregation inhibitor;
vasodilator agent
furazolidone[no description available]medium30
semaxinib[no description available]medium10olefinic compound;
oxindoles;
pyrroles		angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
orantinib[no description available]medium10
molsidomine[no description available]medium10ethyl ester;
morpholines;
oxadiazole;
zwitterion		antioxidant;
apoptosis inhibitor;
cardioprotective agent;
nitric oxide donor;
vasodilator agent
nitrofurazone[no description available]medium10
bleomycin[no description available]medium20bleomycinantineoplastic agent;
metabolite
enalaprilat anhydrous[no description available]medium20dicarboxylic acid;
dipeptide		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
imidapril[no description available]medium10dicarboxylic acid monoester;
dipeptide;
ethyl ester;
imidazolidines;
N-acylurea;
secondary amino compound		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
prodrug
ximelagatran[no description available]medium30amidoxime;
azetidines;
carboxamide;
ethyl ester;
hydroxylamines;
secondary amino compound;
secondary carboxamide;
tertiary carboxamide		anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug;
serine protease inhibitor
guanabenz acetate[no description available]medium10dichlorobenzenegeroprotector
proguanil[no description available]medium10biguanides;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
rifamycin sv[no description available]medium20acetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterotetracyclic compound;
polyphenol;
rifamycins		antimicrobial agent;
antitubercular agent;
bacterial metabolite
epoprostenol sodium[no description available]medium10prostanoid
ixabepilone[no description available]medium201,3-thiazoles;
beta-hydroxy ketone;
epoxide;
lactam;
macrocycle		antineoplastic agent;
microtubule-destabilising agent
azlocillin[no description available]medium10penicillin allergen;
penicillin;
semisynthetic derivative		antibacterial drug
dantrolene sodium[no description available]medium30
nifurtimox[no description available]medium10nitrofuran antibiotic
roxithromycin[no description available]medium10roxithromycinenvironmental contaminant;
xenobiotic
beraprost[no description available]medium10enyne;
monocarboxylic acid;
organic heterotricyclic compound;
secondary alcohol;
secondary allylic alcohol		anti-inflammatory agent;
antihypertensive agent;
platelet aggregation inhibitor;
prostaglandin receptor agonist;
vasodilator agent
lanreotide[no description available]medium10
lu 208075[no description available]medium20diarylmethane
acetylcarnitine[no description available]medium10O-acetylcarnitine;
saturated fatty acyl-L-carnitine		human metabolite;
Saccharomyces cerevisiae metabolite
nifurtoinol[no description available]medium10hydrazone;
imidazolidine-2,4-dione;
nitrofuran antibiotic;
organonitrogen heterocyclic antibiotic		antibacterial drug;
antiinfective agent;
hepatotoxic agent
eflucimibe[no description available]medium10
etomoxir[no description available]medium20aromatic ether
pentagastrin[no description available]medium30organic molecular entity
gentamicin sulfate[no description available]medium20
azd 6244[no description available]medium10benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
vinflunine[no description available]medium10acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
semisynthetic derivative;
vinca alkaloid		antineoplastic agent
baci-im[no description available]medium40homodetic cyclic peptide;
polypeptide;
zwitterion		antibacterial agent;
antimicrobial agent
pf 03491390[no description available]medium10
tannins[no description available]medium10tannin
cerivastatin sodium[no description available]medium10organic sodium salt;
statin (synthetic)
monensin[no description available]medium10
oxacillin sodium[no description available]medium10organic sodium salt
sodium diatrizoate[no description available]medium10organic sodium salt;
organoiodine compound		radioopaque medium
ascorbic acid[no description available]medium90ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
chlortetracycline[no description available]medium20
oxytetracycline, anhydrous[no description available]medium20
dicumarol[no description available]medium10hydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist
acenocoumarol[no description available]medium30C-nitro compound;
hydroxycoumarin;
methyl ketone		anticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
mobic[no description available]medium301,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
mobiflex[no description available]medium10heteroaryl hydroxy compound;
monocarboxylic acid amide;
pyridines;
thienothiazine		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
phenprocoumon[no description available]medium10hydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
rolitetracycline[no description available]medium10
lornoxicam[no description available]medium10heteroaryl hydroxy compound;
monocarboxylic acid amide;
organochlorine compound;
pyridines;
thienothiazine		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
ajmaline[no description available]medium10
entecavir[no description available]medium202-aminopurines;
oxopurine;
primary alcohol;
secondary alcohol		antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
inosine[no description available]medium10inosines;
purines D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
folic acid[no description available]medium50folic acids;
N-acyl-amino acid		human metabolite;
mouse metabolite;
nutrient
dacarbazine[no description available]medium40dacarbazine
sildenafil[no description available]medium20piperazines;
pyrazolopyrimidine;
sulfonamide		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
oxypurinol[no description available]medium10pyrazolopyrimidinedrug metabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor
raltitrexed[no description available]medium10N-acyl-amino acid
alanosine[no description available]medium10
tirapazamine[no description available]medium10aromatic amine;
benzotriazines;
N-oxide		antibacterial agent;
antineoplastic agent;
apoptosis inducer
int-777[no description available]medium100
ethylene dichloride[no description available]medium20chloroethaneshepatotoxic agent;
mutagen;
non-polar solvent
hexachlorocyclohexane[no description available]medium20chlorocyclohexane
melatonin[no description available]medium20acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
2,4-dinitrophenol[no description available]medium20dinitrophenolallergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation inhibitor
3-methylcholanthrene[no description available]medium20ortho- and peri-fused polycyclic arenearyl hydrocarbon receptor agonist;
carcinogenic agent
bithionol[no description available]medium20aryl sulfide;
bridged diphenyl antifungal drug;
bridged diphenyl fungicide;
dichlorobenzene;
organochlorine pesticide;
polyphenol		antifungal agrochemical;
antiplatyhelmintic drug
candesartan[no description available]medium40benzimidazolecarboxylic acid;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
ciglitazone[no description available]medium20aromatic ether;
thiazolidinone		antineoplastic agent;
insulin-sensitizing drug
cromolyn[no description available]medium20chromones;
dicarboxylic acid		anti-asthmatic drug;
calcium channel blocker
diethylcarbamazine[no description available]medium20N-carbamoylpiperazine;
N-methylpiperazine
dimercaprol[no description available]medium30dithiol;
primary alcohol		chelator
donepezil[no description available]medium30aromatic ether;
indanones;
piperidines;
racemate		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent
ethosuximide[no description available]medium30dicarboximide;
pyrrolidinone		anticonvulsant;
geroprotector;
T-type calcium channel blocker
carbonyl cyanide p-trifluoromethoxyphenylhydrazone[no description available]medium20aromatic ether;
hydrazone;
nitrile;
organofluorine compound		ATP synthase inhibitor;
geroprotector;
ionophore
fipexide[no description available]medium30benzodioxoles
fluspirilene[no description available]medium20diarylmethane
hycanthone[no description available]medium20thioxanthenesmutagen;
schistosomicide drug
isocarboxazid[no description available]medium30benzenes
meclofenamate sodium anhydrous[no description available]medium20organic sodium salt
memantine[no description available]medium40adamantanes;
primary aliphatic amine		antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist
methapyrilene[no description available]medium20ethylenediamine derivativeanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative
nocodazole[no description available]medium20aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes		antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator
metolazone[no description available]medium30organochlorine compound;
quinazolines;
sulfonamide		antihypertensive agent;
diuretic;
ion transport inhibitor
nomifensine[no description available]medium30isoquinolinesdopamine uptake inhibitor
oxibendazole[no description available]medium20benzimidazoles;
carbamate ester
4-dichlorobenzene[no description available]medium20dichlorobenzeneinsecticide
pargyline[no description available]medium20aromatic amine
perhexiline[no description available]medium30piperidinescardiovascular drug
pioglitazone[no description available]medium150aromatic ether;
pyridines;
thiazolidinediones		antidepressant;
cardioprotective agent;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hypoglycemic agent;
insulin-sensitizing drug;
PPARgamma agonist;
xenobiotic
raloxifene[no description available]medium301-benzothiophenes;
aromatic ketone;
N-oxyethylpiperidine;
phenols		bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
sulfabenzamide[no description available]medium20benzenes;
sulfonamide antibiotic;
sulfonamide		antibacterial drug;
antimicrobial drug
tolmetin[no description available]medium30aromatic ketone;
monocarboxylic acid;
pyrroles		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug
pirinixic acid[no description available]medium40aryl sulfide;
organochlorine compound;
pyrimidines
oxyphenonium[no description available]medium20acylcholine
isoproterenol hydrochloride[no description available]medium20catechols
promazine hydrochloride[no description available]medium20hydrochloride
2-acetylaminofluorene[no description available]medium102-acetamidofluorenesantimitotic;
carcinogenic agent;
epitope;
mutagen
idoxuridine[no description available]medium20organoiodine compound;
pyrimidine 2'-deoxyribonucleoside		antiviral drug;
DNA synthesis inhibitor
isonicotinic acid[no description available]medium10pyridinemonocarboxylic acidalgal metabolite;
human metabolite
promethazine hydrochloride[no description available]medium20hydrochlorideanti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
geroprotector;
H1-receptor antagonist;
local anaesthetic;
sedative
acetylcholine chloride[no description available]medium30quaternary ammonium salt
methoxamine hydrochloride[no description available]medium20dimethoxybenzene
dimethylnitrosamine[no description available]medium30nitrosaminegeroprotector;
mutagen
primaquine phosphate[no description available]medium20
gallamine triethiodide[no description available]medium20
uracil mustard[no description available]medium20aminouracil;
nitrogen mustard
dimethylformamide[no description available]medium20formamides;
volatile organic compound		geroprotector;
hepatotoxic agent;
polar aprotic solvent
tromethamine[no description available]medium30primary amino compound;
triol		buffer
hexachlorobutadiene[no description available]medium10organochlorine compound
2-bromophenol[no description available]medium20bromophenolmarine metabolite
3-dinitrobenzene[no description available]medium10dinitrobenzeneneurotoxin
pyridostigmine bromide[no description available]medium20pyridinium salt
4,4'-diaminodiphenylmethane[no description available]medium20aromatic amineallergen;
carcinogenic agent
phenylisothiocyanate[no description available]medium20isothiocyanateallergen;
reagent
2-bromoethylamine[no description available]medium20
allyl alcohol[no description available]medium20primary allylic alcohol;
propenol		antibacterial agent;
fungicide;
herbicide;
insecticide;
plant metabolite
imipramine hydrochloride[no description available]medium20hydrochlorideantidepressant
edrophonium chloride[no description available]medium20chloride salt;
quaternary ammonium salt		antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor
di-n-pentyl phthalate[no description available]medium20diester;
phthalate ester		plasticiser
phenazopyridine hydrochloride[no description available]medium20hydrochloridecarcinogenic agent;
local anaesthetic;
non-narcotic analgesic
tetrracaine hydrochloride[no description available]medium20benzoate ester
diphenhydramine hydrochloride[no description available]medium40hydrochloride;
organoammonium salt		anti-allergic agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
sedative
tripelennamine hydrochloride[no description available]medium20
ethynodiol diacetate[no description available]medium30steroid ester;
terminal acetylenic compound		contraceptive drug;
estrogen receptor modulator;
synthetic oral contraceptive
hydrazine[no description available]medium20azane;
hydrazines		EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
monocrotaline[no description available]medium40pyrrolizidine alkaloid
pseudoephedrine hydrochloride[no description available]medium20hydrochlorideplant metabolite
procarbazine hydrochloride[no description available]medium20hydrochlorideantineoplastic agent
amitriptyline hydrochloride[no description available]medium20organic tricyclic compound
1-naphthylisothiocyanate[no description available]medium40isothiocyanateinsecticide
isoxsuprine hydrochloride[no description available]medium20alkylbenzene
betaine hydrochloride[no description available]medium20
3-hydroxyacetanilide[no description available]medium20acetamides;
phenols		non-narcotic analgesic
methoxyacetic acid[no description available]medium20ether;
monocarboxylic acid		antineoplastic agent;
apoptosis inducer;
human xenobiotic metabolite;
mutagen
cyproheptadine hydrochloride (anhydrous)[no description available]medium20hydrochloride
ibufenac[no description available]medium30monocarboxylic acidEC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
2,3,7,8-tetrachlorodibenzodioxine[no description available]medium10polychlorinated dibenzodioxine
paraquat[no description available]medium30organic cationgeroprotector;
herbicide
clonidine hydrochloride[no description available]medium20dichlorobenzene
ethylene dimethanesulfonate[no description available]medium20
mexiletine hydrochloride[no description available]medium20hydrochlorideanti-arrhythmia drug
beclomethasone dipropionate[no description available]medium2011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
enone;
glucocorticoid;
propanoate ester;
steroid ester		anti-arrhythmia drug;
anti-asthmatic drug;
anti-inflammatory drug;
prodrug
metoclopramide hydrochloride[no description available]medium20
carbendazim[no description available]medium20benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		antifungal agrochemical;
antinematodal drug;
metabolite;
microtubule-destabilising agent
ethionine[no description available]medium30S-ethylhomocysteineantimetabolite;
carcinogenic agent
disopyramide phosphate[no description available]medium20organoammonium phosphate
moricizine hydrochloride[no description available]medium20hydrochlorideanti-arrhythmia drug
serentil[no description available]medium20organosulfonate saltdopaminergic antagonist;
first generation antipsychotic
propafenone hydrochloride[no description available]medium20hydrochlorideanti-arrhythmia drug
carbidopa[no description available]medium20catechols;
hydrate;
hydrazines;
monocarboxylic acid		antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
cephradine[no description available]medium30beta-lactam antibiotic allergen;
cephalosporin		antibacterial drug
nonachlazine[no description available]medium10
flecainide acetate[no description available]medium20acetate saltanti-arrhythmia drug
nicardipine hydrochloride[no description available]medium20dihydropyridinegeroprotector
indacrinone[no description available]medium20
butoconazole nitrate[no description available]medium20aryl sulfide;
conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
organic nitrate salt
fialuridine[no description available]medium30
mitoxantrone hydrochloride[no description available]medium20hydrochlorideantineoplastic agent
bambuterol[no description available]medium20carbamate ester;
phenylethanolamines		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
prodrug;
sympathomimetic agent;
tocolytic agent
alpidem[no description available]medium40imidazoles
temafloxacin[no description available]medium20amino acid;
monocarboxylic acid;
N-arylpiperazine;
organofluorine compound;
quinolone antibiotic;
quinolone;
secondary amino compound;
tertiary amino compound
clinafloxacin[no description available]medium20quinolines
mibefradil[no description available]medium20tetralinsT-type calcium channel blocker
tasosartan[no description available]medium30biphenyls
saquinavir monomethanesulfonate[no description available]medium20organic molecular entity
allyl formate[no description available]medium20
desferrioxamine b mesylate[no description available]medium20methanesulfonate saltantidote;
ferroptosis inhibitor;
iron chelator
bupropion hydrochloride[no description available]medium20aromatic ketone
trazodone hydrochloride[no description available]medium100hydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
trazodone hydrochloride[no description available]medium102hydrochlorideadrenergic antagonist;
antidepressant;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
trovafloxacin[no description available]medium30
verapamil hydrochloride[no description available]medium20
ciprofloxacin hydrochloride anhydrous[no description available]medium20hydrochlorideantibacterial drug;
antiinfective agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
amantadine hydrochloride[no description available]medium20hydrochlorideantiviral agent;
dopamine agonist;
NMDA receptor antagonist
dobutamine hydrochloride[no description available]medium20hydrochloridebeta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent
sulconazole, mononitrate, (+-)-isomer[no description available]medium20conazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt
trimethobenzamide monohydrochloride[no description available]medium20
amiloride hydrochloride[no description available]medium20hydratediuretic;
sodium channel blocker
econazole nitrate[no description available]medium20
lomefloxacin hydrochloride[no description available]medium20hydrochlorideantimicrobial agent;
antitubercular agent;
photosensitizing agent
flunoxaprofen[no description available]medium201,3-benzoxazoles;
monocarboxylic acid;
organofluorine compound		antirheumatic drug;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
protein kinase C agonist
tianeptine[no description available]medium20dibenzothiazepine;
monocarboxylic acid;
organochlorine compound
loperamide hydrochloride[no description available]medium20hydrochlorideanticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist
grepafloxacin[no description available]medium20fluoroquinolone antibiotic;
quinolines;
quinolone antibiotic
2-naphthylisothiocyanate[no description available]medium20
chloroquine diphosphate[no description available]medium20
orphenadrine citrate[no description available]medium20citrate saltH1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
ketorolac tromethamine[no description available]medium20organoammonium saltanalgesic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor
n-(3,5-dichlorophenyl)succinimide[no description available]medium20pyrrolidines
phentolamine mesylate[no description available]medium20
oxybutynin hydrochloride[no description available]medium20hydrochloride
1-cyano-2-hydroxy-3-butene[no description available]medium10secondary alcohol
cordium[no description available]medium20hydrate;
hydrochloride
dilevalol[no description available]medium102-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide
nsc-141549[no description available]medium20
aflatoxin b1[no description available]medium20aflatoxin;
aromatic ether;
aromatic ketone		carcinogenic agent;
human metabolite
fludrocortisone acetate[no description available]medium2011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
fluorinated steroid;
mineralocorticoid;
tertiary alpha-hydroxy ketone
vincristine sulfate[no description available]medium20organic sulfate saltantineoplastic agent;
geroprotector
acivicin[no description available]medium20isoxazoles;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		antileishmanial agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor;
glutamine antagonist;
metabolite
puromycin[no description available]medium20puromycinsantiinfective agent;
antimicrobial agent;
antineoplastic agent;
EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor;
EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor;
nucleoside antibiotic;
protein synthesis inhibitor
(+)-limonene[no description available]medium20limoneneplant metabolite
moxalactam disodium[no description available]medium20
abacavir[no description available]medium302,6-diaminopurinesantiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor
mometasone furoate[no description available]medium2011beta-hydroxy steroid;
2-furoate ester;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
organochlorine compound;
steroid ester		anti-allergic agent;
anti-inflammatory drug
nortriptyline hydrochloride[no description available]medium20organic tricyclic compoundgeroprotector
kanamycin sulfate[no description available]medium20aminoglycoside sulfate saltantibacterial drug;
geroprotector
paromomycin sulfate[no description available]medium20
chloramphenicol palmitate[no description available]medium20hexadecanoate ester
calcium pantothenate[no description available]medium20polymer
maleic acid[no description available]medium20butenedioic acidalgal metabolite;
mouse metabolite;
plant metabolite
cyanoginosin lr[no description available]medium20microcystinbacterial metabolite;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
environmental contaminant;
xenobiotic
azaserine[no description available]medium20carboxylic ester;
diazo compound;
L-serine derivative;
non-proteinogenic L-alpha-amino acid		antifungal agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
glutamine antagonist;
immunosuppressive agent;
metabolite
arsenic trioxide[no description available]medium30arsenic oxideantineoplastic agent;
insecticide
idarubicin hydrochloride[no description available]medium20anthracycline
carbenoxolone sodium[no description available]medium40triterpenoid
(1R,2S)-tranylcypromine hydrochloride[no description available]medium20hydrochloride
thioacetamide[no description available]medium30thiocarboxamidehepatotoxic agent
retinol palmitate[no description available]medium20all-trans-retinyl ester;
retinyl palmitate		antioxidant;
Escherichia coli metabolite;
human xenobiotic metabolite
eprosartan[no description available]medium30dicarboxylic acid;
imidazoles;
thiophenes		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
timolol maleate[no description available]medium20maleate saltanti-arrhythmia drug;
antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist
brompheniramine maleate[no description available]medium20maleate saltanti-allergic agent
chlorpheniramine maleate[no description available]medium20organic molecular entity
clemastine fumarate[no description available]medium20fumarate saltanti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist
methylergonovine maleate[no description available]medium20ergoline alkaloidgeroprotector
estradiol-17 beta-glucuronide[no description available]medium203-hydroxy steroid;
steroid glucosiduronic acid
cis-flupenthixol dihydrochloride[no description available]medium10hydrochloridegeroprotector
phenoxybenzamine hydrochloride[no description available]medium20organic molecular entity
octylmethoxycinnamate[no description available]medium20cinnamate ester
vinblastine sulfate[no description available]medium20
trientine hydrochloride[no description available]medium30
dextromethorphan hydrobromide[no description available]medium20hydrate;
hydrobromide
fenoterol[no description available]medium20hydrobromidebeta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent
enclomiphene citrate[no description available]medium10
diphenoxylate hydrochloride[no description available]medium20hydrochlorideantidiarrhoeal drug
ergonovine maleate[no description available]medium20maleate saltdiagnostic agent;
oxytocic
molindone hydrochloride[no description available]medium20indoles
cytidine diphosphate choline[no description available]medium20nucleotide-(amino alcohol)s;
phosphocholines		human metabolite;
mouse metabolite;
neuroprotective agent;
psychotropic drug;
Saccharomyces cerevisiae metabolite
clindamycin hydrochloride[no description available]medium20S-glycosyl compound
quinine sulfate[no description available]medium20hydrate
cefotiam hydrochloride[no description available]medium20
potassium aminobenzoate[no description available]medium20
methicillin sodium[no description available]medium20organic sodium salt
nafcillin sodium[no description available]medium20organic sodium salt
penicillin g sodium[no description available]medium20organic sodium salt
cefamandole nafate[no description available]medium20organic sodium saltantibacterial drug
cephapirin sodium[no description available]medium20cephalosporin;
organic sodium salt		antibacterial drug
sodium cephalothin[no description available]medium20organic sodium salt
dicloxacillin sodium[no description available]medium20hydrate
azlocillin sodium[no description available]medium20organic sodium salt
isoxicam[no description available]medium20benzothiazine;
isoxazoles;
monocarboxylic acid amide		antirheumatic drug;
non-steroidal anti-inflammatory drug
chlortetracycline hydrochloride[no description available]medium20
methacycline monohydrochloride[no description available]medium20
minocycline hydrochloride[no description available]medium20
demeclocycline hydrochloride[no description available]medium20
citrovorum factor[no description available]medium30tetrahydrofolic acid
ursocholic acid[no description available]medium9012alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7beta-hydroxy steroid;
bile acid;
C24-steroid;
trihydroxy-5beta-cholanic acid		EC 1.1.1.159 (7alpha-hydroxysteroid dehydrogenase) inhibitor;
human urinary metabolite
ursocholic acid[no description available]medium9112alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7beta-hydroxy steroid;
bile acid;
C24-steroid;
trihydroxy-5beta-cholanic acid		EC 1.1.1.159 (7alpha-hydroxysteroid dehydrogenase) inhibitor;
human urinary metabolite
Deoxycholic acid methyl ester[no description available]medium10cholanoid
7-ketolithocholic acid[no description available]high2003alpha-hydroxy steroid;
bile acid;
monohydroxy-5beta-cholanic acid;
oxo-5beta-cholanic acid		human metabolite
12-ketolithocholic acid[no description available]medium20bile acid
sulfobromophthalein[no description available]medium1502-benzofurans;
organobromine compound;
organosulfonic acid;
phenols		dye
telenzepine[no description available]medium10benzodiazepine
diquat[no description available]medium10organic cationdefoliant;
herbicide
n-pentanoic acid[no description available]medium10short-chain fatty acid;
straight-chain saturated fatty acid		plant metabolite
tolrestat[no description available]medium20naphthalenesEC 1.1.1.21 (aldehyde reductase) inhibitor
diltiazem hydrochloride[no description available]medium10hydrochlorideantihypertensive agent;
calcium channel blocker;
vasodilator agent
cox 189[no description available]medium20amino acid;
monocarboxylic acid;
organochlorine compound;
organofluorine compound;
secondary amino compound		cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
olmesartan[no description available]medium10biphenylyltetrazoleangiotensin receptor antagonist;
antihypertensive agent
lapatinib[no description available]medium30furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor
indinavir sulfate[no description available]medium10azaheterocycle sulfate salt
ampicillin sodium[no description available]medium10organic sodium salt
sudoxicam[no description available]medium10
rutamarin[no description available]medium10psoralens
dihydrocapsaicin[no description available]medium10capsaicinoid
ganoderiol f[no description available]medium10triterpenoid
Ganodermanontriol[no description available]medium10triterpenoidmetabolite
artemetin[no description available]medium10ether;
flavonoids
ergosterol-5,8-peroxide[no description available]medium103beta-sterol;
ergostanoid;
organic peroxide;
phytosterols		antimycobacterial drug;
antineoplastic agent;
metabolite;
trypanocidal drug
rifaximin[no description available]medium20acetate ester;
cyclic ketal;
lactam;
macrocycle;
organic heterohexacyclic compound;
rifamycins;
semisynthetic derivative		antimicrobial agent;
gastrointestinal drug;
orphan drug
atractylenolide iii[no description available]medium10naphthofuranmetabolite
atractylenolide i[no description available]medium10
atractylenolide ii[no description available]medium10sesquiterpene lactone
4-phenylbutyric acid[no description available]medium20monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug
taurocholic acid, monosodium salt[no description available]medium10bile salt
a-130a[no description available]medium10
aurapten[no description available]medium10coumarins;
monoterpenoid		antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
dopaminergic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
gamma-secretase modulator;
gastrointestinal drug;
hepatoprotective agent;
matrix metalloproteinase inhibitor;
neuroprotective agent;
plant metabolite;
PPARalpha agonist;
vulnerary
collinin[no description available]medium10
lacinartin[no description available]medium10
4-hydroxycordoin[no description available]medium10aromatic ether;
chalcones;
polyphenol		anti-inflammatory agent;
antibacterial agent;
plant metabolite
o-geranylsinapyl alcohol[no description available]medium10
nelumal a[no description available]medium10
4'-geranyloxyferulic acid[no description available]medium10
6-amino-1-hydroxyhexane-1,1-diphosphonate[no description available]medium101,1-bis(phosphonic acid)
alisol b[no description available]medium20triterpenoid
diminazene[no description available]medium10carboxamidine;
triazene derivative		antiparasitic agent;
trypanocidal drug
dapi[no description available]medium20indolesfluorochrome
papaverine[no description available]medium40benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent
imatinib[no description available]medium30aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines		antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
hydroxystilbamidine[no description available]medium10
dextrorphan[no description available]medium10morphinane alkaloid
oxybutynin[no description available]medium20acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound		antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic
brompheniramine[no description available]medium20organobromine compound;
pyridines		anti-allergic agent;
H1-receptor antagonist
clobetasol propionate[no description available]medium1011beta-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
fluorinated steroid;
glucocorticoid		anti-inflammatory drug
sorafenib[no description available]medium20(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide		angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor
cp 724714[no description available]medium102-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamideantineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
hepatotoxic agent
isoursodeoxycholic acid[no description available]high10dihydroxy-5beta-cholanic acidhuman metabolite
cinchonine[no description available]medium10(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite
cinchonidine[no description available]medium10(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite
benzonidazole[no description available]medium10C-nitro compound;
imidazoles;
monocarboxylic acid amide		antiprotozoal drug
calcitroic acid[no description available]medium10hydroxycalciol
alaproclate[no description available]medium10alpha-amino acid ester
alosetron[no description available]medium10imidazoles;
pyridoindole		antiemetic;
gastrointestinal drug;
serotonergic antagonist
ambenonium[no description available]medium10quaternary ammonium ionEC 3.1.1.8 (cholinesterase) inhibitor
diatrizoic acid[no description available]medium10acetamides;
benzoic acids;
organoiodine compound		environmental contaminant;
radioopaque medium;
xenobiotic
bethanechol[no description available]medium10carbamate ester;
quaternary ammonium ion		muscarinic agonist
biperiden[no description available]medium10piperidines;
tertiary alcohol;
tertiary amino compound		antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic
bisacodyl[no description available]medium20diarylmethane
secbutabarbital[no description available]medium10barbiturates
carbinoxamine[no description available]medium10monochlorobenzenes;
pyridines;
tertiary amino compound		anti-allergic agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist
chlorcyclizine[no description available]medium10diarylmethane
chlorothiazide[no description available]medium10benzothiadiazineantihypertensive agent;
diuretic
chlorthalidone[no description available]medium10isoindoles;
monochlorobenzenes;
sulfonamide
cilostazol[no description available]medium10lactam;
tetrazoles		anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent
clonazepam[no description available]medium101,4-benzodiazepinone;
monochlorobenzenes		anticonvulsant;
anxiolytic drug;
GABA modulator
cyclofenil[no description available]medium10organic molecular entity
dichlorphenamide[no description available]medium10dichlorobenzene;
sulfonamide		antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor;
ophthalmology drug
dicyclomine[no description available]medium20carboxylic ester;
tertiary amine		antispasmodic drug;
muscarinic antagonist;
parasympatholytic
pentetic acid[no description available]medium10pentacarboxylic acidcopper chelator
doxapram[no description available]medium10morpholines;
pyrrolidin-2-ones		central nervous system stimulant
dyphylline[no description available]medium10oxopurine;
propane-1,2-diols		bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
muscle relaxant;
vasodilator agent
edrophonium[no description available]medium10phenols;
quaternary ammonium ion		antidote;
diagnostic agent;
EC 3.1.1.8 (cholinesterase) inhibitor
ethotoin[no description available]medium10imidazolidine-2,4-dioneanticonvulsant
fenoldopam[no description available]medium10benzazepinealpha-adrenergic agonist;
antihypertensive agent;
dopamine agonist;
dopaminergic antagonist;
vasodilator agent
flavoxate[no description available]medium10carboxylic ester;
flavones;
piperidines;
tertiary amino compound		antispasmodic drug;
muscarinic antagonist;
parasympatholytic
flurazepam[no description available]medium101,4-benzodiazepinone;
monofluorobenzenes;
organochlorine compound;
tertiary amino compound		anticonvulsant;
anxiolytic drug;
GABAA receptor agonist;
sedative
2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester[no description available]medium10benzenes
guaifenesin[no description available]medium70methoxybenzenes
guanethidine[no description available]medium10azocanes;
guanidines		adrenergic antagonist;
antihypertensive agent;
sympatholytic agent
guanidine[no description available]medium10carboxamidine;
guanidines;
one-carbon compound
hydroflumethiazide[no description available]medium10benzothiadiazine;
thiazide		antihypertensive agent;
diuretic
hydroxychloroquine[no description available]medium10aminoquinoline;
organochlorine compound;
primary alcohol;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
dermatologic drug
letrozole[no description available]medium20nitrile;
triazoles		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor
mecamylamine[no description available]medium10primary aliphatic amine
mechlorethamine[no description available]medium10nitrogen mustard;
organochlorine compound		alkylating agent
mepenzolate[no description available]medium10diarylmethane
mesoridazine[no description available]medium10phenothiazines;
sulfoxide;
tertiary amino compound		dopaminergic antagonist;
first generation antipsychotic
metaproterenol[no description available]medium10aralkylamino compound;
phenylethanolamines;
resorcinols;
secondary alcohol;
secondary amino compound
methazolamide[no description available]medium10sulfonamide;
thiadiazoles
methocarbamol[no description available]medium10aromatic ether;
carbamate ester;
secondary alcohol
methyclothiazide[no description available]medium10benzothiadiazine
milrinone[no description available]medium10bipyridines;
nitrile;
pyridone		cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
nadolol[no description available]medium10tetralins
naratriptan[no description available]medium10heteroarylpiperidine;
sulfonamide;
tryptamines		serotonergic agonist;
vasoconstrictor agent
phentermine[no description available]medium10primary amineadrenergic agent;
appetite depressant;
central nervous system drug;
central nervous system stimulant;
dopaminergic agent;
sympathomimetic agent
polythiazide[no description available]medium10benzothiadiazine
duodote[no description available]medium10pyridinium ionantidote to organophosphate poisoning;
antidote to sarin poisoning;
cholinergic drug;
cholinesterase reactivator
propantheline[no description available]medium20xanthenes
protriptyline[no description available]medium10carbotricyclic compoundantidepressant
pyridostigmine[no description available]medium10pyridinium ion
quetiapine[no description available]medium10dibenzothiazepine;
N-alkylpiperazine;
N-arylpiperazine		adrenergic antagonist;
dopaminergic antagonist;
histamine antagonist;
second generation antipsychotic;
serotonergic antagonist
rabeprazole[no description available]medium10benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
rizatriptan[no description available]medium10tryptaminesanti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
ropinirole[no description available]medium10indolones;
tertiary amine		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
dopamine agonist
salicylsalicylic acid[no description available]medium10benzoate ester;
benzoic acids;
phenols;
salicylates		antineoplastic agent;
antirheumatic drug;
EC 3.5.2.6 (beta-lactamase) inhibitor;
hypoglycemic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
secobarbital[no description available]medium20barbituratesanaesthesia adjuvant;
GABA modulator;
sedative
risedronic acid[no description available]medium10pyridines
succinylcholine[no description available]medium10quaternary ammonium ion;
succinate ester		drug allergen;
muscle relaxant;
neuromuscular agent
triamterene[no description available]medium10pteridinesdiuretic;
sodium channel blocker
trihexyphenidyl[no description available]medium10amine
trimethobenzamide[no description available]medium10benzamides;
tertiary amino compound		antiemetic
tyramine[no description available]high20monoamine molecular messenger;
primary amino compound;
tyramines		EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter
delavirdine[no description available]medium10aminopyridine;
indolecarboxamide;
N-acylpiperazine;
sulfonamide		antiviral drug;
HIV-1 reverse transcriptase inhibitor
zaleplon[no description available]medium10nitrile;
pyrazolopyrimidine		anticonvulsant;
anxiolytic drug;
central nervous system depressant;
sedative
zonisamide[no description available]medium101,2-benzoxazoles;
sulfonamide		anticonvulsant;
antioxidant;
central nervous system drug;
protective agent;
T-type calcium channel blocker
cysteine[no description available]medium10cysteine zwitterion;
cysteine;
L-alpha-amino acid;
proteinogenic amino acid;
serine family amino acid		EC 4.3.1.3 (histidine ammonia-lyase) inhibitor;
flour treatment agent;
human metabolite
edetic acid[no description available]medium100ethylenediamine derivative;
polyamino carboxylic acid;
tetracarboxylic acid		anticoagulant;
antidote;
chelator;
copper chelator;
geroprotector
cysteamine[no description available]high20amine;
thiol		geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent
mepazine[no description available]medium10phenothiazines
cloxacillin[no description available]medium10penicillin allergen;
penicillin;
semisynthetic derivative		antibacterial agent;
antibacterial drug
calcium acetate[no description available]medium10calcium saltchelator
mebanazine[no description available]medium10benzenes
oxacillin[no description available]medium10penicillinantibacterial agent;
antibacterial drug
cycloserine[no description available]medium104-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion		antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist
perflutren[no description available]medium10fluoroalkane;
fluorocarbon
fluoxymesterone[no description available]medium1011beta-hydroxy steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
anabolic androgenic steroid;
fluorinated steroid		anabolic agent;
antineoplastic agent
methsuximide[no description available]medium10organic molecular entity
penicillin v[no description available]medium10penicillin allergen;
penicillin
pseudoephedrine[no description available]medium10phenylethanolamines;
secondary alcohol;
secondary amino compound		anti-asthmatic drug;
bronchodilator agent;
central nervous system drug;
nasal decongestant;
plant metabolite;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
diethylpropion[no description available]medium10aromatic ketone;
tertiary amine		appetite depressant
benzonatate[no description available]medium10benzoate ester;
secondary amino compound;
substituted aniline		anaesthetic;
antitussive
methylergonovine[no description available]medium10ergoline alkaloid
galantamine[no description available]medium10benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound		antidote to curare poisoning;
cholinergic drug;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
plant metabolite
4-hydroxybutyric acid[no description available]medium104-hydroxy monocarboxylic acid;
hydroxybutyric acid		general anaesthetic;
GHB receptor agonist;
neurotoxin;
sedative
dimenhydrinate[no description available]medium10diarylmethane
sulfanilylurea[no description available]medium10benzenes;
sulfonamide
pamabrom[no description available]medium10
diphenoxylate[no description available]medium10ethyl ester;
nitrile;
piperidinecarboxylate ester;
tertiary amine		antidiarrhoeal drug
metaxalone[no description available]medium10aromatic ether
spectinomycin[no description available]medium10cyclic acetal;
cyclic hemiketal;
cyclic ketone;
pyranobenzodioxin;
secondary alcohol;
secondary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite
dexbrompheniramine[no description available]medium10brompheniramineanti-allergic agent;
H1-receptor antagonist
dicloxacillin[no description available]medium10dichlorobenzene;
penicillin		antibacterial drug
megestrol[no description available]medium2017alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
carbenicillin[no description available]medium10penicillin allergen;
penicillin		antibacterial drug
clomacran[no description available]medium10acridines
methenamine hippurate[no description available]medium10N-acylglycine
sodium thiosulfate[no description available]medium10inorganic sodium saltantidote to cyanide poisoning;
antifungal drug;
nephroprotective agent
clemastine[no description available]medium10monochlorobenzenes;
N-alkylpyrrolidine		anti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist
fenclozic acid[no description available]medium10
laxagetten 4,4'-diacetoxydiphenylpyridylemethane[no description available]medium10
fludarabine phosphate[no description available]medium10nucleoside analogue;
organofluorine compound;
purine arabinonucleoside monophosphate		antimetabolite;
antineoplastic agent;
antiviral agent;
DNA synthesis inhibitor;
immunosuppressive agent;
prodrug
alclofenac[no description available]medium10aromatic ether;
monocarboxylic acid;
monochlorobenzenes		drug allergen;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
fludrocortisone[no description available]medium1011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
fluorinated steroid;
mineralocorticoid		adrenergic agent;
anti-inflammatory drug
dexchlorpheniramine[no description available]medium10chlorphenamine
clometacin[no description available]medium10N-acylindole
carbidopa[no description available]medium10catechols;
hydrazines;
monocarboxylic acid		antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
vecuronium[no description available]medium10acetate ester;
androstane;
quaternary ammonium ion		drug allergen;
muscle relaxant;
neuromuscular agent;
nicotinic antagonist
exifone[no description available]medium10benzophenones
mefloquine[no description available]medium10[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanolantimalarial
nitazoxanide[no description available]medium20benzamides;
carboxylic ester
acarbose[no description available]medium10tetrasaccharide derivativeEC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
geroprotector;
hypoglycemic agent
haloperidol decanoate[no description available]medium10organic molecular entity
balsalazide[no description available]medium10
ranolazine[no description available]medium10aromatic amide;
monocarboxylic acid amide;
monomethoxybenzene;
N-alkylpiperazine;
secondary alcohol
aromasil[no description available]medium1017-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid		antineoplastic agent;
EC 1.14.14.14 (aromatase) inhibitor;
environmental contaminant;
xenobiotic
tiagabine[no description available]medium10beta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes		anticonvulsant;
GABA reuptake inhibitor
aripiprazole[no description available]medium10aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone		drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist
ibandronic acid[no description available]medium10
ziprasidone[no description available]medium101,2-benzisothiazole;
indolones;
organochlorine compound;
piperazines		antipsychotic agent;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
psychotropic drug;
serotonergic antagonist
zolmitriptan[no description available]medium10oxazolidinone;
tryptamines		anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
emtricitabine[no description available]medium10monothioacetal;
nucleoside analogue;
organofluorine compound;
pyrimidone		antiviral drug;
HIV-1 reverse transcriptase inhibitor
tiludronic acid[no description available]medium10organochlorine compound
tirofiban[no description available]medium10L-tyrosine derivative;
piperidines;
sulfonamide		anticoagulant;
fibrin modulating drug;
platelet glycoprotein-IIb/IIIa receptor antagonist
plerixafor[no description available]medium10azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound		anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant
oseltamivir[no description available]medium10acetamides;
amino acid ester;
cyclohexenecarboxylate ester;
primary amino compound		antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
environmental contaminant;
prodrug;
xenobiotic
histamine phosphate[no description available]medium10phosphate salthistamine agonist
tilbroquinol[no description available]medium10organohalogen compound;
quinolines
droxicam[no description available]medium10organic heterotricyclic compound;
pyridines		cyclooxygenase 1 inhibitor;
hepatotoxic agent;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor;
prodrug
ebrotidine[no description available]medium10sulfonamide
repaglinide[no description available]medium10piperidines
zoledronic acid[no description available]medium101,1-bis(phosphonic acid);
imidazoles		bone density conservation agent
acamprosate[no description available]medium10acetamides;
organosulfonic acid		environmental contaminant;
neurotransmitter agent;
xenobiotic
isaxonine[no description available]medium10aminopyrimidine
nebivolol[no description available]medium10chromanes;
diol;
organofluorine compound;
secondary alcohol;
secondary amino compound
uk 68798[no description available]medium10aromatic ether;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
potassium channel blocker
hp 873[no description available]medium101,2-benzoxazoles;
aromatic ether;
aromatic ketone;
methyl ketone;
monoamine;
organofluorine compound;
piperidines;
tertiary amino compound		dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist
fenoxypropazine[no description available]medium10aromatic ether
aceclofenac[no description available]medium10amino 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
nitrefazole[no description available]medium10imidazoles
doripenem[no description available]medium10carbapenems
rivastigmine[no description available]medium10carbamate ester;
tertiary amino compound		cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent
frovatriptan[no description available]medium10carbazoles
eletriptan[no description available]medium10indoles;
N-alkylpyrrolidine;
sulfone		non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
bexarotene[no description available]medium10benzoic acids;
naphthalenes;
retinoid		antineoplastic agent
mci 9038[no description available]medium10peptide
fulvestrant[no description available]medium1017beta-hydroxy steroid;
3-hydroxy steroid;
organofluorine compound;
sulfoxide		antineoplastic agent;
estrogen antagonist;
estrogen receptor antagonist
tadalafil[no description available]medium10benzodioxoles;
pyrazinopyridoindole		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
paliperidone[no description available]medium101,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine;
secondary alcohol
pramipexole[no description available]medium10benzothiazoles;
diamine		antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
radical scavenger
valdecoxib[no description available]medium10isoxazoles;
sulfonamide		antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
almotriptan[no description available]medium10indoles;
sulfonamide;
tertiary amine		non-steroidal anti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
desloratadine[no description available]medium10benzocycloheptapyridineanti-allergic agent;
cholinergic antagonist;
drug metabolite;
H1-receptor antagonist
desvenlafaxine[no description available]medium10cyclohexanols;
phenols;
tertiary amino compound		antidepressant;
drug metabolite;
marine xenobiotic metabolite
tamsulosin[no description available]medium105-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamidealpha-adrenergic antagonist;
antineoplastic agent
rufinamide[no description available]medium10aromatic amide;
heteroarene
dexpanthenol[no description available]medium10amino alcohol;
monocarboxylic acid amide		cholinergic drug;
provitamin
fosamprenavir[no description available]medium10sulfonamideprodrug
febuxostat[no description available]medium101,3-thiazolemonocarboxylic acid;
aromatic ether;
nitrile		EC 1.17.3.2 (xanthine oxidase) inhibitor
escitalopram[no description available]medium101-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrileantidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
10-propargyl-10-deazaaminopterin[no description available]medium10N-acyl-L-glutamic acid;
pteridines;
terminal acetylenic compound		antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
docetaxel anhydrous[no description available]medium20secondary alpha-hydroxy ketone;
tetracyclic diterpenoid		antimalarial;
antineoplastic agent;
photosensitizing agent
ertapenem[no description available]medium10carbapenemcarboxylic acid;
pyrrolidinecarboxamide		antibacterial drug
conivaptan[no description available]medium10benzazepineaquaretic;
vasopressin receptor antagonist
pralnacasan[no description available]medium10
clevidipine[no description available]medium10dihydropyridine
solifenacin[no description available]medium10isoquinolines
dexmethylphenidate[no description available]medium10methyl phenyl(piperidin-2-yl)acetateadrenergic agent
cinacalcet[no description available]medium10(trifluoromethyl)benzenes;
naphthalenes;
secondary amino compound		calcimimetic;
P450 inhibitor
lubiprostone[no description available]medium20
telbivudine[no description available]medium10pyrimidine 2'-deoxyribonucleosideantiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
anidulafungin[no description available]medium10antibiotic antifungal drug;
azamacrocycle;
echinocandin;
heterodetic cyclic peptide;
semisynthetic derivative
17 alpha-hydroxyprogesterone caproate[no description available]medium10corticosteroid hormone
varenicline[no description available]medium10
fiduxosin[no description available]medium10
etravirine[no description available]medium10aminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound		antiviral agent;
HIV-1 reverse transcriptase inhibitor
dronedarone[no description available]medium101-benzofurans;
aromatic ether;
aromatic ketone;
sulfonamide;
tertiary amino compound		anti-arrhythmia drug;
environmental contaminant;
xenobiotic
ramelteon[no description available]medium10indanes
darunavir[no description available]medium10carbamate ester;
furofuran;
sulfonamide		antiviral drug;
HIV protease inhibitor
tolvaptan[no description available]medium10benzazepine;
benzenedicarboxamide		aquaretic;
vasopressin receptor antagonist
lenalidomide[no description available]medium10aromatic amine;
dicarboximide;
isoindoles;
piperidones		angiogenesis inhibitor;
antineoplastic agent;
immunomodulator
regadenoson[no description available]medium10purine nucleoside
lacosamide[no description available]medium10N-acyl-amino acid
vincaleukoblastine[no description available]medium10acetate ester;
indole alkaloid fundamental parent;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
immunosuppressive agent;
microtubule-destabilising agent;
plant metabolite
oxytocin[no description available]medium10heterodetic cyclic peptide;
peptide hormone		oxytocic;
vasodilator agent
pancuronium[no description available]medium20acetate ester;
steroid ester		cholinergic antagonist;
muscle relaxant;
nicotinic antagonist
miglitol[no description available]medium10piperidines
linezolid[no description available]medium10acetamides;
morpholines;
organofluorine compound;
oxazolidinone		antibacterial drug;
protein synthesis inhibitor
clindamycin phosphate[no description available]medium10
eplerenone[no description available]medium103-oxo-Delta(4) steroid;
epoxy steroid;
gamma-lactone;
methyl ester;
organic heteropentacyclic compound;
oxaspiro compound;
steroid acid ester		aldosterone antagonist;
antihypertensive agent
darifenacin[no description available]medium101-benzofurans;
monocarboxylic acid amide;
pyrrolidines		antispasmodic drug;
muscarinic antagonist
octreotide[no description available]medium10
eptifibatide[no description available]medium10homodetic cyclic peptide;
macrocycle;
organic disulfide		anticoagulant;
platelet aggregation inhibitor
posaconazole[no description available]medium10aromatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles		trypanocidal drug
sr 90107[no description available]medium10
meglumine iodipamide[no description available]medium10organoammonium saltradioopaque medium
thyrotropin-releasing hormone[no description available]medium10peptide hormone;
tripeptide		human metabolite
arginine vasopressin[no description available]medium20vasopressincardiovascular drug;
hematologic agent;
mitogen
s 1033[no description available]medium10(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
pyrantel[no description available]medium101,4,5,6-tetrahydropyrimidines;
carboxamidine;
thiophenes		antinematodal drug
eszopiclone[no description available]medium10zopiclonecentral nervous system depressant;
sedative
cancidas[no description available]medium10
lincomycin[no description available]medium20carbohydrate-containing antibiotic;
L-proline derivative;
monocarboxylic acid amide;
pyrrolidinecarboxamide;
S-glycosyl compound		antimicrobial agent;
bacterial metabolite
ranitidine[no description available]medium10C-nitro compound;
furans;
organic sulfide;
tertiary amino compound		anti-ulcer drug;
drug allergen;
environmental contaminant;
H2-receptor antagonist;
xenobiotic
aplaviroc[no description available]medium10
maraviroc[no description available]medium10tropane alkaloid
nelarabine[no description available]medium10beta-D-arabinoside;
monosaccharide derivative;
purine nucleoside		antineoplastic agent;
DNA synthesis inhibitor;
prodrug
dermatan sulfate[no description available]medium10amino disaccharide;
glycosylgalactose derivative;
iduronic acids;
oligosaccharide sulfate
dolasetron[no description available]medium10indolyl carboxylic acid
fospropofol[no description available]medium10alkylbenzene
rasagiline[no description available]medium10indanes;
secondary amine;
terminal acetylenic compound		EC 1.4.3.4 (monoamine oxidase) inhibitor;
neuroprotective agent
dasatinib[no description available]medium101,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
sitagliptin[no description available]medium10triazolopyrazine;
trifluorobenzene		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic
mivacurium[no description available]medium10isoquinolines
hemabate[no description available]medium10
paricalcitol[no description available]medium10hydroxy seco-steroid;
seco-cholestane		antiparathyroid drug
triprolidine[no description available]medium10N-alkylpyrrolidine;
olefinic compound;
pyridines		H1-receptor antagonist
ethamolin[no description available]medium10long-chain fatty acid
estropipate[no description available]medium10piperazinium salt;
steroid sulfate
nabilone[no description available]medium10
vitamin k 1[no description available]medium10phylloquinones;
vitamin K		cofactor;
human metabolite;
plant metabolite
trospium chloride[no description available]medium10
benzphetamine[no description available]medium10amphetamines;
tertiary amine		adrenergic uptake inhibitor;
appetite depressant;
dopamine uptake inhibitor;
sympathomimetic agent
deamino arginine vasopressin[no description available]medium10heterodetic cyclic peptidediagnostic agent;
renal agent;
vasopressin receptor agonist
dexmedetomidine[no description available]medium10medetomidinealpha-adrenergic agonist;
analgesic;
non-narcotic analgesic;
sedative
goserelin[no description available]medium10organic molecular entity
nateglinide[no description available]medium10phenylalanine derivative
silodosin[no description available]medium10indolecarboxamide
su 11248[no description available]medium10monocarboxylic acid amide;
pyrroles		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist
verteporfin[no description available]medium10
zimeldine[no description available]medium10styrenes
n-methylscopolamine bromide[no description available]medium10
pafuramidine[no description available]medium10
pregabalin[no description available]medium10gamma-amino acidanticonvulsant;
calcium channel blocker
alvimopan anhydrous[no description available]medium10peptide
aliskiren[no description available]medium10monocarboxylic acid amide;
monomethoxybenzene		antihypertensive agent
palonosetron[no description available]medium10azabicycloalkane;
delta-lactam;
organic heterotricyclic compound		antiemetic;
serotonergic antagonist
everolimus[no description available]medium10cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol		anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
1-methyl-d-lysergic acid butanolamide[no description available]medium10ergot alkaloid;
monocarboxylic acid amide		serotonergic antagonist;
sympatholytic agent;
vasoconstrictor agent
cefdinir[no description available]medium10cephalosporin;
ketoxime		antibacterial drug
etonogestrel[no description available]medium1017beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound		contraceptive drug;
female contraceptive drug;
progestin
temsirolimus[no description available]medium10macrolide lactam
dutasteride[no description available]medium10(trifluoromethyl)benzenes;
aza-steroid;
delta-lactam		antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
bibx 1382bs[no description available]medium10substituted aniline
fesoterodine[no description available]medium10diarylmethane
gemifloxacin[no description available]medium101,8-naphthyridine derivative;
fluoroquinolone antibiotic;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
topoisomerase IV inhibitor
dexlansoprazole[no description available]medium10benzimidazoles;
sulfoxide
armodafinil[no description available]medium102-[(diphenylmethyl)sulfinyl]acetamidecentral nervous system stimulant;
eugeroic
sincalide[no description available]medium30oligopeptide
tapentadol[no description available]medium10alkylbenzene
cefditoren[no description available]medium10carboxylic acid;
cephalosporin		antibacterial drug
pazopanib[no description available]medium10aminopyrimidine;
indazoles;
sulfonamide		angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
prasugrel hydrochloride[no description available]medium10
bms 477118[no description available]medium10adamantanes;
azabicycloalkane;
monocarboxylic acid amide;
nitrile;
tertiary alcohol		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
milnacipran[no description available]medium10acetamides
scopolamine hydrobromide[no description available]medium10
bivalirudin[no description available]medium10polypeptideanticoagulant;
EC 3.4.21.5 (thrombin) inhibitor
enfuvirtide[no description available]medium10
ganirelix[no description available]medium10polypeptide
teriparatide[no description available]medium10polypeptide
salmon calcitonin[no description available]medium10heterodetic cyclic peptide;
peptide hormone;
polypeptide		bone density conservation agent;
metabolite
ly-146032[no description available]medium10heterodetic cyclic peptide;
lipopeptide antibiotic;
lipopeptide;
macrocycle;
macrolide		antibacterial drug;
bacterial metabolite;
calcium-dependent antibiotics
acetyl-2-naphthylalanyl-3-chlorophenylalanyl-1-oxohexadecyl-seryl-4-aminophenylalanyl(hydroorotyl)-4-aminophenylalanyl(carbamoyl)-leucyl-ilys-prolyl-alaninamide[no description available]medium10polypeptide
exenatide[no description available]medium10
sodium lactate[no description available]medium10lactate salt;
organic sodium salt		food acidity regulator;
food preservative
sodium iothalamate[no description available]medium10
cetrorelix[no description available]medium10oligopeptideantineoplastic agent;
GnRH antagonist
raltegravir[no description available]medium101,2,4-oxadiazole;
dicarboxylic acid amide;
hydroxypyrimidine;
monofluorobenzenes;
pyrimidone;
secondary carboxamide		antiviral drug;
HIV-1 integrase inhibitor
demeclocycline[no description available]medium10
tigecycline[no description available]medium10
fertinex[no description available]medium10
vardenafil[no description available]medium10imidazotriazine;
N-alkylpiperazine;
N-sulfonylpiperazine		EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
rifapentine[no description available]medium10N-alkylpiperazine;
N-iminopiperazine;
rifamycins		antitubercular agent;
leprostatic drug
bl 4162a[no description available]medium10imidazoquinazolineanticoagulant;
antifibrinolytic drug;
cardiovascular drug;
platelet aggregation inhibitor
tegaserod[no description available]medium10carboxamidine;
guanidines;
hydrazines;
indoles		gastrointestinal drug;
serotonergic agonist
pemetrexed[no description available]medium20N-acyl-L-glutamic acid;
pyrrolopyrimidine		antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
EC 2.1.1.45 (thymidylate synthase) inhibitor;
EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor
valganciclovir[no description available]medium10L-valyl ester;
purines		antiviral drug;
prodrug
aprepitant[no description available]medium10(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles		antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist
fosaprepitant[no description available]medium10(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
phosphoramide;
triazoles		antiemetic;
neurokinin-1 receptor antagonist;
prodrug
levomefolate calcium[no description available]medium10organic calcium saltantidepressant
archazolid a[no description available]medium10
sr 12813[no description available]medium10organic phosphonate;
phenols		pregnane X receptor agonist
gw 7647[no description available]medium20aryl sulfide;
monocarboxylic acid;
ureas		PPARalpha agonist
gw 1929[no description available]medium20benzophenones
6-(4-chlorophenyl)imidazo(2,1-b)(1,3)thiazole-5-carbaldehyde o-(3,4-dichlorobenzyl)oxime[no description available]medium10
gw0742[no description available]medium20monocarboxylic acid
ono 1078[no description available]medium10chromones
parecoxib[no description available]medium10isoxazoles;
N-sulfonylcarboxamide		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
psoralidin[no description available]medium10coumestans;
delta-lactone;
polyphenol		estrogen receptor agonist;
plant metabolite
4-amylcinnamoylanthranilic acid[no description available]medium10amidobenzoic acid;
cinnamamides;
secondary carboxamide		EC 3.1.1.4 (phospholipase A2) inhibitor;
TRP channel blocker
montelukast sodium[no description available]medium10organic sodium salt
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one[no description available]medium10chromones;
morpholines;
organochlorine compound		autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector
alisol b monoacetate[no description available]medium20triterpenoid
alisol c 23-acetate[no description available]medium10
alisol a[no description available]medium10
alisol f[no description available]medium10
alisol a 24-acetate[no description available]medium10
pregna-4,17-diene-3,16-dione[no description available]medium1503-hydroxy steroidandrogen
tak 779[no description available]medium10
gft505[no description available]medium20
dapagliflozin[no description available]medium10aromatic ether;
C-glycosyl compound;
monochlorobenzenes		hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor
ipragliflozin[no description available]medium10glycoside
mbx-8025[no description available]medium10
cenicriviroc[no description available]medium60aromatic ether;
benzazocine;
diether;
imidazoles;
secondary carboxamide;
sulfoxide		anti-HIV agent;
anti-inflammatory agent;
antirheumatic drug;
chemokine receptor 2 antagonist;
chemokine receptor 5 antagonist
empagliflozin[no description available]medium20aromatic ether;
C-glycosyl compound;
monochlorobenzenes;
tetrahydrofuryl ether		hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor
1,5-anhydro-1-(5-(4-ethoxybenzyl)-2-methoxy-4-methylphenyl)-1-thioglucitol[no description available]medium10diarylmethane
canagliflozin[no description available]medium10C-glycosyl compound;
organofluorine compound;
thiophenes		hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor
azd7687[no description available]medium10
a 769662[no description available]medium10biphenyls
4-(2-(2-chloro-4-((5-cyclopropyl-3-(2,6-dichlorophenyl)-4-isoxazolyl)methoxy)phenyl)cyclopropyl)benzoic acid[no description available]medium20
cn 100[no description available]medium10organic molecular entity
ly 255283[no description available]medium10aromatic ketone
4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]butanoic acid[no description available]medium10indanones
azilsartan[no description available]medium101,2,4-oxadiazole;
aromatic ether;
benzimidazolecarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent
cholestanol[no description available]medium663cholestanoid
alloxan[no description available]medium30pyrimidonehyperglycemic agent;
metabolite
3,7-dihydroxy-12-oxocholanoic acid[no description available]medium190oxo-5beta-cholanic acid
epichlorohydrin[no description available]medium10epoxide;
organochlorine compound
cysteinolic acid[no description available]medium20
cysteine[no description available]medium40cysteiniumfundamental metabolite
oxazoles[no description available]medium401,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
taurine[no description available]medium881amino sulfonic acid;
zwitterion		antioxidant;
Escherichia coli metabolite;
glycine receptor agonist;
human metabolite;
mouse metabolite;
nutrient;
radical scavenger;
Saccharomyces cerevisiae metabolite
hydroxyproline[no description available]medium204-hydroxyproline;
L-alpha-amino acid zwitterion		human metabolite;
mouse metabolite;
plant metabolite
coenzyme a[no description available]medium50adenosine 3',5'-bisphosphatecoenzyme;
Escherichia coli metabolite;
mouse metabolite
cystine[no description available]medium20
glycochenodeoxycholate-3-sulfate[no description available]medium517alpha-hydroxy steroid;
bile acid glycine conjugate;
steroid sulfate		metabolite
hexanoylcarnitine[no description available]medium10hexanoate ester;
O-acylcarnitine		human metabolite
citrulline[no description available]medium10amino acid zwitterion;
citrulline		Daphnia magna metabolite;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
protective agent;
Saccharomyces cerevisiae metabolite
phosphatidylcholines[no description available]medium5301,2-diacyl-sn-glycero-3-phosphocholine
salicylhydroxamic acid[no description available]medium10hydroxamic acid;
phenols		antibacterial drug;
EC 1.11.2.2 (myeloperoxidase) inhibitor;
EC 3.5.1.5 (urease) inhibitor;
trypanocidal drug
3,4,5-trimethoxybenzoic acid[no description available]medium10benzoic acids;
methoxybenzenes		human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
acetylglucosamine[no description available]medium30N-acetyl-D-glucosamineepitope
mannose[no description available]medium10D-aldohexose;
D-mannose;
mannopyranose		metabolite
sarcosine[no description available]medium10N-alkylglycine zwitterion;
N-alkylglycine;
N-methyl-amino acid;
N-methylglycines		Escherichia coli metabolite;
glycine receptor agonist;
glycine transporter 1 inhibitor;
human metabolite;
mouse metabolite
12-hydroxy-5,8,10,14-eicosatetraenoic acid[no description available]medium10
gsk5182[no description available]medium10
indoleacetic acid[no description available]medium10indole-3-acetic acids;
monocarboxylic acid		auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite
glucagon-like peptide 1[no description available]medium83
muricholic acid[no description available]medium3303alpha-hydroxy steroid;
6-hydroxy steroid;
7-hydroxy steroid;
bile acid;
C24-steroid;
trihydroxy-5beta-cholanic acid
baricitinib[no description available]medium10azetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide		anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent
isoxazoles[no description available]medium490isoxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
gkt137831[no description available]medium10
cyclosporine[no description available]medium162
acrylic acid[no description available]medium10alpha,beta-unsaturated monocarboxylic acidmetabolite
aramchol[no description available]medium30
mgl-3196[no description available]medium20
semaglutide[no description available]medium10lipopeptide;
polypeptide		anti-obesity agent;
appetite depressant;
glucagon-like peptide-1 receptor agonist;
hypoglycemic agent;
neuroprotective agent
oxyntomodulin[no description available]medium20
fibrin[no description available]medium10peptide
palladium[no description available]medium10metal allergen;
nickel group element atom;
platinum group metal atom
colestipol[no description available]medium10
cholestyramine resin[no description available]medium505
23-seleno-25-homotaurocholic acid[no description available]medium40corticosteroid hormone
7 alpha-hydroxy-4-cholesten-3-one[no description available]medium1703-oxo-Delta(4) steroid;
7alpha-hydroxy steroid;
cholestanoid		human metabolite;
mouse metabolite
7 alpha-hydroxy-4-cholesten-3-one[no description available]medium1753-oxo-Delta(4) steroid;
7alpha-hydroxy steroid;
cholestanoid		human metabolite;
mouse metabolite
glucose, (beta-d)-isomer[no description available]medium60D-glucopyranoseepitope;
mouse metabolite
liraglutide[no description available]medium61lipopeptide;
polypeptide		glucagon-like peptide-1 receptor agonist;
neuroprotective agent
linoleic acid[no description available]medium11octadecadienoic acid;
omega-6 fatty acid		algal metabolite;
Daphnia galeata metabolite;
plant metabolite
xanthohumol[no description available]medium20aromatic ether;
chalcones;
polyphenol		anti-HIV-1 agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor;
metabolite
nitrates[no description available]medium20monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species
ncx1000[no description available]medium10
alpha-linolenic acid[no description available]medium10linolenic acid;
omega-3 fatty acid		micronutrient;
mouse metabolite;
nutraceutical
8-epi-prostaglandin f2alpha[no description available]medium10F2-isoprostanebiomarker;
bronchoconstrictor agent;
vasoconstrictor agent
thromboxane a2[no description available]medium10epoxy monocarboxylic acid;
thromboxanes A		mouse metabolite
thiazoles[no description available]medium301,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene
lysine[no description available]medium100aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid		algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
triazoles[no description available]medium201,2,3-triazole
curcumin[no description available]medium30aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol		anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger
ceforanide[no description available]medium10cephalosporinantibacterial drug
beta-escin[no description available]medium20
oligonucleotides[no description available]medium30
plecanatide[no description available]medium10
nusinersen[no description available]medium20
2,4-thiazolidinedione[no description available]medium30thiazolidenedione
piperidines[no description available]medium21
defibrotide[no description available]medium10
pyrazines[no description available]medium10diazine;
pyrazines		Daphnia magna metabolite
rucaparib[no description available]medium10azepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
abt-199[no description available]medium10aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
selexipag[no description available]medium10aromatic amine;
ether;
monocarboxylic acid amide;
N-sulfonylcarboxamide;
pyrazines;
tertiary amino compound		orphan drug;
platelet aggregation inhibitor;
prodrug;
prostacyclin receptor agonist;
vasodilator agent
alectinib[no description available]medium10aromatic ketone;
morpholines;
nitrile;
organic heterotetracyclic compound;
piperidines		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
incretins[no description available]medium41
lysophosphatidic acid[no description available]medium101-acyl-sn-glycerol 3-phosphate
n,n-dimethylarginine[no description available]medium10dimethylarginine;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid		EC 1.14.13.39 (nitric oxide synthase) inhibitor
n(g),n(g')-dimethyl-l-arginine[no description available]medium10alpha-amino acid
transforming growth factor beta[no description available]medium20
arachidonic acid[no description available]medium10icosa-5,8,11,14-tetraenoic acid;
long-chain fatty acid;
omega-6 fatty acid		Daphnia galeata metabolite;
EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite;
mouse metabolite
pheophytin a[no description available]medium10
violaxanthin[no description available]medium10violaxanthinfood colouring
chlorophyll b[no description available]medium10chlorophyllcofactor
lutein[no description available]medium10carotenolfood colouring;
plant metabolite
chlorophyll a[no description available]medium10chlorophyll;
methyl ester		cofactor
cyanidin-3-o-beta-glucopyranoside[no description available]medium10
thapsigargin[no description available]medium10butyrate ester;
organic heterotricyclic compound;
sesquiterpene lactone		calcium channel blocker;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
phenyl acetate[no description available]medium70benzenes;
phenyl acetates
nad[no description available]medium90organophosphate oxoanioncofactor;
human metabolite;
hydrogen acceptor;
Saccharomyces cerevisiae metabolite
ro13-9904[no description available]medium10
cyclin d1[no description available]medium30
thromboplastin[no description available]medium10
galactosamine[no description available]medium20D-galactosamine;
primary amino compound		toxin
interleukin-8[no description available]medium50
gw 3965[no description available]medium10diarylmethane
luteolin-7-glucoside[no description available]medium10beta-D-glucoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		antioxidant;
plant metabolite
caffeic acid[no description available]medium20caffeic acidgeroprotector;
mouse metabolite
luteolin[no description available]medium103'-hydroxyflavonoid;
tetrahydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist
pyrroles[no description available]medium30pyrrole;
secondary amine
chlorine[no description available]medium140halide anion;
monoatomic chlorine		cofactor;
Escherichia coli metabolite;
human metabolite
pyrimidinones[no description available]medium10
morphine-6-glucuronide[no description available]medium10morphinane alkaloid
acetyl coenzyme a[no description available]medium20acyl-CoAacyl donor;
coenzyme;
effector;
fundamental metabolite
suvanine[no description available]medium10organic molecular entitymetabolite
c-peptide[no description available]medium33
glucagon[no description available]medium62peptide hormone
cholecystokinin[no description available]medium162
tyrosyltyrosine[no description available]medium11tyrosyltyrosineMycoplasma genitalium metabolite
trinitrobenzenesulfonic acid[no description available]medium20arenesulfonic acid;
C-nitro compound		epitope;
explosive;
reagent
betadex[no description available]medium60cyclodextrin
dx 9065a[no description available]medium10
titanium[no description available]medium30titanium group element atom
titanium dioxide[no description available]medium30titanium oxidesfood colouring
aluminum oxide[no description available]medium10
vardenafil dihydrochloride[no description available]medium10
nsc 23766[no description available]medium10hydrochlorideantiviral agent;
apoptosis inducer;
EC 3.6.5.2 (small monomeric GTPase) inhibitor;
muscarinic antagonist
elobixibat[no description available]medium20
transferrin[no description available]medium10
betazole[no description available]medium10primary amino compound;
pyrazoles		diagnostic agent;
gastrointestinal drug;
histamine agonist
fosfosal[no description available]medium10aryl phosphate
epigallocatechin gallate[no description available]medium30flavans;
gallate ester;
polyphenol		antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite
proline[no description available]medium10amino acid zwitterion;
glutamine family amino acid;
L-alpha-amino acid;
proline;
proteinogenic amino acid		algal metabolite;
compatible osmolytes;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
stachydrine[no description available]medium10alkaloid;
amino-acid betaine;
N-methyl-L-alpha-amino acid		food component;
human blood serum metabolite;
plant metabolite
nizatidine[no description available]medium10
cholest-4-en-3-one[no description available]medium203-oxo-Delta(4) steroid;
cholestanoid		human metabolite;
plant metabolite
cholest-4-en-3-one[no description available]medium213-oxo-Delta(4) steroid;
cholestanoid		human metabolite;
plant metabolite
alanine[no description available]medium30alanine zwitterion;
alanine;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid		EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
fundamental metabolite
valine[no description available]medium10L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid;
valine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
1,2-diaminobenzene[no description available]medium10phenylenediaminehydrogen donor
stilbenes[no description available]medium10stilbene
sapropterin[no description available]medium105,6,7,8-tetrahydrobiopterincoenzyme;
cofactor;
diagnostic agent;
human metabolite
terutroban[no description available]medium10
5-(4-ethylbenzylidene)-2-thioxothiazolidin-4-one[no description available]medium10
dinitrofluorobenzene[no description available]medium10C-nitro compound;
organofluorine compound		agrochemical;
allergen;
chromatographic reagent;
EC 2.7.3.2 (creatine kinase) inhibitor;
protein-sequencing agent;
spectrophotometric reagent
2,4-dinitrofluorobenzene sulfonic acid[no description available]medium10
sodium bisulfide[no description available]medium10
hydrogen sulfide[no description available]medium10gas molecular entity;
hydracid;
mononuclear parent hydride;
sulfur hydride		Escherichia coli metabolite;
genotoxin;
metabolite;
signalling molecule;
toxin;
vasodilator agent
ornithine[no description available]medium10non-proteinogenic L-alpha-amino acid;
ornithine		algal metabolite;
hepatoprotective agent;
mouse metabolite
n(g)-iminoethylornithine[no description available]medium10L-alpha-amino acid
cholanic acid[no description available]medium40cholanic acids
iberiotoxin[no description available]medium10
glucagon-like peptide 2[no description available]medium11
ovalbumin[no description available]medium10
leupeptins[no description available]medium30
benzyloxycarbonylleucyl-leucyl-leucine aldehyde[no description available]medium20amino aldehyde;
carbamate ester;
tripeptide		proteasome inhibitor
27-hydroxycholesterol[no description available]medium4026-hydroxycholesterolapoptosis inducer;
human metabolite;
mouse metabolite;
neuroprotective agent
lathosterol[no description available]medium603beta-sterol;
C27-steroid;
cholestanoid;
Delta(7)-sterol		human metabolite;
mouse metabolite
palmitic acid[no description available]medium20long-chain fatty acid;
straight-chain saturated fatty acid		algal metabolite;
Daphnia magna metabolite;
EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor;
plant metabolite
endothelin-1[no description available]medium20
glucuronic acid[no description available]medium40D-glucuronic acidalgal metabolite
concanavalin a[no description available]medium20
chenodeoxycholate sulfate conjugate[no description available]medium101
4-hydroxy-2-nonenal[no description available]medium104-hydroxynon-2-enal;
4-hydroxynonenal
nintedanib[no description available]medium10
pectins[no description available]medium40D-galactopyranuronic acid
androstenedione[no description available]medium2017-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite
oleanolic acid[no description available]medium20hydroxy monocarboxylic acid;
pentacyclic triterpenoid		plant metabolite
sitagliptin phosphate[no description available]medium11
technetium[no description available]medium10manganese group element atom
way-362450[no description available]medium20indoles
cyclic gmp[no description available]medium313',5'-cyclic purine nucleotide;
guanyl ribonucleotide		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
fibrinogen[no description available]medium10iditolfungal metabolite
artenimol[no description available]medium10
ammonium hydroxide[no description available]medium60azane;
gas molecular entity;
mononuclear parent hydride		EC 3.5.1.4 (amidase) inhibitor;
metabolite;
mouse metabolite;
neurotoxin;
NMR chemical shift reference compound;
nucleophilic reagent;
refrigerant
deuterium[no description available]medium200dihydrogen
diethylnitrosamine[no description available]medium20nitrosaminecarcinogenic agent;
hepatotoxic agent;
mutagen
cytochrome c-t[no description available]medium30
sodium dodecyl sulfate[no description available]medium41organic sodium saltdetergent;
protein denaturant
7-dehydrocholesterol[no description available]medium303beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
cholestanoid;
Delta(5),Delta(7)-sterol		human metabolite;
mouse metabolite
7-dehydrocholesterol[no description available]medium313beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
cholestanoid;
Delta(5),Delta(7)-sterol		human metabolite;
mouse metabolite
lanosterol[no description available]medium3014alpha-methyl steroid;
3beta-sterol;
tetracyclic triterpenoid		bacterial metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
gamma-sitosterol[no description available]medium703beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols		marine metabolite;
plant metabolite
cytellin[no description available]medium181
cholesta-5,8-dien-3 beta-ol[no description available]medium10steroid
ucn 1028 c[no description available]medium20
4-chloro-7-nitrobenzofurazan[no description available]medium20benzoxadiazole;
C-nitro compound;
organochlorine compound		EC 1.4.3.4 (monoamine oxidase) inhibitor;
EC 3.6.1.3 (adenosinetriphosphatase) inhibitor;
fluorescent probe;
fluorochrome
cardiovascular agents[no description available]medium10
u 0126[no description available]medium10aryl sulfide;
dinitrile;
enamine;
substituted aniline		antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent
tyrosine[no description available]medium30amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
tyrosine		EC 1.3.1.43 (arogenate dehydrogenase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical
paxilline[no description available]medium10diterpene alkaloid;
enone;
organic heterohexacyclic compound;
terpenoid indole alkaloid;
tertiary alcohol		anticonvulsant;
Aspergillus metabolite;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor;
genotoxin;
geroprotector;
mycotoxin;
Penicillium metabolite;
potassium channel blocker
7-ketodeoxycholic acid[no description available]medium607-oxo steroid;
oxo-5beta-cholanic acid
lactacystin[no description available]medium30lactam;
S-substituted L-cysteine
fexaramine[no description available]medium40biphenyls
rhodamine 6g[no description available]medium10
tramadol[no description available]medium102-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanoladrenergic uptake inhibitor;
antitussive;
capsaicin receptor antagonist;
delta-opioid receptor agonist;
kappa-opioid receptor agonist;
metabolite;
mu-opioid receptor agonist;
muscarinic antagonist;
nicotinic antagonist;
NMDA receptor antagonist;
opioid analgesic;
serotonergic antagonist;
serotonin uptake inhibitor
1-ethyl-3-(3-dimethylaminoethyl)carbodiimide[no description available]medium10
carbodiimides[no description available]medium10carbodiimide
9,10-dimethyl-1,2-benzanthracene[no description available]medium10ortho-fused polycyclic arene;
tetraphenes		carcinogenic agent
tetradecanoylphorbol acetate[no description available]medium110acetate 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
hydrogen carbonate[no description available]medium150carbon oxoanioncofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
allylamine[no description available]medium11alkylamine
1-anilino-8-naphthalenesulfonate[no description available]medium121aminonaphthalene;
naphthalenesulfonic acid		fluorescent probe
ouabain[no description available]medium3011alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone		anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite
n-acetylaspartic acid[no description available]medium10N-acetyl-L-amino acid;
N-acyl-L-aspartic acid		antioxidant;
human metabolite;
mouse metabolite;
nutraceutical;
rat metabolite
aspartic acid[no description available]medium10aspartate family amino acid;
aspartic acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
mouse metabolite;
neurotransmitter
3-nitrotyrosine[no description available]medium102-nitrophenols;
C-nitro compound;
nitrotyrosine;
non-proteinogenic alpha-amino acid
hippuric acid[no description available]medium10N-acylglycinehuman blood serum metabolite;
uremic toxin
hydrochloric acid[no description available]medium60chlorine molecular entity;
gas molecular entity;
hydrogen halide;
mononuclear parent hydride		mouse metabolite
gamma-aminobutyric acid[no description available]medium10amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid		human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule
alpha-aminopyridine[no description available]medium10
rmi 12330a[no description available]medium10
verlukast[no description available]medium10
rtki cpd[no description available]medium10
quinazolines[no description available]medium10azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinazolines
epidermal growth factor[no description available]medium30
lipid a[no description available]medium10dodecanoate ester;
lipid A;
tetradecanoate ester		Escherichia coli metabolite
rhodamine 123[no description available]medium20organic cation;
xanthene dye		fluorochrome
rifamycins[no description available]medium10
7-ketocholesterol[no description available]medium103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
7-oxo steroid;
cholestanoid		neuroprotective agent
isopropyl thiogalactoside[no description available]medium10S-glycosyl compound
trelstar[no description available]medium10
6-carboxyfluorescein[no description available]medium40monocarboxylic acid
erythrosine[no description available]medium80
dexloxiglumide[no description available]medium10glutamic acid derivative
renzapride[no description available]medium10
D-fructopyranose[no description available]medium10cyclic hemiketal;
D-fructose;
fructopyranose		sweetening agent
verticine[no description available]medium20alkaloid
skatole[no description available]medium10methylindolehuman metabolite;
mammalian metabolite
nitrites[no description available]medium20monovalent inorganic anion;
nitrogen oxoanion;
reactive nitrogen species		human metabolite
ruthenium[no description available]medium10iron group element atom;
platinum group metal atom
anhydrocyprinol[no description available]medium10
2,4,6-triaminopyrimidine[no description available]medium10aminopyrimidine
deposiston[no description available]medium10
angiotensinogen[no description available]medium10
bromodeoxyuridine[no description available]medium20pyrimidine 2'-deoxyribonucleosideantimetabolite;
antineoplastic agent
jte 522[no description available]medium101,3-oxazoles;
organofluorine compound;
sulfonamide		cyclooxygenase 2 inhibitor
nadp[no description available]medium170
phytosterols[no description available]medium91
stigmasterol[no description available]medium303beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols;
stigmastane sterol		plant metabolite
sulfur dioxide[no description available]medium10sulfur oxideEscherichia coli metabolite;
food bleaching agent;
refrigerant
rutin[no description available]medium10disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone		antioxidant;
metabolite
caprylates[no description available]medium91fatty acid anion 8:0;
straight-chain saturated fatty acid anion		human metabolite;
Saccharomyces cerevisiae metabolite
galactose[no description available]medium20D-galactose;
galactopyranose		Escherichia coli metabolite;
mouse metabolite
glycolipids[no description available]medium20
thromboxane b2[no description available]medium10thromboxanes Bhuman metabolite;
mouse metabolite
thiazolyl blue[no description available]medium10organic bromide saltcolorimetric reagent;
dye
raffinose[no description available]medium10raffinose family oligosaccharide;
trisaccharide		mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
leukotriene b4[no description available]medium10dihydroxy monocarboxylic acid;
hydroxy polyunsaturated fatty acid;
leukotriene;
long-chain fatty acid		human metabolite;
mouse metabolite;
plant metabolite;
vasoconstrictor agent
mtt formazan[no description available]medium10
formazans[no description available]medium20
angiotensin ii[no description available]medium10amino acid zwitterion;
angiotensin II		human metabolite
ag 1879[no description available]medium10aromatic amine;
monochlorobenzenes;
pyrazolopyrimidine		beta-adrenergic antagonist;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector
cascade blue[no description available]medium10aminonaphthalenefluorochrome
bay 11-7082[no description available]medium10nitrile;
sulfone		apoptosis inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
non-steroidal anti-inflammatory drug;
platelet aggregation inhibitor
org 6368[no description available]medium10
hexafluorenium[no description available]medium10quaternary ammonium salt
methysergide[no description available]medium10ergoline alkaloid
eosine yellowish-(ys)[no description available]medium10organic sodium salt;
organobromine compound		fluorochrome;
histological dye
docusate[no description available]medium10diester;
organosulfonic acid
cellulose[no description available]medium100glycoside
sodium nitrite[no description available]medium10inorganic sodium salt;
nitrite salt		antidote to cyanide poisoning;
antihypertensive agent;
antimicrobial food preservative;
food antioxidant;
poison
monooctanoin[no description available]medium811-monoglyceride;
octanoate ester;
rac-1-monoacylglycerol
limonene[no description available]medium30cycloalkene;
p-menthadiene		human metabolite
erythritol[no description available]medium20butane-1,2,3,4-tetrolantioxidant;
human metabolite;
plant metabolite
5-methyltetrahydrofolate[no description available]medium10
cerium[no description available]medium10f-block element atom;
lanthanoid atom
ceric oxide[no description available]medium10cerium molecular entity;
metal oxide
3,7-dihydroxy-7-methylcholanoic acid[no description available]medium20
resazurin[no description available]medium10phenoxazine
taurochenodeoxycholate-3-sulfate[no description available]medium20bile acid taurine conjugate
choline[no description available]medium10cholinesallergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter;
nutrient;
plant metabolite;
Saccharomyces cerevisiae metabolite
3,7,12,24-tetrahydroxycholestanoic acid[no description available]medium1012alpha-hydroxy steroid;
24-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
hydroxy monocarboxylic acid		bile acid metabolite
3,7,12-trihydroxycoprostanic acid[no description available]medium3012alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
cholestanoic acid;
hydroxy monocarboxylic acid		human metabolite
indocyanine green[no description available]medium401,1-diunsubstituted alkanesulfonate;
benzoindole;
cyanine dye
biliverdine[no description available]medium20
uridine diphosphate glucuronic acid[no description available]medium20UDP-D-glucuronic acidEscherichia coli metabolite;
human metabolite;
mouse metabolite
lactulose[no description available]medium70
simethicone[no description available]medium10
alginate, aluminium hydroxide, magnesium trisilicate, sodium bicarbonate drug combination[no description available]medium10
aluminum hydroxide, magnesium hydroxide, drug combination[no description available]medium21
tauromuricholate[no description available]medium10
phenanthrenes[no description available]medium10
fluorescein thiocarbamylethylenediamine[no description available]medium10
25-hydroxycholesterol[no description available]medium4025-hydroxy steroid;
oxysterol		human metabolite
cholest-5-ene-3 beta,26-diol[no description available]medium3026-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid;
oxysterol		EC 3.1.1.1 (carboxylesterase) inhibitor;
human metabolite
florantyrone[no description available]medium20butanone
rosanol[no description available]medium10
silver[no description available]medium10copper group element atom;
elemental silver		Escherichia coli metabolite
amaranth dye[no description available]medium10
3,7-dihydroxychol-5-enoic acid[no description available]medium60cholanoid
malonyl coenzyme a[no description available]medium10malonyl-CoAsEC 2.3.1.21 (carnitine O-palmitoyltransferase) inhibitor;
Escherichia coli metabolite;
metabolite;
mouse metabolite
1,2-dimethylhydrazine[no description available]medium10hydrazinesalkylating agent;
carcinogenic agent
dimethylhydrazines[no description available]medium20
uric acid[no description available]medium20uric acidEscherichia coli metabolite;
human metabolite;
mouse metabolite
campesterol[no description available]medium203beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C28-steroid;
phytosterols		mouse metabolite
methylnitrosourea[no description available]medium20N-nitrosoureasalkylating agent;
carcinogenic agent;
mutagen;
teratogenic agent
flavin-adenine dinucleotide[no description available]medium10flavin adenine dinucleotide;
vitamin B2		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prosthetic group
flavin mononucleotide[no description available]medium10
3,7,12-trihydroxycholestan-26-oic acid[no description available]medium6012alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
hydroxy monocarboxylic acid;
steroid acid		human metabolite
3,7-dihydroxycholestan-26-oic acid[no description available]medium90
oxalates[no description available]medium60
aldrin[no description available]medium10
cholestane-3,7,12,26-tetrol[no description available]medium1012alpha-hydroxy steroid;
26-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid		human metabolite;
mouse metabolite
3,7,12-trihydroxycoprostane[no description available]medium1012alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid		human metabolite;
mouse metabolite
sulfolithocholylglycine[no description available]medium10bile acid glycine conjugate;
steroid sulfate
adenosine diphosphate[no description available]medium10adenosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate		fundamental metabolite;
human metabolite
methyl cholate[no description available]medium10bile acid
cholylglycylamidofluorescein[no description available]medium10
1-(5-isoquinolinesulfonyl)-2-methylpiperazine[no description available]medium20isoquinolines;
N-sulfonylpiperazine		EC 2.7.11.13 (protein kinase C) inhibitor
histamine[no description available]medium20aralkylamino compound;
imidazoles		human metabolite;
mouse metabolite;
neurotransmitter
tetrodotoxin[no description available]medium10azatetracycloalkane;
oxatetracycloalkane;
quinazoline alkaloid		animal metabolite;
bacterial metabolite;
marine metabolite;
neurotoxin;
voltage-gated sodium channel blocker
taurodehydrocholate[no description available]medium10
acetylleucyl-leucyl-norleucinal[no description available]medium10aldehyde;
tripeptide		cysteine protease inhibitor
succinic acid[no description available]medium10alpha,omega-dicarboxylic acid;
C4-dicarboxylic acid		anti-ulcer drug;
fundamental metabolite;
micronutrient;
nutraceutical;
radiation protective agent
duroquinol[no description available]medium10hydroquinones;
methylbenzene		bacterial xenobiotic metabolite;
volatile oil component
1,3,7,12-tetrahydroxycholanoic acid[no description available]medium10
safingol[no description available]medium10amino alcohol
sphingosine[no description available]medium10sphing-4-eninehuman metabolite;
mouse metabolite
3,7,12-trihydroxycholest-24-enoic acid[no description available]medium10bile acid
docosanol[no description available]medium10docosanol;
long-chain primary fatty alcohol		antiviral drug;
plant metabolite
cycloheximide[no description available]medium10antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor
dihydroxycoprostane[no description available]medium203alpha-hydroxy steroid;
7alpha-hydroxy steroid		human metabolite;
mouse metabolite
tert-butylhydroperoxide[no description available]medium10alkyl hydroperoxideantibacterial agent;
oxidising agent
putrescine[no description available]medium10alkane-alpha,omega-diamineantioxidant;
fundamental metabolite
bucladesine[no description available]medium403',5'-cyclic purine nucleotide
staurosporine[no description available]medium10ammonium ion derivative
alpha-chymotrypsin[no description available]medium11
lecimibide[no description available]medium10
mevalonic acid[no description available]medium703,5-dihydroxy-3-methylpentanoic acid
mevalonolactone[no description available]medium104-hydroxy-4-methyloxan-2-onefungal metabolite;
plant metabolite
methyl tert-butyl ether[no description available]medium331etherfuel additive;
metabolite;
non-polar solvent
2-bromoacetyl-6-methoxynaphthalene[no description available]medium10
2,3,4,7,8-pentachlorodibenzofuran[no description available]medium10polychlorinated dibenzofuran
benzofurans[no description available]medium10
4-methylumbelliferyl glucuronide[no description available]medium10beta-D-glucosiduronic acid;
coumarins;
monosaccharide derivative		antineoplastic agent;
chromogenic compound;
hyaluronan synthesis inhibitor
3-hydroxy-6-cholen-24-oic acid[no description available]medium20
pituitrin[no description available]medium10
3-hydroxy-5-cholestenoic acid[no description available]medium103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
cholestanoid;
monocarboxylic acid;
steroid acid		bacterial metabolite
s-adenosylmethionine[no description available]medium20organic cation;
sulfonium compound		coenzyme;
cofactor;
human metabolite;
micronutrient;
Mycoplasma genitalium metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
thymidine[no description available]medium20pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite
podophyllin[no description available]medium10
mitopodozide[no description available]medium10lignan
technetium tc 99m lidofenin[no description available]medium10
8-bromo cyclic adenosine monophosphate[no description available]medium103',5'-cyclic purine nucleotide;
adenyl ribonucleotide;
organobromine compound		antidepressant;
protein kinase agonist
iodine[no description available]medium10halide anion;
monoatomic iodine		human metabolite
agar[no description available]medium10
mannans[no description available]medium10
platinum[no description available]medium10elemental platinum;
nickel group element atom;
platinum group metal atom
sodium hydroxide[no description available]medium10alkali metal hydroxide
dimyristoylphosphatidylcholine[no description available]medium101,2-diacyl-sn-glycero-3-phosphocholine;
phosphatidylcholine 28:0;
tetradecanoate ester		antigen;
mouse metabolite
4,4'-diisothiocyanostilbene-2,2'-disulfonic acid[no description available]medium10
malondialdehyde[no description available]medium10dialdehydebiomarker
durapatite[no description available]medium10
brij-58[no description available]medium10
cadmium[no description available]medium10cadmium molecular entity;
zinc group element atom
urobilinogen[no description available]medium10bilaneshuman metabolite
rhamnose[no description available]medium20L-rhamnose
lignin[no description available]medium31
pyranine[no description available]medium10organic sodium saltfluorochrome
neutral red[no description available]medium10hydrochlorideacid-base indicator;
dye;
two-colour indicator
2,4-dinitrothiocyanatobenzene[no description available]medium10C-nitro compound;
thiocyanates		hapten;
tolerogen
dinitrobenzenes[no description available]medium10
potassium hydroxide[no description available]medium10alkali metal hydroxide
diacetylfluorescein[no description available]medium10
cetyltrimethylammonium ion[no description available]medium10quaternary ammonium ion
flunarizine[no description available]medium10diarylmethane
thiophenes[no description available]medium10mancude organic heteromonocyclic parent;
monocyclic heteroarene;
thiophenes;
volatile organic compound		non-polar solvent
nb 598[no description available]medium10
azoxymethane[no description available]medium10
22-hydroxycholesterol[no description available]medium10cholanoid
enkephalin, leucine[no description available]medium10pentapeptide;
peptide zwitterion		analgesic;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist;
neurotransmitter;
rat metabolite
n-formylmethionine leucyl-phenylalanine[no description available]medium10tripeptide
n-formylmethionyl-methionyl-phenylalanine[no description available]medium10
isoleucine[no description available]medium10aspartate family amino acid;
isoleucine;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
asparagine[no description available]medium10amino acid zwitterion;
asparagine;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid		Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
8-hydroxyadenine[no description available]medium106-aminopurines;
heteroaryl hydroxy compound;
nucleobase analogue;
oxopurine		bacterial metabolite;
human metabolite
guanine[no description available]medium102-aminopurines;
oxopurine;
purine nucleobase		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
8-hydroxyguanine[no description available]medium10oxopurine
salicylates[no description available]medium20monohydroxybenzoateplant metabolite
aluminum[no description available]medium20boron group element atom;
elemental aluminium;
metal atom
aluminum phosphate[no description available]medium10
hydrogen[no description available]medium20elemental hydrogen;
elemental molecule;
gas molecular entity		antioxidant;
electron donor;
food packaging gas;
fuel;
human metabolite
aprindine[no description available]medium10indanes
sisomicin[no description available]medium10amino cyclitol glycoside;
aminoglycoside antibiotic;
beta-L-arabinoside;
monosaccharide derivative
limestone[no description available]medium40calcium salt;
carbonate salt;
inorganic calcium salt;
one-carbon compound		antacid;
fertilizer;
food colouring;
food firming agent
glucaric acid[no description available]medium10glucaric acidantineoplastic agent
acid phosphatase[no description available]medium10
pregnanediol[no description available]medium10
motilin[no description available]medium10
vasoactive intestinal peptide[no description available]medium20
gastrins[no description available]medium20
buformin[no description available]medium10biguanidesantineoplastic agent;
antiviral agent;
geroprotector;
hypoglycemic agent;
radiosensitizing agent
methoxamine[no description available]medium10amphetaminesalpha-adrenergic agonist;
antihypotensive agent
galactose[no description available]medium10
propane[no description available]medium10alkane;
gas molecular entity		food propellant
2,2-dimethoxypropane[no description available]medium10
diazomethane[no description available]medium10diazo compoundalkylating agent;
antineoplastic agent;
carcinogenic agent;
poison
trifluoroacetic acid[no description available]medium10fluoroalkanoic acidhuman xenobiotic metabolite;
NMR chemical shift reference compound;
reagent
ammonium sulfate[no description available]medium10ammonium salt;
inorganic sulfate salt		fertilizer
metiamide[no description available]medium10imidazoles
methylnitronitrosoguanidine[no description available]medium20nitroso compoundalkylating agent
muramidase[no description available]medium10
allocholic acid[no description available]high1012alpha-hydroxy steroid;
3alpha-hydroxy steroid;
7alpha-hydroxy steroid;
allo-bile acid;
C24-steroid		human metabolite;
marine metabolite;
rat metabolite
sepharose[no description available]medium10
elastin[no description available]medium10oligopeptide
iodohippuric acid[no description available]medium10benzamides;
N-acylglycine;
organoiodine compound
neostigmine[no description available]medium10quaternary ammonium ionantidote to curare poisoning;
EC 3.1.1.7 (acetylcholinesterase) inhibitor
glycogen[no description available]medium10
psyllium[no description available]medium22very long-chain fatty acid
16,16-dimethylprostaglandin e2[no description available]medium40cyclopentanones;
monocarboxylic acid;
prostanoid;
secondary allylic alcohol		anti-ulcer drug;
gastrointestinal drug;
radiation protective agent
fluorescein-5-isothiocyanate[no description available]medium10fluorescein isothiocyanate
3-hydroxy-3-methylglutaryl-coenzyme a[no description available]medium103-hydroxy-3-methylglutaryl-CoA;
3-hydroxy fatty acyl-CoA		human metabolite;
mouse metabolite
glycosides[no description available]medium30
amitrole[no description available]medium10aromatic amine;
triazoles		carotenoid biosynthesis inhibitor;
EC 1.11.1.6 (catalase) inhibitor;
herbicide
sodium salicylate[no description available]medium10organic molecular entity
lypressin[no description available]medium20cyclic peptide
beta-alanine[no description available]medium20amino acid zwitterion;
beta-amino acid		agonist;
fundamental metabolite;
human metabolite;
inhibitor;
neurotransmitter
1,2-dipalmitoylphosphatidylcholine[no description available]medium10
meciadanol[no description available]medium11
lysophosphatidylcholines[no description available]medium201-O-acyl-sn-glycero-3-phosphocholine
calcimycin[no description available]medium10benzoxazole
flumecinol[no description available]medium10diarylmethane
potassium cyanide[no description available]medium10cyanide salt;
one-carbon compound;
potassium salt		EC 1.15.1.1 (superoxide dismutase) inhibitor;
EC 1.9.3.1 (cytochrome c oxidase) inhibitor;
neurotoxin
rubidium[no description available]medium10alkali metal atom
barium[no description available]medium10alkaline earth metal atom;
elemental barium
vitamin k semiquinone radical[no description available]medium40
squalene[no description available]medium10triterpenehuman metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
selenomethionine[no description available]medium10selenoamino acid;
selenomethionines		plant metabolite
3,12-dihydroxy-5-cholenoic acid[no description available]medium10cholanoid
methyl methanesulfonate[no description available]medium10methanesulfonate esteralkylating agent;
apoptosis inducer;
carcinogenic agent;
genotoxin;
mutagen
4,6-cholestadien-3-one[no description available]medium103-oxo-Delta(4) steroid;
cholestanoid
ricinoleic acid[no description available]medium10(9Z)-12-hydroxyoctadec-9-enoic acid
glycyltyrosine[no description available]medium10dipeptidemetabolite
carbadox[no description available]medium10quinoxaline derivative
quinoxalines[no description available]medium10mancude organic heterobicyclic parent;
naphthyridine;
ortho-fused heteroarene
silicon[no description available]medium30carbon group element atom;
metalloid atom;
nonmetal atom
ethyl oleate[no description available]medium10long-chain fatty acid ethyl esteracaricide;
plant metabolite
n-acetylphenylalanyl-3,5-diiodotyrosine[no description available]medium10
barium sulfate[no description available]medium10barium salt;
inorganic barium salt;
metal sulfate		radioopaque medium
carbon monoxide[no description available]medium30carbon oxide;
gas molecular entity;
one-carbon compound		biomarker;
EC 1.9.3.1 (cytochrome c oxidase) inhibitor;
human metabolite;
ligand;
metabolite;
mitochondrial respiratory-chain inhibitor;
mouse metabolite;
neurotoxin;
neurotransmitter;
P450 inhibitor;
probe;
signalling molecule;
vasodilator agent
chlorine[no description available]medium10diatomic chlorine;
gas molecular entity		bleaching agent
chromium[no description available]medium10chromium group element atom;
metal allergen		micronutrient
17-ketosteroids[no description available]medium10
sulfur[no description available]medium10chalcogen;
nonmetal atom		macronutrient
phenylalanine[no description available]medium10amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
phenylalanine;
proteinogenic amino acid		algal metabolite;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
Escherichia coli metabolite;
human xenobiotic metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
phosphorus[no description available]medium10monoatomic phosphorus;
nonmetal atom;
pnictogen		macronutrient
cetylpyridinium[no description available]medium10pyridinium ion
tricalcium phosphate[no description available]medium10calcium phosphate
isomethyleugenol[no description available]medium110isomethyleugenol
benzothiazide[no description available]medium10benzothiadiazine;
sulfonamide		antihypertensive agent;
diuretic
acetylcarnitine[no description available]low00O-acylcarnitinehuman metabolite
2-oxo-3-methylvalerate[no description available]low002-oxo monocarboxylic acid;
branched-chain keto acid		human metabolite
alpha-ketoisovalerate[no description available]low002-oxo monocarboxylic acid;
branched-chain keto acid		human metabolite;
Saccharomyces cerevisiae metabolite
2,3-diphosphoglycerate[no description available]low00bisphosphoglyceric acid;
tetronic acid derivative		human metabolite
2-keto-4-methylvalerate[no description available]low002-oxo monocarboxylic acid;
branched-chain keto acid		algal metabolite;
human metabolite
3-hydroxyanthranilic acid[no description available]low00aminobenzoic acid;
monohydroxybenzoic acid		human metabolite;
mouse metabolite
3-hydroxykynurenine[no description available]low00hydroxykynureninehuman metabolite
3-oxoadipic acid[no description available]low00dicarboxylic fatty acid;
oxo dicarboxylic acid		bacterial xenobiotic metabolite;
human metabolite
3-mercaptopyruvic acid[no description available]low002-oxo monocarboxylic acid;
thiol		antidote to cyanide poisoning;
Escherichia coli metabolite;
human metabolite;
mouse metabolite
phosphoserine[no description available]low00non-proteinogenic alpha-amino acid;
O-phosphoamino acid;
serine derivative		human metabolite
3-phenylpropionic acid[no description available]low00benzenes;
monocarboxylic acid		antifungal agent;
human metabolite;
plant metabolite
4-hydroxyphenylacetic acid[no description available]low00monocarboxylic acid;
phenols		fungal metabolite;
human metabolite;
mouse metabolite;
plant metabolite
isocaproaldehyde[no description available]low00alpha-CH2-containing aldehydehuman metabolite;
mouse metabolite
aminolevulinic acid[no description available]low004-oxo monocarboxylic acid;
amino acid zwitterion;
delta-amino acid		antineoplastic agent;
dermatologic drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite;
prodrug;
Saccharomyces cerevisiae metabolite
5-aminovaleric acid[no description available]low00amino acid zwitterion;
delta-amino acid;
omega-amino fatty acid		human metabolite
5-hydroxytryptophan[no description available]low00hydroxytryptophanhuman metabolite;
neurotransmitter
acetyl phosphate[no description available]low00acyl monophosphateEscherichia coli metabolite;
human metabolite;
mouse metabolite
anthranilic acid[no description available]low00aminobenzoic acidhuman metabolite;
mouse metabolite
betaine aldehyde[no description available]low00quaternary ammonium ionAspergillus metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite
ureidosuccinic acid[no description available]low00aspartic acid derivative;
C4-dicarboxylic acid;
N-carbamoyl-amino acid		Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite
coumarin[no description available]low00coumarinsfluorescent dye;
human metabolite;
plant metabolite
aminoethylphosphonic acid[no description available]low00phosphonic acids;
primary amino compound;
zwitterion		human metabolite;
metabolite;
mouse metabolite
dihydrolipoic acid[no description available]low00thio-fatty acidantioxidant;
human metabolite;
neuroprotective agent
trimethylenediamine[no description available]low00alkane-alpha,omega-diaminehuman metabolite;
mouse metabolite;
reagent
3-hydroxybutyric acid[no description available]low00(omega-1)-hydroxy fatty acid;
3-hydroxy monocarboxylic acid;
hydroxybutyric acid		human metabolite
methylmalonic acid[no description available]low00C4-dicarboxylic acidhuman metabolite
pyrrolidonecarboxylic acid[no description available]low00oxoproline;
pyrrolidin-2-ones;
pyrrolidinemonocarboxylic acid		human metabolite
3,4-dihydroxyphenylacetic acid[no description available]low00catechols;
dihydroxyphenylacetic acid		human metabolite
alpha-keto-delta-guanidinovaleric acid[no description available]low002-oxo monocarboxylic acid;
zwitterion		human metabolite;
mouse metabolite
cytosine[no description available]low00aminopyrimidine;
pyrimidine nucleobase;
pyrimidone		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
dihydrouracil[no description available]low00pyrimidoneEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite
dihydrolipoamide[no description available]low00dithiol;
monocarboxylic acid amide		cofactor;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
dihydroxyacetone phosphate[no description available]low00glycerone phosphates;
primary alpha-hydroxy ketone		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
dihydroxyacetone[no description available]low00ketotriose;
primary alpha-hydroxy ketone		antifungal agent;
Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
dimethylglycine[no description available]low00amino acid zwitterion;
N-methyl-amino acid;
N-methylglycines		Daphnia magna metabolite;
human metabolite;
mouse metabolite
5,6-dimethylbenzimidazole[no description available]low00dimethylbenzimidazoleEscherichia coli metabolite;
human metabolite
ethanolamine[no description available]low00ethanolamines;
primary alcohol;
primary amine		Escherichia coli metabolite;
human metabolite;
mouse metabolite
gamma-butyrobetaine[no description available]low00amino-acid betaineEscherichia coli metabolite;
human metabolite
glutaric acid[no description available]low00alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		Daphnia magna metabolite;
human metabolite
alpha-glycerophosphoric acid[no description available]low00glycerol monophosphatealgal metabolite;
human metabolite
glycolaldehyde[no description available]low00glycolaldehydesfundamental metabolite;
human metabolite
glyoxylic acid[no description available]low002-oxo monocarboxylic acid;
aldehydic acid		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
glycocyamine[no description available]low00guanidinoacetic acids;
zwitterion		bacterial metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
rat metabolite
hydrogen cyanide[no description available]low00hydracid;
one-carbon compound		Escherichia coli metabolite;
human metabolite;
poison
homogentisic acid[no description available]low00dihydroxyphenylacetic acid;
hydroquinones		human metabolite;
plant metabolite
indole-3-acetaldehyde[no description available]low00indoleacetaldehydebacterial metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
itaconic acid[no description available]low00dicarboxylic acid;
dicarboxylic fatty acid;
olefinic compound		fungal metabolite;
human metabolite
potassium[no description available]low00alkali metal cation;
elemental potassium;
monoatomic monocation;
monovalent inorganic cation		cofactor;
human metabolite
dihydroxyphenylalanine[no description available]low00hydroxyphenylalanine;
non-proteinogenic alpha-amino acid;
tyrosine derivative		human metabolite
kynurenine[no description available]low00aromatic ketone;
non-proteinogenic alpha-amino acid;
substituted aniline		human metabolite
lipoamide[no description available]low00dithiolanes;
monocarboxylic acid amide		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
malonic acid[no description available]low00alpha,omega-dicarboxylic acidhuman metabolite
methylmercaptan[no description available]low00alkanethiolhuman metabolite;
Saccharomyces cerevisiae metabolite
pyruvaldehyde[no description available]low002-oxo aldehyde;
propanals		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
n-acetylserotonin[no description available]low00acetamides;
N-acylserotonin;
phenols		antioxidant;
human metabolite;
mouse metabolite;
tropomyosin-related kinase B receptor agonist
n-methylphenylethanolamine[no description available]low00alkaloid;
phenylethanolamines		human metabolite;
plant metabolite
n'-acetylspermine[no description available]low00acetamides;
acetylspermine		human metabolite
hydroxypyruvic acid[no description available]low002-oxo monocarboxylic acid;
3-hydroxy monocarboxylic acid;
primary alpha-hydroxy ketone		Escherichia coli metabolite;
human metabolite
oxalic acid[no description available]low00alpha,omega-dicarboxylic acidalgal metabolite;
human metabolite;
plant metabolite
4-hydroxyphenylpyruvic acid[no description available]low002-oxo monocarboxylic acid;
phenols		human metabolite
hexadecanal[no description available]low002,3-saturated fatty aldehyde;
long-chain fatty aldehyde		human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
phenylacetaldehyde[no description available]low00alpha-CH2-containing aldehyde;
phenylacetaldehydes		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2-hydroxyphenethylamine[no description available]low00phenylethanolamineshuman metabolite
phenethylamine[no description available]low00alkaloid;
aralkylamine;
phenylethylamine		Escherichia coli metabolite;
human metabolite;
mouse metabolite
phosphoric acid[no description available]low00phosphoric acidsalgal metabolite;
fertilizer;
human metabolite;
NMR chemical shift reference compound;
solvent
phosphorylcholine[no description available]low00phosphocholinesallergen;
epitope;
hapten;
human metabolite;
mouse metabolite
phosphorylethanolamine[no description available]low00phosphoethanolamine;
primary amino compound		algal metabolite;
human metabolite;
mouse metabolite
picolinic acid[no description available]low00pyridinemonocarboxylic acidhuman metabolite;
MALDI matrix material
pyridoxal[no description available]low00hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
pyridinecarbaldehyde;
vitamin B6		cofactor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
pyridoxamine[no description available]low00aminoalkylpyridine;
hydroxymethylpyridine;
monohydroxypyridine;
vitamin B6		Escherichia coli metabolite;
human metabolite;
iron chelator;
mouse metabolite;
nephroprotective agent;
plant metabolite;
Saccharomyces cerevisiae metabolite
pyridoxamine phosphate[no description available]low00aminoalkylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6 phosphate		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
quinolinic acid[no description available]low00pyridinedicarboxylic acidEscherichia coli metabolite;
human metabolite;
mouse metabolite;
NMDA receptor agonist
thiosulfates[no description available]low00divalent inorganic anion;
sulfur oxide;
sulfur oxoanion		human metabolite
thymine[no description available]low00pyrimidine nucleobase;
pyrimidone		Escherichia coli metabolite;
human metabolite;
mouse metabolite
2-(4-methyl-1,3-thiazol-5-yl)ethanol[no description available]low001,3-thiazoles;
primary alcohol		Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite
tryptamine[no description available]low00aminoalkylindole;
aralkylamino compound;
indole alkaloid;
tryptamines		human metabolite;
mouse metabolite;
plant metabolite
vanilmandelic acid[no description available]low002-hydroxy monocarboxylic acid;
aromatic ether;
phenols		human metabolite
perillic acid[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid		antineoplastic agent;
human metabolite;
mouse metabolite
meglutol[no description available]low003-hydroxy carboxylic acid;
dicarboxylic acid;
tertiary alcohol		anticholesteremic drug;
antimetabolite;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
human metabolite;
plant metabolite
3-hydroxy-4-methoxyphenethylamine[no description available]low00monomethoxybenzene;
phenols;
phenylethylamine;
primary amino compound		human metabolite;
rat metabolite
hydroxyindoleacetic acid[no description available]low00indole-3-acetic acidsdrug metabolite;
human metabolite;
mouse metabolite
5-methoxytryptamine[no description available]low00aromatic ether;
primary amino compound;
tryptamines		5-hydroxytryptamine 2A receptor agonist;
5-hydroxytryptamine 2B receptor agonist;
5-hydroxytryptamine 2C receptor agonist;
antioxidant;
cardioprotective agent;
human metabolite;
mouse metabolite;
neuroprotective agent;
radiation protective agent;
serotonergic agonist
cetyl alcohol[no description available]low00hexadecanol;
long-chain primary fatty alcohol		algal metabolite;
flavouring agent;
human metabolite;
plant metabolite
debrisoquin[no description available]low00carboxamidine;
isoquinolines		adrenergic agent;
antihypertensive agent;
human metabolite;
sympatholytic agent
nordazepam[no description available]low001,4-benzodiazepinone;
organochlorine compound		anticonvulsant;
anxiolytic drug;
GABA modulator;
human metabolite;
sedative
2,5-dihydroxybenzoic acid[no description available]low00dihydroxybenzoic acidEC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
fungal metabolite;
human metabolite;
MALDI matrix material;
mouse metabolite
tele-methylhistamine[no description available]low00imidazoles;
primary amino compound		human metabolite;
mouse metabolite
indolepropionic acid[no description available]low00indol-3-yl carboxylic acidauxin;
human metabolite;
plant metabolite
kynurenic acid[no description available]low00monohydroxyquinoline;
quinolinemonocarboxylic acid		G-protein-coupled receptor agonist;
human metabolite;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist;
Saccharomyces cerevisiae metabolite
3-phenyllactic acid[no description available]low002-hydroxy monocarboxylic acidhuman metabolite
2-amino-3-phosphonopropionic acid[no description available]low00alanine derivative;
non-proteinogenic alpha-amino acid;
phosphonic acids		human metabolite;
metabotropic glutamate receptor antagonist
2-phenylglycine[no description available]low00non-proteinogenic alpha-amino acidhuman metabolite
oxidopamine[no description available]low00benzenetriol;
catecholamine;
primary amino compound		drug metabolite;
human metabolite;
neurotoxin
sebacic acid[no description available]low00alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		human metabolite;
plant metabolite
stearic acid[no description available]low00long-chain fatty acid;
saturated fatty acid;
straight-chain saturated fatty acid		algal metabolite;
Daphnia magna metabolite;
human metabolite;
plant metabolite
succinylacetone[no description available]low00beta-diketone;
dioxo monocarboxylic acid		human metabolite
retinoic acid[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
retinoid		human metabolite
serine[no description available]low00L-alpha-amino acid;
proteinogenic amino acid;
serine family amino acid;
serine zwitterion;
serine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
uridine monophosphate[no description available]low00pyrimidine ribonucleoside 5'-monophosphate;
uridine 5'-phosphate		Escherichia coli metabolite;
human metabolite;
mouse metabolite
leucine[no description available]low00amino acid zwitterion;
L-alpha-amino acid;
leucine;
proteinogenic amino acid;
pyruvate family amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
cytidine monophosphate[no description available]low00cytidine 5'-phosphate;
pyrimidine ribonucleoside 5'-monophosphate		Escherichia coli metabolite;
human metabolite;
mouse metabolite
cytidine[no description available]low00cytidinesEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
histidine[no description available]low00amino acid zwitterion;
histidine;
L-alpha-amino acid;
polar amino acid zwitterion;
proteinogenic amino acid		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
threonine[no description available]low00amino acid zwitterion;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
threonine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
ethylamine[no description available]low00primary aliphatic aminehuman metabolite
quinaldic acid[no description available]low00quinolinemonocarboxylic acidhuman metabolite;
Saccharomyces cerevisiae metabolite
3-methylpentane[no description available]low00alkane;
volatile organic compound		allelochemical;
human metabolite;
non-polar solvent
methylcyclopentane[no description available]low00cycloalkane;
volatile organic compound		human metabolite;
plant metabolite
phosphoribosyl pyrophosphate[no description available]low005-O-phosphono-D-ribofuranosyl diphosphateEscherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite
1-phenethylamine[no description available]low00phenylethylaminehuman metabolite
trehalose[no description available]low00trehaloseEscherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
isethionic acid[no description available]low00alkanesulfonic acidhuman metabolite
methylcyclohexane[no description available]low00cycloalkane;
volatile organic compound		aprotic solvent;
human metabolite;
plant metabolite
piperidine[no description available]low00azacycloalkane;
piperidines;
saturated organic heteromonocyclic parent;
secondary amine		base;
catalyst;
human metabolite;
non-polar solvent;
plant metabolite;
protic solvent;
reagent
undecanoic acid[no description available]low00medium-chain fatty acid;
straight-chain saturated fatty acid		antifungal agent;
human metabolite
1-tridecanol[no description available]low00long-chain primary fatty alcohol;
tridecanol		bacterial metabolite;
human metabolite;
plant metabolite
stearyl alcohol[no description available]low00long-chain primary fatty alcohol;
octadecanol		algal metabolite;
human metabolite;
plant metabolite
acetol[no description available]low00methyl ketone;
primary alcohol;
primary alpha-hydroxy ketone;
propanones		Escherichia coli metabolite;
human metabolite;
mouse metabolite
2-methylbutanoic acid[no description available]low00methylbutyric acidbacterial metabolite;
human metabolite
isopropyl palmitate[no description available]low00fatty acid ester;
isopropyl ester		human metabolite
20-alpha-dihydroprogesterone[no description available]low0020-hydroxypregn-4-en-3-onehuman metabolite;
mouse metabolite
homoarginine[no description available]low00homoarginine;
L-lysine derivative;
non-proteinogenic L-alpha-amino acid		biomarker;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
human metabolite;
rat metabolite;
xenobiotic metabolite
dibenzo(a,l)pyrene[no description available]low00ortho- and peri-fused polycyclic arenehuman metabolite;
mutagen
diiodotyrosine[no description available]low00diiodotyrosine;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid		human metabolite;
mouse metabolite
3-methoxytyrosine[no description available]low00aromatic L-alpha-amino acid zwitterion;
L-tyrosine derivative;
monomethoxybenzene;
non-proteinogenic L-alpha-amino acid		human metabolite
thiocyanate[no description available]low00pseudohalide anion;
sulfur molecular entity		human metabolite
4-hydroxyphenyllactic acid[no description available]low002-hydroxy carboxylic acid;
phenols		bacterial metabolite;
human metabolite
4-methylcatechol[no description available]low00methylcatecholantioxidant;
carcinogenic agent;
hapten;
human metabolite;
plant metabolite
homocystine[no description available]low00amino acid zwitterion;
homocystines		human metabolite
ninhydrin[no description available]low00aromatic ketone;
beta-diketone;
indanones;
ketone hydrate		colour indicator;
human metabolite
indican[no description available]low00aryl sulfate;
indoles		human metabolite
suberic acid[no description available]low00alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		human metabolite
hexadecanedioic acid[no description available]low00alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		human metabolite
pyridoxamine dihydrochloride[no description available]low00hydrochloride;
vitamin B6		Escherichia coli metabolite;
human metabolite;
iron chelator;
mouse metabolite;
nephroprotective agent;
plant metabolite;
Saccharomyces cerevisiae metabolite
aceturic acid[no description available]low00N-acetyl-amino acid;
N-acylglycine		human metabolite
glycylglycine[no description available]low00dipeptide zwitterion;
dipeptide		human metabolite
lignoceric acid[no description available]low00straight-chain saturated fatty acid;
very long-chain fatty acid		Daphnia tenebrosa metabolite;
human metabolite;
plant metabolite;
volatile oil component
18-hydroxycorticosterone[no description available]low0011beta-hydroxy steroid;
18-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo steroid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite
2-hydroxybutyric acid[no description available]low002-hydroxy monocarboxylic acid;
hydroxybutyric acid		algal metabolite;
human metabolite
3-methylhexane[no description available]low00alkane;
volatile organic compound		human metabolite
ethylmalonic acid[no description available]low00dicarboxylic acid;
dicarboxylic fatty acid		human metabolite
galactitol[no description available]low00hexitolEscherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite
2-hydroxyphenylacetic acid[no description available]low00hydroxy monocarboxylic acid;
phenols		human metabolite;
mouse metabolite
5-methyl-2-furfural[no description available]low00aldehyde;
furans		EC 2.2.1.6 (acetolactate synthase) inhibitor;
flavouring agent;
human metabolite;
Maillard reaction product
1,1,3,3-tetramethylurea[no description available]low00ureashuman metabolite
isocaproic acid[no description available]low00branched-chain saturated fatty acid;
medium-chain fatty acid;
methyl-branched fatty acid		human metabolite
homoserine[no description available]low00amino acid zwitterion;
homoserine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite
dodecanedioic acid[no description available]low00alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		EC 1.1.1.1 (alcohol dehydrogenase) inhibitor;
human metabolite
deoxycytidine[no description available]low00pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
deoxyuridine[no description available]low00pyrimidine 2'-deoxyribonucleosideEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2'-deoxyadenosine[no description available]low00purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
cytidine diphosphate choline[no description available]low00nucleotide-(amino alcohol)s;
phosphocholines		human metabolite;
mouse metabolite;
neuroprotective agent;
psychotropic drug;
Saccharomyces cerevisiae metabolite
1-pentene-3-one[no description available]low00enoneflavouring agent;
genotoxin;
human metabolite;
plant metabolite
9,10-epoxystearic acid[no description available]low00epoxystearic acidhuman metabolite
5-hydroxyindole[no description available]low00hydroxyindoleshuman metabolite
beta-hydroxymyristic acid[no description available]low003-hydroxy fatty acid;
3-hydroxy monocarboxylic acid;
long-chain fatty acid		bacterial metabolite;
human metabolite
perillaldehyde[no description available]low00aldehyde;
olefinic compound		human metabolite;
mouse metabolite;
volatile oil component
tricosanoic acid[no description available]low00straight-chain saturated fatty acid;
very long-chain fatty acid		Daphnia magna metabolite;
human metabolite;
plant metabolite
tetrahydropapaveroline[no description available]low00benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
isoquinolinol		human metabolite
dithiothreitol[no description available]low001,4-dimercaptobutane-2,3-diol;
butanediols;
dithiol;
glycol;
thiol		chelator;
human metabolite;
reducing agent
cyclic cmp[no description available]low003',5'-cyclic pyrimidine nucleotidehuman metabolite
furoylglycine[no description available]low00furans;
N-acylglycine		human metabolite
3,3',5'-triiodothyronine[no description available]low00iodothyroninehuman metabolite
hypochlorous acid[no description available]low00chlorine oxoacid;
reactive oxygen species		EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
human metabolite
estetrol[no description available]low0015alpha-hydroxy steroid;
16alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid;
steroid hormone		estrogen receptor agonist;
estrogen;
human metabolite;
human xenobiotic metabolite;
oral contraceptive
iron[no description available]low00divalent metal cation;
iron cation;
monoatomic dication		cofactor;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
1-methyladenosine[no description available]low00methyladenosinehuman metabolite
nonanal[no description available]low00medium-chain fatty aldehyde;
n-alkanal;
saturated fatty aldehyde		human metabolite;
plant metabolite
dimethylacetamide[no description available]low00acetamides;
monocarboxylic acid amide		human metabolite
s-adenosylmethionine[no description available]low00sulfonium betainehuman metabolite
acetylgalactosamine[no description available]low00N-acetyl-D-hexosamine;
N-acetylgalactosamine		Escherichia coli metabolite;
human metabolite;
mouse metabolite
norsalsolinol[no description available]low00isoquinolinolanimal metabolite;
apoptosis inducer;
human metabolite;
marine metabolite
2-methyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline[no description available]low00isoquinolinol;
tertiary amino compound		human metabolite;
neurotoxin;
rat metabolite
d-lactic acid[no description available]low002-hydroxypropanoic acidEscherichia coli metabolite;
human metabolite
xanthosine[no description available]low00purines D-ribonucleoside;
xanthosines		Escherichia coli metabolite;
human metabolite;
mouse metabolite
3-methylhistidine[no description available]low00L-histidine derivative;
non-proteinogenic L-alpha-amino acid;
zwitterion		human metabolite;
Saccharomyces cerevisiae metabolite
5-methylcytosine[no description available]low00methylcytosine;
pyrimidines		human metabolite
deoxyuridine triphosphate[no description available]low00deoxyuridine phosphate;
pyrimidine 2'-deoxyribonucleoside 5'-triphosphate		Arabidopsis thaliana metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite
homocitrulline[no description available]low00amino acid zwitterion;
L-lysine derivative;
non-proteinogenic L-alpha-amino acid;
ureas		human metabolite;
mouse metabolite
cholesteryl sulfate[no description available]low00steroid sulfatehuman metabolite
2'-deoxycytidine 5'-triphosphate[no description available]low002'-deoxycytidine phosphate;
pyrimidine 2'-deoxyribonucleoside 5'-triphosphate		Escherichia coli metabolite;
human metabolite;
mouse metabolite
aica ribonucleotide[no description available]low001-(phosphoribosyl)imidazolecarboxamide;
aminoimidazole		cardiovascular drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
n-acetylserine[no description available]low00acetyl-L-serine;
N-acetyl-L-amino acid		human metabolite
o-4-methylthymine[no description available]low00aromatic ether;
methylthymine		human metabolite
tetraiodothyroacetic acid[no description available]low002-halophenol;
aromatic ether;
iodophenol;
monocarboxylic acid		apoptosis inducer;
human metabolite;
thyroid hormone
omega-aminocaprylic acid[no description available]low00medium-chain fatty acid;
omega-amino fatty acid		human metabolite
parabanic acid[no description available]low00hydracid;
imidazolidinone		human metabolite
n-acetyl-l-arginine[no description available]low00N-acetyl-L-amino acidhuman metabolite
cystine[no description available]low00cystine zwitterion;
cystine;
L-cysteine derivative;
non-proteinogenic L-alpha-amino acid		EC 1.2.1.11 (aspartate-semialdehyde dehydrogenase) inhibitor;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
6-methyladenine[no description available]low006-alkylaminopurine;
methyladenine		human metabolite
phenylacetylglycine[no description available]low00monocarboxylic acid amide;
monocarboxylic acid;
N-acylglycine		human metabolite;
mouse metabolite
hydracrylic acid[no description available]low003-hydroxy monocarboxylic acid;
omega-hydroxy-short-chain fatty acid		Escherichia coli metabolite;
human metabolite
hordenine[no description available]low00phenethylamine alkaloidhuman metabolite;
mouse metabolite
4-methoxyestradiol[no description available]low0017beta-hydroxy steroid;
3-hydroxy steroid;
aromatic ether;
phenols		estrogen;
human metabolite;
rat metabolite
glutaurine[no description available]low00dipeptide zwitterion;
dipeptide;
L-glutamine derivative;
sulfonic acid		anticonvulsant;
anxiolytic drug;
hormone;
human metabolite;
mammalian metabolite;
mouse metabolite
plasmenylserine[no description available]low00O-phosphoserineEC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor;
EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor;
EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
ubiquinone-o[no description available]low00ubiquinonesEscherichia coli metabolite;
human metabolite
beta-hydroxyisovaleric acid[no description available]low003-hydroxy monocarboxylic acidhuman metabolite
n-acetylhistamine[no description available]low00acetamides;
imidazoles		human metabolite
indole-3-carboxylic acid[no description available]low00indol-3-yl carboxylic acidbacterial metabolite;
human metabolite
5-hydroxymethylcytosine[no description available]low00aminopyrimidine;
aromatic primary alcohol;
nucleobase analogue;
pyrimidone		human metabolite;
mouse metabolite
n-acetylglutamic acid[no description available]low00N-acetyl-L-amino acid;
N-acyl-L-glutamic acid		human metabolite;
Saccharomyces cerevisiae metabolite
2,5-dihydroxybenzaldehyde[no description available]low00dihydroxybenzaldehydehuman metabolite;
mouse metabolite;
Penicillium metabolite
D-serine[no description available]low00D-alpha-amino acid;
serine zwitterion;
serine		Escherichia coli metabolite;
human metabolite;
NMDA receptor agonist
D-alanine[no description available]low00alanine zwitterion;
alanine;
D-alpha-amino acid		EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
Escherichia coli metabolite;
human metabolite
2-ketopentanoic acid[no description available]low002-oxo monocarboxylic acid;
oxopentanoic acid		human metabolite
hydroxyindoleacetaldehyde[no description available]low00hydroxyindoles;
indoleacetaldehyde		human metabolite;
mouse metabolite
leucylleucine[no description available]low00dipeptide;
L-aminoacyl-L-amino acid zwitterion		human metabolite;
Mycoplasma genitalium metabolite
5-hydroxymethyluracil[no description available]low00primary alcohol;
pyrimidone		human metabolite
12-hydroxydodecanoic acid[no description available]low00omega-hydroxy-medium-chain fatty acidhuman metabolite
decane-1,2-diol[no description available]low00glycol;
volatile organic compound		anti-inflammatory agent;
antioxidant;
human metabolite
4-nitrophenyl sulfate[no description available]low00aryl sulfate;
C-nitro compound		human metabolite
glucose-1,6-bisphosphate[no description available]low00D-glucose 1,6-bisphosphateEscherichia coli metabolite;
human metabolite
biotinamide[no description available]low00biotins;
monocarboxylic acid amide		human metabolite
3,4-dihydroxymandelic acid[no description available]low002-hydroxy monocarboxylic acid;
catechols		antioxidant;
drug metabolite;
human metabolite;
mouse metabolite
3-hydroxymandelic acid[no description available]low002-hydroxy monocarboxylic acid;
phenols		human metabolite
n-acetylalanine[no description available]low00L-alanine derivative;
N-acetyl-L-amino acid		human metabolite;
Saccharomyces cerevisiae metabolite
mephentermine[no description available]low002-aminooctadecane-1,3-diolEC 2.7.11.13 (protein kinase C) inhibitor;
human metabolite;
mouse metabolite
2-pinene oxide[no description available]low00epoxide;
pinane monoterpenoid		bacterial xenobiotic metabolite;
fragrance;
human metabolite
1-methylhistidine[no description available]low00L-histidine derivative;
non-proteinogenic L-alpha-amino acid;
zwitterion		human metabolite
3-hydroxybutyric acid[no description available]low003-hydroxybutyric acid;
ketone body		fungal metabolite;
human metabolite;
pheromone
L-2-aminoadipic acid[no description available]low002-aminoadipic acidEscherichia coli metabolite;
human metabolite
testosterone acetate[no description available]low003-oxo-Delta(4) steroid;
androstanoid;
sterol ester		human metabolite
phenylacetylglutamine[no description available]low00N(2)-phenylacetylglutaminehuman metabolite
5beta-pregnane-3,20-dione[no description available]low0020-oxo steroid;
3-oxo-5beta-steroid;
C21-steroid		human metabolite;
mouse metabolite
zymosterol[no description available]low003beta-sterol;
cholestanoid		human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
n-epsilon-acetyllysine[no description available]low00acetyl-L-lysine;
amino acid zwitterion;
N(6)-acyl-L-lysine		human metabolite
2-hydroxyhexadecanoic acid[no description available]low002-hydroxy fatty acid;
hydroxypalmitic acid		human metabolite
19-oxo-delta(4) androstene-3,17-dione[no description available]low0017-oxo steroid;
19-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid;
steroid aldehyde		human metabolite
gamma-glutamylglutamate[no description available]low00dipeptidehuman metabolite
indole-3-lactic acid[no description available]low00hydroxy monocarboxylic acid;
indol-3-yl carboxylic acid		human metabolite
n(alpha)-acetyllysine[no description available]low00acetyl-L-lysine;
amino acid zwitterion		human metabolite
glycyl-l-phenylalanine[no description available]low00dipeptide zwitterion;
dipeptide		human metabolite;
metabolite
5,6-dihydrothymine[no description available]low00pyrimidonehuman metabolite;
metabolite;
mouse metabolite
gamma-glutamyltyrosine[no description available]low00dicarboxylic acid;
dipeptide;
phenols;
primary amino compound;
secondary carboxamide		human metabolite
2-hydroxyisovaleric acid[no description available]low002-hydroxy monocarboxylic acidhuman metabolite
aminomalonic acid[no description available]low00amino dicarboxylic acidDaphnia magna metabolite;
human metabolite
zymostenol[no description available]low003beta-sterol;
cholestanoid		human metabolite;
mouse metabolite
16-hydroxydehydroepiandrosterone[no description available]low0016alpha-hydroxy steroid;
17-oxo steroid;
3beta-hydroxy-Delta(5)-steroid;
androstanoid;
secondary alpha-hydroxy ketone		human metabolite;
mouse metabolite
cortisol 21-sulfate[no description available]low0011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
cortisol ester;
steroid sulfate;
tertiary alpha-hydroxy ketone		human metabolite
1,2-distearoylphosphatidylethanolamine[no description available]low00phosphatidylethanolamine zwitterion;
phosphatidylethanolamine		human metabolite
hydrogen sulfite[no description available]low00sulfur oxoanionhuman metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
aflatoxin b1-2,3-oxide[no description available]low00aflatoxinhuman metabolite
fructose 2,6-diphosphate[no description available]low00D-fructofuranose 2,6-bisphosphatehuman metabolite;
mouse metabolite
pregnenolone sulfate[no description available]low00steroid sulfateEC 2.7.1.33 (pantothenate kinase) inhibitor;
human metabolite
3,3'-diiodothyronine[no description available]low003,3'-diiodothyronine;
amino acid zwitterion		human metabolite
l-lactic acid[no description available]low00(2S)-2-hydroxy monocarboxylic acid;
2-hydroxypropanoic acid		Escherichia coli metabolite;
human metabolite
propionylcarnitine[no description available]low00O-acylcarnitineanalgesic;
antirheumatic drug;
cardiotonic drug;
human metabolite;
peripheral nervous system drug
hypotaurine[no description available]low00aminosulfinic acid;
zwitterion		human metabolite;
metabolite;
mouse metabolite
testosterone 17-glucosiduronate[no description available]low003-oxo steroid;
beta-D-glucosiduronic acid;
enone;
steroid glucosiduronic acid		human metabolite
3-chloro-L-tyrosine[no description available]low00chloroamino acid;
L-alpha-amino acid zwitterion;
L-tyrosine derivative;
monochlorobenzenes;
non-proteinogenic L-alpha-amino acid		biomarker;
human metabolite
androsterone glucuronide[no description available]low00beta-D-glucosiduronic acid;
steroid glucosiduronic acid		human metabolite;
metabolite;
mouse metabolite
selenomethylselenocysteine[no description available]low00non-proteinogenic alpha-amino acid;
selenocysteines		antineoplastic agent;
human metabolite
1,5(10)-estradiene-3,4,17-trione[no description available]low0017-oxo steroid;
3-oxo-Delta(1) steroid;
orthoquinones		human metabolite
s-sulphocysteine[no description available]low00organic thiosulfate;
S-substituted L-cysteine		human metabolite;
plant metabolite
estrone-3-glucuronide[no description available]low0017-oxo steroid;
beta-D-glucosiduronic acid;
steroid glucosiduronic acid		human metabolite;
mouse metabolite
3,4-dihydroxyphenylacetaldehyde[no description available]low00alpha-CH2-containing aldehyde;
catechols;
phenylacetaldehydes		Escherichia coli metabolite;
human metabolite;
mouse metabolite
1-hydroxyethyl radical[no description available]low00organic anionhuman metabolite;
Saccharomyces cerevisiae metabolite
(20s)-20-hydroxycholesterol[no description available]low0020-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid;
oxysterol		human metabolite;
mouse metabolite
deoxyhypusine[no description available]low00L-lysine derivative;
non-proteinogenic L-alpha-amino acid		human metabolite
triiodothyronine sulfate[no description available]low00aryl sulfate;
O-sulfoamino acid		human metabolite
erythrose 4-phosphate[no description available]low00erythrose phosphateEscherichia coli metabolite;
human metabolite;
mouse metabolite
n(8)-acetylspermidine[no description available]low00acetylspermidineEscherichia coli metabolite;
human metabolite
pristanic acid[no description available]low00branched-chain saturated fatty acid;
long-chain fatty acid;
methyl-branched fatty acid		human metabolite
gamma-glutamylcysteine[no description available]low00gamma-glutamylcysteineEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
3-carboxy-4-methyl-5-propyl-2-furanpropionic acid[no description available]low00dicarboxylic acid;
furoic acid		human metabolite;
uremic toxin
dehydroalanine[no description available]low002,3-dehydroamino acid;
alpha,beta-unsaturated monocarboxylic acid;
amino acid zwitterion;
enamine;
non-proteinogenic alpha-amino acid		alkylating agent;
human metabolite;
mouse metabolite
hypothiocyanite ion[no description available]low00one-carbon compound;
sulfur oxoacid		antibacterial agent;
antifungal agent;
antiviral agent;
human metabolite;
oxidising agent;
rat metabolite
3-c-methylerythritol[no description available]low00tetritolhuman metabolite
succinylacetoacetate[no description available]low00alpha,omega-dicarboxylic acid;
beta-diketone		human metabolite
mannitol-1-phosphate[no description available]low00alditol 1-phosphate;
hexitol phosphate		Escherichia coli metabolite;
human metabolite
triiodothyronine[no description available]low00tetrahydrothiophenes;
thiolactone		human metabolite
kinetensin[no description available]low00oligopeptidehistamine releasing agent;
human metabolite
estra-1(10),4-diene-2,3,17-trione[no description available]low0017-oxo steroid;
3-oxo-Delta(4) steroid;
orthoquinones		human metabolite
2'-deoxycytidine diphosphate[no description available]low002'-deoxycytidine phosphate;
pyrimidine 2'-deoxyribonucleoside 5'-diphosphate		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite
n-methylserotonin[no description available]low00phenols;
tryptamines		human metabolite;
plant metabolite
gamma-glutamylglutamine[no description available]low00dipeptidehuman metabolite
3,4-dihydroxybutanoic acid[no description available]low003-hydroxy fatty acid;
omega-hydroxy-short-chain fatty acid		human metabolite
n-palmitoylglycine[no description available]low00fatty amide;
N-acylglycine 16:0		human metabolite;
marine metabolite
gamma-glutamyl-leucine[no description available]low00glutamyl-L-amino acidhuman metabolite
ribulose[no description available]low00ribuloseEscherichia coli metabolite;
human metabolite
3,4-dihydroxyphenylglycolaldehyde[no description available]low00catechols;
hydroxyaldehyde		human metabolite;
mouse metabolite;
neurotoxin
androsterone sulfate[no description available]low0017-oxo steroid;
androstanoid;
steroid sulfate		human metabolite;
mouse metabolite
saccharopine[no description available]low00amino acid opine;
L-lysine derivative		human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
allysine[no description available]low00allysine;
amino acid zwitterion;
aminoadipate semialdehyde;
non-proteinogenic L-alpha-amino acid		human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
orotidylic acid[no description available]low00pyrimidine ribonucleoside 5'-monophosphateEscherichia coli metabolite;
human metabolite;
mouse metabolite
beta-ureidoisobutyric acid[no description available]low00ureidocarboxylic acidhuman metabolite;
mouse metabolite
kynurenine[no description available]low00amino acid zwitterion;
kynurenine;
non-proteinogenic L-alpha-amino acid		human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
nicotinate ribonucleoside[no description available]low00ammonium betainehuman metabolite
n(6)-(n-threonylcarbonyl)adenosine[no description available]low00L-threonine derivative;
N-(adenosin-N(6)-ylcarbonyl)threonine		Escherichia coli metabolite;
human metabolite
sedoheptulose 7-phosphate[no description available]low00ketoheptose phosphate;
sedoheptulose derivative		Escherichia coli metabolite;
human metabolite;
mouse metabolite
histidinol[no description available]low00amino alcohol;
imidazoles		EC 2.3.1.97 (glycylpeptide N-tetradecanoyltransferase) inhibitor;
Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite
thiocysteine[no description available]low00amino acid zwitterion;
S-substituted L-cysteine		human metabolite;
mouse metabolite
nicotinic acid adenine dinucleotide[no description available]low00nicotinic acid dinucleotideEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
4,4-dimethyl-5-alpha-cholesta-(8,24)-dien-3-beta-ol[no description available]low003beta-sterolhuman metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
bradykinin, des-phe(8)-des-arg(9)-[no description available]low00oligopeptidehuman metabolite;
rat metabolite
isobutyryl-1-carnitine[no description available]low00methyl-branched fatty acyl-L-carnitine;
O-isobutyrylcarnitine;
saturated fatty acyl-L-carnitine		human metabolite
threitol[no description available]low00threitolhuman metabolite
aceglutamide[no description available]low00N-acetyl-L-amino acid;
N(2)-acetylglutamine;
N(2)-acyl-L-glutamine		human metabolite
isospaglumic acid[no description available]low00dipeptidehuman metabolite
2'-deoxyadenosine triphosphate[no description available]low002'-deoxyadenosine 5'-phosphate;
purine 2'-deoxyribonucleoside 5'-diphosphate		Escherichia coli metabolite;
human metabolite;
mouse metabolite
2-ethylhydracrylic acid[no description available]low00branched-chain saturated fatty acid;
hydroxy fatty acid;
short-chain fatty acid		human metabolite
2-methyl-3-oxovaleric acid[no description available]low003-oxo monocarboxylic acidhuman metabolite
monoacetylcadaverine[no description available]low00acetamides;
N-substituted cadaverine;
primary amino compound;
secondary carboxamide		human metabolite
beta-citrylglutamic acid[no description available]low00N-acyl-L-glutamic acid;
tetracarboxylic acid		human metabolite;
iron chelator
maltotriose[no description available]low00maltotriose trisaccharidehuman metabolite
beta-leucine[no description available]low00beta-amino acidhuman metabolite
2-methylbutyrylglycine[no description available]low00N-acylglycinehuman metabolite
neurotensin (1-8)[no description available]low00peptide zwitterion;
peptide		human metabolite
cholesteryl palmitate[no description available]low00cholesteryl esterhuman metabolite;
mouse metabolite
5-hydroxyisourate[no description available]low00oxopurinehuman metabolite;
mouse metabolite
5-formyluracil[no description available]low00aldehyde;
nucleobase analogue;
pyrimidone		human metabolite;
mutagen
5'-methylthioadenosine[no description available]low00thioadenosinealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
5'-deoxyadenosine[no description available]low005'-deoxyribonucleoside;
adenosines		Escherichia coli metabolite;
human metabolite;
mouse metabolite
isomaltose[no description available]low00glycosylglucosehuman metabolite;
metabolite;
mouse metabolite
n-acetylneuraminic acid[no description available]low00N-acetylneuraminic acidsantioxidant;
bacterial metabolite;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
human metabolite;
mouse metabolite
glucosamine 6-phosphate[no description available]low002-amino-2-deoxy-D-glucopyranose 6-phosphatehuman metabolite;
Saccharomyces cerevisiae metabolite
carnosine[no description available]low00amino acid zwitterion;
dipeptide		anticonvulsant;
antineoplastic agent;
antioxidant;
Daphnia magna metabolite;
geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent
5-hydroxytryptophan[no description available]low005-hydroxytryptophan;
amino acid zwitterion;
hydroxy-L-tryptophan;
non-proteinogenic L-alpha-amino acid		human metabolite;
mouse metabolite;
plant metabolite
dopaquinone[no description available]low001,2-benzoquinones;
amino acid zwitterion;
L-phenylalanine derivative		human metabolite;
mouse metabolite
pantetheine[no description available]low00pantetheines;
thiol		human metabolite;
metabolite;
mouse metabolite
tryptophanamide[no description available]low00amino acid amide;
tryptophan derivative		human metabolite
5-diphosphomevalonic acid[no description available]low00carboxyalkyl phosphatehuman metabolite;
mouse metabolite
cysteinylglycine[no description available]low00dipeptide zwitterion;
dipeptide		Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite
desmosterol[no description available]low003beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C27-steroid;
cholestanoid		human metabolite;
mouse metabolite
monoiodotyrosine[no description available]low00amino acid zwitterion;
L-tyrosine derivative;
monoiodotyrosine;
non-proteinogenic L-alpha-amino acid		EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor;
human metabolite;
mouse metabolite
n'-formylkynurenine[no description available]low00amino acid zwitterion;
N-formylkynurenine;
non-proteinogenic amino acid derivative;
non-proteinogenic L-alpha-amino acid		human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
fuculose 1-phosphate[no description available]low00deoxyaldohexose phosphatehuman metabolite
nicotinamide-beta-riboside[no description available]low00N-glycosylnicotinamide;
pyridine nucleoside		geroprotector;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
4-hydroxyphenylacetaldehyde[no description available]low00alpha-CH2-containing aldehyde;
phenylacetaldehydes		Escherichia coli metabolite;
human metabolite;
mouse metabolite
trimethyllysine[no description available]low00alpha-amino-acid cationhuman metabolite;
mouse metabolite
inositol 3,4-bisphosphate[no description available]low00myo-inositol bisphosphatehuman metabolite;
mouse metabolite
n-acetylglucosamine-1-phosphate[no description available]low00N-acetyl-D-glucosamine 1-phosphateEscherichia coli metabolite;
human metabolite;
mouse metabolite
24,25-dihydrolanosterol[no description available]low003beta-sterol;
tetracyclic triterpenoid		human metabolite;
mouse metabolite
2-methoxyestrone[no description available]low0017-oxo steroid;
3-hydroxy steroid;
alicyclic ketone;
aromatic ether;
phenolic steroid;
phenols		human metabolite;
mouse metabolite
cortodoxone[no description available]low00deoxycortisol;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite
estradiol-3-glucuronide[no description available]low0017beta-hydroxy steroid;
beta-D-glucosiduronic acid;
steroid glucosiduronic acid		human metabolite;
mouse metabolite
acetyl adenylate[no description available]low005'-acylphosphoadenosinhuman metabolite;
mouse metabolite
4,4-dimethylcholesta-8,14,24-trienol[no description available]low003beta-sterol;
Delta(14) steroid		human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
enkephalin, methionine[no description available]low00pentapeptide;
peptide zwitterion		analgesic;
antineoplastic agent;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist
dephosphocoenzyme a[no description available]low00adenosine 5'-phosphateEscherichia coli metabolite;
human metabolite;
mouse metabolite
ribothymidine[no description available]low00methyluridineantigen;
Escherichia coli metabolite;
human metabolite
tetragastrin[no description available]low00peptidyl amide;
tetrapeptide		anxiogenic;
human metabolite
prostaglandin d2[no description available]low00prostaglandins Dhuman metabolite;
mouse metabolite
hexanoyl-coenzyme a[no description available]low00medium-chain fatty acyl-CoAEscherichia coli metabolite;
human metabolite;
mouse metabolite
tyrosine o-sulfate[no description available]low00aryl sulfate;
L-tyrosine derivative;
O-sulfoamino acid		human metabolite
retinaldehyde[no description available]low00retinal;
vitamin A		gap junctional intercellular communication inhibitor;
human metabolite;
mouse metabolite
n-methylproline[no description available]low00L-alpha-amino acid zwitterion;
L-proline derivative;
tertiary amino compound		human metabolite;
plant metabolite
citraconic acid[no description available]low00dicarboxylic acid;
dicarboxylic fatty acid		human metabolite
flavin mononucleotide[no description available]low00flavin mononucleotide;
vitamin B2		bacterial metabolite;
coenzyme;
cofactor;
human metabolite;
mouse metabolite
mannose 1-phosphate[no description available]low00mannose phosphatefundamental metabolite;
human metabolite
glycerylphosphorylcholine[no description available]low00phosphocholines;
sn-glycerol 3-phosphates		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neuroprotective agent;
parasympatholytic;
Saccharomyces cerevisiae metabolite
urocanic acid[no description available]low00urocanic acidhuman metabolite
cysteine sulfinic acid[no description available]low00organosulfinic acid;
S-substituted L-cysteine		Escherichia coli metabolite;
human metabolite;
metabotropic glutamate receptor agonist;
mouse metabolite
cholesterol acetate[no description available]low00acetate ester;
cholesteryl ester		human metabolite
1,6-anhydro-beta-glucopyranose[no description available]low00anhydrohexoseArabidopsis thaliana metabolite;
biomarker;
human metabolite
glycylvaline[no description available]low00dipeptidehuman metabolite
hydroxylysine[no description available]low005-hydroxylysine;
hydroxy-L-lysine		human metabolite
isobutyryl-coenzyme a[no description available]low00methyl-branched fatty acyl-CoA;
short-chain fatty acyl-CoA		human metabolite;
mouse metabolite
galactaric acid[no description available]low00hexaric acidhuman metabolite
angiotensin i, ile(5)-[no description available]low00angiotensin;
peptide zwitterion		human metabolite;
neurotransmitter agent
fructosyl-glycine[no description available]low00fructosamine;
glycine derivative;
glyco-amino acid		human metabolite
arachidoyl-coenzyme a[no description available]low0011,12-saturated fatty acyl-CoA;
long-chain fatty acyl-CoA		human metabolite
lignoceroyl-coenzyme a[no description available]low00very long-chain fatty acyl-CoAhuman metabolite;
Saccharomyces cerevisiae metabolite
5-hydroxybenzimidazole[no description available]low00benzimidazoles;
phenols		bacterial metabolite;
human metabolite;
rat metabolite
n-carbamylglutamate[no description available]low00glutamic acid derivative;
ureas		human metabolite
citramalate[no description available]low00dicarboxylic acid dianionhuman metabolite;
plant metabolite
4-cresol sulfate[no description available]low00aryl sulfategut flora metabolite;
human metabolite;
uremic toxin
leukotriene a4[no description available]low00epoxy fatty acid;
leukotriene;
long-chain fatty acid;
oxylipin;
polyunsaturated fatty acid		human metabolite;
mouse metabolite;
plant metabolite
prostaglandin b1[no description available]low00prostaglandins Bhuman metabolite
psychosine[no description available]low00glycosylsphingoidhuman metabolite
ubiquinone 9[no description available]low00ubiquinonesantioxidant;
human metabolite
11-cis-retinal[no description available]low00retinalchromophore;
human metabolite;
mouse metabolite
leukotriene c4[no description available]low00leukotrienebronchoconstrictor agent;
human metabolite;
mouse metabolite
prostaglandin f2beta[no description available]low00prostaglandins Fbetahuman metabolite
8,11,14-eicosatrienoic acid[no description available]low00fatty acid 20:3;
long-chain fatty acid		fungal metabolite;
human metabolite;
nutraceutical
15-keto-5,8,11,13-eicosatetraenoic acid[no description available]low00oxoicosatetraenoic acidhuman metabolite
15-hydroxy-5,8,11,13-eicosatetraenoic acid[no description available]low00(5Z,8Z,11Z,13E)-15-HETEhuman metabolite;
mouse metabolite
5-hydroxy-6,8,11,14-eicosatetraenoic acid[no description available]low00HETEhuman metabolite;
mouse metabolite
leukotriene d4[no description available]low00dipeptide;
leukotriene;
organic sulfide		bronchoconstrictor agent;
human metabolite;
mouse metabolite
prostaglandin a2[no description available]low00prostaglandins Ahuman metabolite
prostaglandin b2[no description available]low00prostaglandins Bhuman metabolite
prostaglandin g2[no description available]low00prostaglandins Ghuman metabolite;
mouse metabolite
9-deoxy-delta-9-prostaglandin d2[no description available]low00prostaglandins Jhuman metabolite
6-ketoprostaglandin f1 alpha[no description available]low00prostaglandins Falphahuman metabolite;
mouse metabolite
11-dehydro-thromboxane b2[no description available]low00thromboxanehuman metabolite
lipoxin a4[no description available]low00hydroxy polyunsaturated fatty acid;
lipoxin;
long-chain fatty acid		human metabolite;
metabolite
gamma-linolenic acid[no description available]low00linolenic acid;
omega-6 fatty acid		human metabolite;
mouse metabolite;
plant metabolite
prostaglandin e3[no description available]low00prostaglandins Ehuman metabolite
leukotriene f-4[no description available]low00dipeptide;
leukotriene;
organic sulfide		human metabolite
prostaglandin f1[no description available]low00prostaglandins Falphahuman metabolite
previtamin d(3)[no description available]low00D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol		human metabolite
brassicasterol[no description available]low003beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
ergostanoid;
phytosterols		algal metabolite;
animal metabolite;
biomarker;
EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor;
human metabolite;
marine metabolite;
plant metabolite;
sterol biosynthesis inhibitor
retinoyl beta-glucuronide[no description available]low00glucuronic acids;
retinoid		human metabolite
prostaglandin d3[no description available]low00prostaglandins Dhuman metabolite
glyceryl 2-arachidonate[no description available]low002-acylglycerol 20:4;
endocannabinoid		human metabolite
tocotrienol, alpha[no description available]low00tocotrienol;
vitamin E		ferroptosis inhibitor;
human metabolite;
neuroprotective agent;
plant metabolite
11-ketotestosterone[no description available]low0011-oxo steroid;
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
human metabolite;
marine xenobiotic metabolite
menatetrenone[no description available]low00menaquinoneanti-inflammatory agent;
antioxidant;
bone density conservation agent;
human metabolite;
neuroprotective agent
phthioic acid[no description available]low00branched-chain saturated fatty acid;
fatty acid 26:0;
methyl-branched fatty acid;
very long-chain fatty acid		Aspergillus metabolite;
human metabolite
2-decenoic acid[no description available]low002-decenoic acidhuman metabolite
9,11-linoleic acid[no description available]low00octadeca-9,11-dienoic acidanti-inflammatory agent;
antiatherogenic agent;
antineoplastic agent;
apoptosis inducer;
bacterial xenobiotic metabolite;
human metabolite
9-hydroxy-10,12-octadecadienoic acid[no description available]low00HODE;
octadecadienoic acid		human metabolite;
metabolite;
mouse metabolite;
plant metabolite
17-phenyltrinorprostaglandin e2[no description available]low00alicyclic ketone;
beta-hydroxy ketone;
hydroxy monocarboxylic acid;
olefinic compound;
oxo monocarboxylic acid;
prostanoid;
secondary alcohol		human metabolite;
prostaglandin receptor agonist
thromboxane b3[no description available]low00thromboxanes Bhuman metabolite;
mouse metabolite
12-hydroxy-5,8,10,14-eicosatetraenoic acid[no description available]low00(5Z,8Z,10E,14Z)-12-hydroxyicosatetraenoic acid;
HETE		human metabolite;
pro-angiogenic agent
20-hydroxy-5,8,11,14-eicosatetraenoic acid[no description available]low00HETE;
hydroxy monocarboxylic acid		human metabolite;
mouse metabolite
5-oxo-6,8,11,14-eicosatetraenoic acid[no description available]low00oxoicosatetraenoic acidhuman metabolite;
immunomodulator;
mouse metabolite
8-isoprostaglandin e2[no description available]low00cyclic ketone;
diol;
prostanoid;
secondary alcohol		bronchoconstrictor agent;
human metabolite;
rat metabolite;
vasoconstrictor agent
oleylamide[no description available]low00primary fatty amidehuman metabolite;
plant metabolite
monolinolein[no description available]low001-acylglycerol 18:2;
rac-1-monoacylglycerol		antiviral agent;
human metabolite;
plant metabolite
1,25-dihydroxy-24-oxo-vitamin d3[no description available]low00hydroxycalciol;
oxocalciol;
tertiary alpha-hydroxy ketone		human metabolite
calcifediol[no description available]low00D3 vitamins;
diol;
hydroxycalciol		bone density conservation agent;
human metabolite;
metabolite;
mouse metabolite;
nutraceutical
cerium[no description available]low00CE(18:2);
cholesteryl octadeca-9,12-dienoate		human metabolite;
mouse metabolite
xylulose[no description available]low00xyluloseEscherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
11-dehydrocorticosterone[no description available]low0011-oxo steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
corticosteroid;
primary alpha-hydroxy ketone		human metabolite;
mouse metabolite
1-butyl oleate[no description available]low00fatty acid esterhuman metabolite
erucyl amide[no description available]low0013-docosenamideEC 3.1.1.7 (acetylcholinesterase) inhibitor;
human metabolite;
mammalian metabolite;
plant metabolite;
rat metabolite
vitamin mk 8[no description available]low00menaquinoneEscherichia coli metabolite;
human metabolite
2,3-oxidosqualene[no description available]low002,3-epoxysqualenehuman metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2-keto-4-hydroxyglutarate[no description available]low00oxo dicarboxylatehuman metabolite;
Saccharomyces cerevisiae metabolite
deoxyribose[no description available]low00deoxypentosehuman metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
iditol[no description available]low00iditolfungal metabolite;
human metabolite
glutamate[no description available]low00glutamate(1-);
polar amino acid zwitterion		EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor;
human metabolite;
Saccharomyces cerevisiae metabolite
fumarates[no description available]low00butenedioate;
C4-dicarboxylate		human metabolite;
metabolite;
Saccharomyces cerevisiae metabolite
cerotate[no description available]low00fatty acid anion 26:0;
omega-methyl fatty acid anion;
very long-chain fatty acid anion		human metabolite;
Saccharomyces cerevisiae metabolite
adenosine triphosphate[no description available]low00nucleoside 5'-triphoshate(4-)cofactor;
fundamental metabolite;
human metabolite
docosapentaenoic acid[no description available]low00docosapentaenoic acid;
omega-3 fatty acid		algal metabolite;
human metabolite
3-methylbutyrylcarnitine[no description available]low00C5-acylcarnitinehuman metabolite
linoleamide[no description available]low00primary fatty amidehuman metabolite
13-cis-retinal[no description available]low00retinalhuman metabolite
4-hydroxyretinoic acid[no description available]low00retinoid;
secondary allylic alcohol		human metabolite
4-oxo-2-nonenal[no description available]low00enal;
enone		human metabolite
20,22-dihydroxycholesterol[no description available]low0020-hydroxy steroid;
22-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
cholestanoid;
oxysterol		human metabolite;
mouse metabolite
biotinate[no description available]low00monocarboxylic acid anion;
vitamin B7		cofactor;
human metabolite;
Saccharomyces cerevisiae metabolite
6 beta-hydroxycortisol[no description available]low0011beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
6beta-hydroxy steroid;
C21-steroid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mammalian metabolite;
probe
fuculose[no description available]low00deoxyketohexoseEscherichia coli metabolite;
human metabolite
gamma-glutamylvaline[no description available]low00glutamyl-L-amino acidhuman metabolite
ophthalmic acid[no description available]low00L-glutamine derivativebiomarker;
human metabolite
adenosine diphosphate[no description available]low00nucleoside 5'-diphosphate(3-)fundamental metabolite;
human metabolite
cyclic amp[no description available]low00organophosphate oxoanionhuman metabolite;
Saccharomyces cerevisiae metabolite
1,23,25-trihydroxyvitamin d3[no description available]low00D3 vitamins;
hydroxy seco-steroid;
hydroxycalciol;
tetrol		human metabolite
phosphocreatine[no description available]low00phosphagen;
phosphoamino acid		human metabolite;
mouse metabolite
arachidonoylserotonin[no description available]low00N-acylserotonin;
phenols		anti-inflammatory agent;
anticonvulsant;
antioxidant;
capsaicin receptor antagonist;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
human metabolite;
signalling molecule
homocarnosine[no description available]low00dipeptide zwitterion;
dipeptide;
homocarnosine;
L-histidine derivative;
N-acyl-L-alpha-amino acid anion;
N-acyl-L-alpha-amino acid		human metabolite
3-hydroxyproline[no description available]low003-hydroxyproline;
amino acid zwitterion;
D-proline derivative		bacterial metabolite;
human metabolite
octanoylcarnitine[no description available]low00O-octanoylcarnitine;
saturated fatty acyl-L-carnitine		human metabolite
palmitoylcarnitine[no description available]low00O-palmitoylcarnitine;
saturated fatty acyl-L-carnitine		EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
human metabolite;
mouse metabolite
cyclic 3',5'-thymidine monophosphate[no description available]low003',5'-cyclic pyrimidine nucleotidehuman metabolite
pristanal[no description available]low002-methyl-branched fatty aldehyde;
saturated fatty aldehyde		human metabolite
lanosten-3-ol-32-al[no description available]low0014alpha-formyl steroid;
3beta-sterol;
tetracyclic triterpenoid		human metabolite
thiamine pyrophosphate[no description available]low00organophosphate oxoanion;
vitamin B1		human metabolite;
Saccharomyces cerevisiae metabolite
adenosine monophosphate[no description available]low00nucleoside 5'-monophosphate(2-)cofactor;
fundamental metabolite;
human metabolite
cob(ii)alamin[no description available]low00cobalamincofactor;
human metabolite
nociceptin[no description available]low00organic molecular entity;
polypeptide		human metabolite;
rat metabolite
3-hydroxy-3-methyl-hexanoic acid[no description available]low003-hydroxy monocarboxylic acid;
volatile organic compound		human metabolite
uridine diphosphate[no description available]low00nucleoside 5'-diphosphate(3-)human metabolite;
Saccharomyces cerevisiae metabolite
n-acetylgalactosamine-1-phosphate[no description available]low00D-galactosamine 1-phosphatehuman metabolite
1-phospho-5-s-methylthioribulose[no description available]low00organophosphate oxoanionhuman metabolite;
Saccharomyces cerevisiae metabolite
10-nitro-oleic acid[no description available]low00long-chain fatty acid;
monounsaturated fatty acid;
nitro fatty acid		human metabolite
ticrynafen[no description available]low00monocarboxylic acid anion;
organophosphate oxoanion		human metabolite
s-(1,2-dicarboxyethyl)cysteine[no description available]low00L-cysteine thioether;
tricarboxylic acid		human metabolite;
Maillard reaction product
neurotensin[no description available]low00peptide hormonehuman metabolite;
mitogen;
neurotransmitter;
vulnerary
apelin-13 peptide[no description available]low00oligopeptideantihypertensive agent;
autophagy inhibitor;
biomarker;
human metabolite;
neuroprotective agent
p-Glu-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-Phe[no description available]low00polypeptideapoptosis inhibitor;
human metabolite;
neuroprotective agent
taurolithocholic acid 3-sulfate[no description available]low00steroid sulfate oxoanionhuman metabolite
inositol 1,3,4-trisphosphate[no description available]low00inositol phosphate oxoanionhuman metabolite
diadenosine tetraphosphate[no description available]low00organophosphate oxoanionhuman metabolite;
Saccharomyces cerevisiae metabolite
2-ketoarginine[no description available]low002-oxo monocarboxylic acid;
zwitterion		human metabolite;
mouse metabolite
adenosine diphosphate glucose[no description available]low00NDP-alpha-D-glucose(2-);
ribonucleoside 5'-diphosphate-alpha-D-glucose(2-)		human metabolite
nicotinate mononucleotide[no description available]low00organophosphate oxoanionhuman metabolite;
Saccharomyces cerevisiae metabolite
oleoylcarnitine[no description available]low00monounsaturated fatty acyl-L-carnitineglycine transporter 2 inhibitor;
human metabolite
uridine diphosphate n-acetylgalactosamine[no description available]low00nucleotide-sugar oxoanionhuman metabolite
6-phosphogluconolactone[no description available]low00organophosphate oxoanionhuman metabolite;
Saccharomyces cerevisiae metabolite
3-hydroxyisovalerylcarnitine[no description available]low00O-acylcarnitinehuman metabolite
angiotensin i[no description available]low00angiotensin;
peptide zwitterion		antihypertensive agent;
cardioprotective agent;
human metabolite;
rat metabolite
9-PAHSA[no description available]low00FAHFA;
long-chain fatty acid		anti-inflammatory agent;
human metabolite;
hypoglycemic agent
angiotensin i[no description available]low00angiotensin;
peptide zwitterion		human metabolite;
neurotransmitter agent
lugdunin[no description available]low00homodetic cyclic peptide;
indoles;
macrocycle;
peptide antibiotic;
thiazolidines		human metabolite;
rat metabolite
deoxyguanosine[no description available]low00purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
deoxyinosine[no description available]low00purine 2'-deoxyribonucleoside;
purines 2'-deoxy-D-ribonucleoside		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
deoxyguanosine triphosphate[no description available]low00deoxyguanosine phosphate;
guanyl deoxyribonucleotide;
purine 2'-deoxyribonucleoside 5'-triphosphate		Arabidopsis thaliana metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
7,8-dihydroneopterin[no description available]low00dihydropterin;
neopterins		Escherichia coli metabolite;
human metabolite;
metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
deoxyinosine monophosphate[no description available]low00deoxyinosine phosphate;
purine 2'-deoxyribonucleoside 5'-monophosphate		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite
guanosine diphosphate mannose[no description available]low00GDP-D-mannoseEscherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite
inosinic acid[no description available]low00inosine phosphate;
purine ribonucleoside 5'-monophosphate		Escherichia coli metabolite;
human metabolite;
mouse metabolite
inosine triphosphate[no description available]low00inosine phosphate;
purine ribonucleoside 5'-triphosphate		Escherichia coli metabolite;
human metabolite;
mouse metabolite
dyspropterin[no description available]low00biopterins;
tetrahydropterin		human metabolite;
metabolite;
mouse metabolite
8-nitroguanosine 3',5'-cyclic monophosphate[no description available]low003',5'-cyclic purine nucleotide;
C-nitro compound		biomarker;
Brassica napus metabolite;
human metabolite;
signalling molecule
n(2),n(2)-dimethylguanosine[no description available]low00methylguanosinehuman metabolite
creatinine[no description available]low00imidazolidinone;
lactam		diagnostic agent;
human metabolite
apelin-12 peptide[no description available]low00oligopeptidebiomarker;
human blood serum metabolite;
human metabolite;
neuroprotective agent
alpha-hydroxyglutarate[no description available]low002-hydroxydicarboxylic acid;
dicarboxylic fatty acid		metabolite;
mouse metabolite
alpha-ketoadipic acid[no description available]low00oxo dicarboxylic acidhuman urinary metabolite;
mouse metabolite
n-carbamoyl-beta-alanine[no description available]low00beta-alanine derivativemetabolite;
mouse metabolite
4-aminobutyraldehyde[no description available]low00aminobutanal;
omega-aminoaldehyde		Escherichia coli metabolite;
mouse metabolite
agmatine[no description available]low00guanidines;
primary amino compound		Escherichia coli metabolite;
mouse metabolite
allantoic acid[no description available]low00ureasmouse metabolite;
plant metabolite
aminoacetone[no description available]low00methyl ketone;
propanones		Escherichia coli metabolite;
mouse metabolite
hydrobromic acid[no description available]low00gas molecular entity;
hydrogen halide;
mononuclear parent hydride		mouse metabolite
butyraldehyde[no description available]low00butanalsbiomarker;
Escherichia coli metabolite;
mouse metabolite
cadaverine[no description available]low00alkane-alpha,omega-diamineDaphnia magna metabolite;
Escherichia coli metabolite;
mouse metabolite;
plant metabolite
carbamyl phosphate[no description available]low00acyl monophosphate;
one-carbon compound		Escherichia coli metabolite;
mouse metabolite
coproporphyrinogen iii[no description available]low00coproporphyrinogenEscherichia coli metabolite;
mouse metabolite
1,2-dihydroxy-1,2-dihydronaphthalene[no description available]low00dihydronaphthalenes;
naphthalenediols		bacterial xenobiotic metabolite;
mouse metabolite
4-nitrophenylphosphate[no description available]low00aryl phosphatemouse metabolite
n(1)-methylnicotinamide[no description available]low00pyridinium ionalgal metabolite;
anti-inflammatory agent;
human urinary metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
phosphonoacetaldehyde[no description available]low00phosphonic acidsmouse metabolite
gamma-guanidinobutyric acid[no description available]low00guanidines;
monocarboxylic acid;
zwitterion		fungal metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
phosphoglycolate[no description available]low00carboxyalkyl phosphateEscherichia coli metabolite;
mouse metabolite
hydrogen selenide[no description available]low00mononuclear parent hydride;
selenium hydride		Escherichia coli metabolite;
mouse metabolite
3,3-dimethylallyl pyrophosphate[no description available]low00prenol phosphateepitope;
Escherichia coli metabolite;
mouse metabolite;
phosphoantigen
diethyl phosphate[no description available]low00dialkyl phosphatehuman xenobiotic metabolite;
mouse metabolite
o,o-diethyl phosphorothionate[no description available]low00organic thiophosphatehuman xenobiotic metabolite;
mouse metabolite
carbonic acid[no description available]low00carbon oxoacid;
chalcocarbonic acid		mouse metabolite
hydantoin-5-propionic acid[no description available]low00imidazolidine-2,4-dione;
monocarboxylic acid		metabolite;
mouse metabolite
hydroxymethylbilane[no description available]low00bilanesEscherichia coli metabolite;
mouse metabolite
lactaldehyde[no description available]low00hydroxyaldehyde;
propanals		mouse metabolite
naphthalene[no description available]low00naphthalenes;
ortho-fused bicyclic arene		apoptosis inhibitor;
carcinogenic agent;
environmental contaminant;
mouse metabolite;
plant metabolite;
volatile oil component
hydroxide ion[no description available]low00oxygen hydridemouse metabolite
parathion[no description available]low00C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide		acaricide;
agrochemical;
avicide;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
mouse metabolite
phenanthrene[no description available]low00ortho-fused polycyclic arene;
ortho-fused tricyclic hydrocarbon;
phenanthrenes		environmental contaminant;
mouse metabolite
porphobilinogen[no description available]low00aralkylamino compound;
dicarboxylic acid;
pyrroles		Escherichia coli metabolite;
metabolite;
mouse metabolite
propylene glycol[no description available]low00glycol;
propane-1,2-diols		allergen;
human xenobiotic metabolite;
mouse metabolite;
protic solvent
pyridoxine 5-phosphate[no description available]low00vitamin B6 phosphateEscherichia coli metabolite;
mouse metabolite
succinic semialdehyde[no description available]low00aldehydic acidEscherichia coli metabolite;
mouse metabolite
tartronate semialdehyde[no description available]low002-hydroxy monocarboxylic acid;
3-oxo monocarboxylic acid;
aldehyde		Escherichia coli metabolite;
mouse metabolite
uroporphyrinogen iii[no description available]low00uroporphyrinogenEscherichia coli metabolite;
mouse metabolite
isopentenyl pyrophosphate[no description available]low00prenol phosphateantigen;
antioxidant;
epitope;
Escherichia coli metabolite;
mouse metabolite;
phosphoantigen
adrenic acid[no description available]low00docosatetraenoic acidmouse metabolite
benzo(a)pyrene[no description available]low00ortho- and peri-fused polycyclic arenecarcinogenic agent;
mouse metabolite
quinone[no description available]low001,4-benzoquinonescofactor;
human xenobiotic metabolite;
mouse metabolite
1,7-dimethylxanthine[no description available]low00dimethylxanthinecentral nervous system stimulant;
human blood serum metabolite;
human xenobiotic metabolite;
mouse metabolite
theobromine[no description available]low00dimethylxanthineadenosine receptor antagonist;
bronchodilator agent;
food component;
human blood serum metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
uridine diphosphate[no description available]low00pyrimidine ribonucleoside 5'-diphosphate;
uridine 5'-phosphate		Escherichia coli metabolite;
mouse metabolite
cytidine diphosphate[no description available]low00cytidine 5'-phosphate;
pyrimidine ribonucleoside 5'-diphosphate		Escherichia coli metabolite;
mouse metabolite
uridine triphosphate[no description available]low00pyrimidine ribonucleoside 5'-triphosphate;
uridine 5'-phosphate		Escherichia coli metabolite;
mouse metabolite
cytidine triphosphate[no description available]low00cytidine 5'-phosphate;
pyrimidine ribonucleoside 5'-triphosphate		Escherichia coli metabolite;
mouse metabolite
1-naphthaldehyde[no description available]low00naphthaldehydemouse metabolite
2-naphthaldehyde[no description available]low00naphthaldehydemouse metabolite
methylamine[no description available]low00methylamines;
one-carbon compound;
primary aliphatic amine		mouse metabolite
ethylene oxide[no description available]low00gas molecular entity;
oxacycle;
saturated organic heteromonocyclic parent		allergen;
mouse metabolite;
mutagen
vinylidene chloride[no description available]low00chloroethenescarcinogenic agent;
mouse metabolite;
mutagen
trichloroacetaldehyde[no description available]low00aldehyde;
organochlorine compound		mouse metabolite
gibberellic acid[no description available]low00C19-gibberellin;
gibberellin monocarboxylic acid;
lactone;
organic heteropentacyclic compound		mouse metabolite;
plant metabolite
pyridoxic acid[no description available]low00hydroxymethylpyridine;
methylpyridines;
monohydroxypyridine;
vitamin B6		human urinary metabolite;
mouse metabolite
1-nitronaphthalene[no description available]low00mononitronaphthaleneenvironmental contaminant;
mouse metabolite
beta-glucono-1,5-lactone[no description available]low00aldono-1,5-lactone;
gluconolactone		animal metabolite;
mouse metabolite
2-naphthoic acid[no description available]low00naphthoic acidmouse metabolite;
xenobiotic metabolite
methylphenyl carbinol[no description available]low00aromatic alcoholmouse metabolite
styrene[no description available]low00styrenes;
vinylarene;
volatile organic compound		mouse metabolite;
mutagen;
plant metabolite
2-phenylacetamide[no description available]low00monocarboxylic acid amidemouse metabolite
ethylene dibromide[no description available]low00bromoalkane;
bromohydrocarbon		algal metabolite;
carcinogenic agent;
fumigant;
marine metabolite;
mouse metabolite;
mutagen
2-heptanone[no description available]low00dialkyl ketone;
methyl ketone		mouse metabolite;
pheromone
D-proline[no description available]low00D-alpha-amino acid zwitterion;
D-alpha-amino acid;
proline		mouse metabolite
paraoxon[no description available]low00aryl dialkyl phosphate;
organophosphate insecticide		EC 3.1.1.7 (acetylcholinesterase) inhibitor;
mouse metabolite
aminoimidazole carboxamide[no description available]low00aminoimidazole;
monocarboxylic acid amide		mouse metabolite
methyl-4-tyramine[no description available]low00tyraminesmouse metabolite
phosphoadenosine phosphosulfate[no description available]low00acyl sulfate;
adenosine bisphosphate;
purine ribonucleoside bisphosphate		Escherichia coli metabolite;
mouse metabolite
adenosine phosphosulfate[no description available]low00acyl monophosphate;
acyl sulfate;
adenosine 5'-phosphate		Escherichia coli metabolite;
mouse metabolite
fructose-1,6-diphosphate[no description available]low00D-fructofuranose 1,6-bisphosphatemouse metabolite
hydroxyhydroquinone[no description available]low00benzenetriolmouse metabolite
1,2-dihydroxynaphthalene[no description available]low00naphthalenediolmouse metabolite
propiolaldehyde[no description available]low00terminal acetylenic compound;
ynal		mouse metabolite
phenylphosphate[no description available]low00aryl phosphatemouse metabolite
n-cyclohexylformamide[no description available]low00alicyclic compound;
formamides		mouse metabolite
deoxycytidine monophosphate[no description available]low002'-deoxycytidine phosphate;
pyrimidine 2'-deoxyribonucleoside 5'-monophosphate		Escherichia coli metabolite;
mouse metabolite
nicotinamide mononucleotide[no description available]low00nicotinamide mononucleotideEscherichia coli metabolite;
mouse metabolite
dihydroferulic acid[no description available]low00guaiacols;
monocarboxylic acid;
phenylpropanoid		antioxidant;
human xenobiotic metabolite;
mouse metabolite;
plant metabolite
2'-deoxyadenosine triphosphate[no description available]low002'-deoxyadenosine 5'-phosphate;
purine 2'-deoxyribonucleoside 5'-triphosphate		Escherichia coli metabolite;
mouse metabolite
fucose[no description available]low00fucopyranose;
L-fucose		Escherichia coli metabolite;
mouse metabolite
uridine diphosphate galactose[no description available]low00UDP-D-galactosemouse metabolite
diadenosine tetraphosphate[no description available]low00diadenosyl tetraphosphateEscherichia coli metabolite;
mouse metabolite
d-glutamate[no description available]low00D-alpha-amino acid;
glutamic acid		Escherichia coli metabolite;
mouse metabolite
hydroiodic acid[no description available]low00gas molecular entity;
hydrogen halide;
mononuclear parent hydride		mouse metabolite
trichloroepoxyethane[no description available]low00epoxidemouse metabolite
adenosine diphosphate ribose[no description available]low00ADP-sugarEscherichia coli metabolite;
mouse metabolite
phosphopantothenic acid[no description available]low00amidoalkyl phosphateEscherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
cyromazine[no description available]low00triamino-1,3,5-triazinemouse metabolite;
triazine insecticide
thymidine 5'-triphosphate[no description available]low00pyrimidine 2'-deoxyribonucleoside 5'-triphosphate;
thymidine phosphate		Escherichia coli metabolite;
mouse metabolite
2'-deoxyuridylic acid[no description available]low00deoxyuridine phosphate;
pyrimidine 2'-deoxyribonucleoside 5'-monophosphate		Escherichia coli metabolite;
metabolite;
mouse metabolite
obtusifoliol[no description available]low0014alpha-methyl steroid;
3beta-sterol		mouse metabolite;
plant metabolite
3'-cmp[no description available]low00cytidine 3'-phosphate;
pyrimidine ribonucleoside 3'-monophosphate		Escherichia coli metabolite;
metabolite;
mouse metabolite
7-methylxanthine[no description available]low00oxopurine;
purine alkaloid		human xenobiotic metabolite;
mouse metabolite;
plant metabolite
cifostodine[no description available]low002',3'-cyclic pyrimidine nucleotideEscherichia coli metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite
n'-methyl-2-pyridone-5-carboxamide[no description available]low00methylpyridines;
pyridinecarboxamide;
pyridone		metabolite;
mouse metabolite
1-methyluric acid[no description available]low00oxopurinehuman xenobiotic metabolite;
mouse metabolite
cyclopropylamine[no description available]low00primary aliphatic aminemouse metabolite
6-hydroxynicotinic acid[no description available]low00monohydroxypyridineArabidopsis thaliana metabolite;
human urinary metabolite;
mouse metabolite
xanthosine 5'-triphosphate[no description available]low00purine ribonucleoside 5'-monophosphate;
xanthosine 5'-phosphate		Escherichia coli metabolite;
metabolite;
mouse metabolite
2-naphthalenemethanol[no description available]low00naphthylmethanolmouse metabolite;
xenobiotic metabolite
xanthurenic acid 8-methyl ether[no description available]low00aromatic ether;
monohydroxyquinoline;
quinolinemonocarboxylic acid		carcinogenic agent;
metabolite;
mouse metabolite
glucose[no description available]low00D-glucopyranosemouse metabolite
1,3,7-trimethylurate[no description available]low00oxopurinehuman blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite
1-methylxanthine[no description available]low001-methylxanthinemouse metabolite
3,7-dimethyluric acid[no description available]low00oxopurinemetabolite;
mouse metabolite
biocytin[no description available]low00azabicycloalkane;
L-alpha-amino acid zwitterion;
L-lysine derivative;
monocarboxylic acid amide;
non-proteinogenic L-alpha-amino acid;
thiabicycloalkane;
ureas		mouse metabolite
d-aspartic acid[no description available]low00aspartic acid;
D-alpha-amino acid		mouse metabolite
3,4-dihydroxyphenylglycol[no description available]low00catechols;
tetrol		metabolite;
mouse metabolite
homocysteine[no description available]low00amino acid zwitterion;
homocysteine;
serine family amino acid		fundamental metabolite;
mouse metabolite
1,7-dimethyluric acid[no description available]low00oxopurinehuman xenobiotic metabolite;
mouse metabolite
24-methylenecholesterol[no description available]low003beta-hydroxy-Delta(5)-steroid;
3beta-sterol		mouse metabolite
succinyl-coenzyme a[no description available]low00omega-carboxyacyl-CoAEscherichia coli metabolite;
inhibitor;
mouse metabolite
acetoacetyl coa[no description available]low003-oxo-fatty acyl-CoAEscherichia coli metabolite;
mouse metabolite
2,8-dihydroxyadenine[no description available]low006-aminopurines;
diol;
heteroaryl hydroxy compound;
oxopurine		human urinary metabolite;
mammalian metabolite;
mouse metabolite;
nephrotoxic agent
propionyl-coenzyme a[no description available]low00acyl-CoAEscherichia coli metabolite;
metabolite;
mouse metabolite
21-deoxycortisol[no description available]low0011beta-hydroxy steroid;
17alpha-hydroxy-C21-steroid;
deoxycortisol;
tertiary alpha-hydroxy ketone		human blood serum metabolite;
mouse metabolite
stearoyl-coenzyme a[no description available]low0011,12-saturated fatty acyl-CoA;
long-chain fatty acyl-CoA		Escherichia coli metabolite;
mouse metabolite
imidazoleacetic acid[no description available]low00imidazoles;
monocarboxylic acid		metabolite;
mouse metabolite
1-hydroxyphenanthrene[no description available]low00phenanthrolmouse metabolite
2,5-dihydroxypyridine[no description available]low00dihydroxypyridinemouse metabolite
cerium[no description available]low00cholesteryl estermouse metabolite
6,6-dimethyl-2-methylenebicyclo(3.1.1)heptan-3-ol[no description available]low00carbobicyclic compound;
pinane monoterpenoid;
secondary alcohol		GABA modulator;
mouse metabolite;
plant metabolite;
volatile oil component
ecgonine methyl ester[no description available]low00methyl ester;
tertiary amino compound;
tropane alkaloid		analgesic;
central nervous system depressant;
metabolite;
mouse metabolite;
opioid analgesic;
peripheral nervous system drug
cholest-5-en-3 beta,7 alpha-diol[no description available]low003beta-hydroxy-Delta(5)-steroid;
7alpha-hydroxy steroid;
oxysterol		mouse metabolite
s-chloromethylglutathione[no description available]low00organochlorine compound;
S-substituted glutathione		alkylating agent;
bacterial xenobiotic metabolite;
mouse metabolite
5-acetylamino-6-formylamino-3-methyluracil[no description available]low00formamidopyrimidinemouse metabolite
anserine[no description available]low00beta-alanine derivative;
dipeptide;
zwitterion		animal metabolite;
mouse metabolite
5,6-dihydroxyindole[no description available]low00dihydroxyindolemouse metabolite
5,6-dihydroxy-2-indolylcarboxylic acid[no description available]low00dihydroxyindolemouse metabolite
protoporphyrinogen[no description available]low00porphyrinogensEscherichia coli metabolite;
mouse metabolite
inositol-3,4,5,6-tetrakisphosphate[no description available]low00myo-inositol tetrakisphosphatemouse metabolite
24-hydroxycholesterol[no description available]low0024-hydroxycholesterolbiomarker;
human blood serum metabolite;
mouse metabolite
phytosphingosine[no description available]low00amino alcohol;
sphingoid;
triol		mouse metabolite;
Saccharomyces cerevisiae metabolite
butyryl-coenzyme a[no description available]low00butanoyl-CoAsEscherichia coli metabolite;
mouse metabolite
n-acetylputrescine[no description available]low00N-monoacetylalkane-alpha,omega-diamine;
N-substituted putrescine		metabolite;
mouse metabolite
cdp ethanolamine[no description available]low00nucleotide-(amino alcohol)s;
phosphoethanolamine		mouse metabolite
galactose-1-phosphate[no description available]low00alpha-D-hexose 1-phosphate;
D-galactopyranose 1-phosphate		Escherichia coli metabolite;
mouse metabolite
1-myristoyl-2-palmitoyl-sn-glycero-3-phosphocholine[no description available]low001-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine;
phosphatidylcholine 30:0;
tetradecanoate ester		mouse metabolite
d-glutamine[no description available]low00amino acid zwitterion;
D-alpha-amino acid;
glutamine		mouse metabolite
diquafosol[no description available]low00pyrimidine ribonucleoside 5'-tetraphosphate;
uridine 5'-phosphate		mouse metabolite;
P2Y2 receptor agonist
19-hydroxytestosterone[no description available]low0017beta-hydroxy steroid;
19-hydroxy steroid;
3-oxo-Delta(4) steroid		mouse metabolite
2-hydroxy-1,4-benzoquinone[no description available]low00monohydroxy-1,4-benzoquinonesmouse metabolite
sorbitol 6-phosphate[no description available]low00alditol 6-phosphate;
glucitol phosphate		Escherichia coli metabolite;
mouse metabolite
adenosine 3'-phosphate-5'-phosphate[no description available]low00adenosine bisphosphateEscherichia coli metabolite;
mouse metabolite
alpha-ribazole[no description available]low001-ribosylbenzimidazole;
dimethylbenzimidazole		Escherichia coli metabolite;
mouse metabolite
saicar[no description available]low001-(phosphoribosyl)imidazolecarboxamideEscherichia coli metabolite;
mouse metabolite
thymidine 5'-diphosphate[no description available]low00pyrimidine 2'-deoxyribonucleoside 5'-diphosphate;
thymidine phosphate		Escherichia coli metabolite;
mouse metabolite
hydromethylthionine[no description available]low00aromatic amine;
phenothiazines;
tertiary amino compound		bacterial xenobiotic metabolite;
fluorochrome;
mouse metabolite;
rat metabolite
5-hydroxykynuramine[no description available]low00hydroxykynurenamine;
primary amino compound		mouse metabolite
sedoheptulose 1,7-bisphosphate[no description available]low00ketoheptose phosphate;
sedoheptulose derivative		Escherichia coli metabolite;
mouse metabolite
diadenosine triphosphate[no description available]low00diadenosyl triphosphatemouse metabolite
carboxyaminoimidazole ribotide[no description available]low001-(phosphoribosyl)imidazole;
aminoimidazole;
imidazole-4-carboxylic acid		Escherichia coli metabolite;
mouse metabolite
isovaleryl-coenzyme a[no description available]low00methylbutanoyl-CoA;
short-chain fatty acyl-CoA		mouse metabolite
lauroyl-coenzyme a[no description available]low00medium-chain fatty acyl-CoAEscherichia coli metabolite;
mouse metabolite
phenylacetyl-coenzyme a[no description available]low00acyl-CoAEscherichia coli metabolite;
metabolite;
mouse metabolite
5-formamidoimidazole-4-carboxamide ribotide[no description available]low001-(phosphoribosyl)imidazolecarboxamideEscherichia coli metabolite;
mouse metabolite
gamma-glutamyl phosphate[no description available]low00gamma-glutamyl phosphateEscherichia coli metabolite;
mouse metabolite
5-amino-6-ribitylamino-2,4-(1h,3h)pyrimidinedione[no description available]low00aminouracil;
hydroxypyrimidine		Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
androstane-3,17-dione, (5alpha)-isomer[no description available]low003-oxo-5alpha-steroid;
androstane-3,17-dione		mouse metabolite
19-hydroxy-4-androstene-3,17-dione[no description available]low0017-oxo steroid;
19-hydroxy steroid;
3-oxo steroid;
androstanoid		mouse metabolite
glyceraldehyde 3-phosphate[no description available]low00glyceraldehyde 3-phosphatemouse metabolite
ribulose 5-phosphate[no description available]low00ribulose 5-phosphatemouse metabolite
xylulose-5-phosphate, (d)-isomer[no description available]low00xylulose 5-phosphateEscherichia coli metabolite;
mouse metabolite
glycerate 1,3-biphosphate[no description available]low002,3-bisphosphoglyceric acid;
acyl monophosphate		Escherichia coli metabolite;
mouse metabolite
arabinose[no description available]low00L-arabinoseEscherichia coli metabolite;
mouse metabolite
xanthosine 5'-triphosphate[no description available]low00purine ribonucleoside 5'-triphosphate;
xanthosine 5'-phosphate		Escherichia coli metabolite;
mouse metabolite
galactose[no description available]low00D-galactopyranoseepitope;
mouse metabolite
galactose[no description available]low00D-galactopyranosemouse metabolite
s-adenosyl-3-methylthiopropylamine[no description available]low00adenosines;
sulfonium compound		Escherichia coli metabolite;
human urinary metabolite;
mouse metabolite;
rat metabolite
6-phosphonoglucono-delta-lactone[no description available]low00aldonolactone phosphateEscherichia coli metabolite;
mouse metabolite
inositol 1,4,5-trisphosphate[no description available]low00myo-inositol trisphosphatemouse metabolite
stachyose[no description available]low00raffinose family oligosaccharide;
tetrasaccharide		mouse metabolite;
plant metabolite
ketodihydrosphingosine[no description available]low002-amino-1-hydroxyoctadecan-3-onemouse metabolite
androstane-3,17-dione, (5beta)-isomer[no description available]low003-oxo-5beta-steroid;
androstane-3,17-dione		mouse metabolite
pantothenylcysteine 4'-phosphate[no description available]low00L-cysteine derivativeEscherichia coli metabolite;
mouse metabolite
dehydroascorbic acid[no description available]low00dehydroascorbic acid;
vitamin C		coenzyme;
mouse metabolite
beta-sulfopyruvic acid[no description available]low00carboxyalkanesulfonic acidmouse metabolite
2-hydroxypropylphosphonic acid[no description available]low00phosphonic acids;
secondary alcohol		mouse metabolite
inositol-1,4,5,6-tetrakisphosphate[no description available]low00myo-inositol tetrakisphosphatemouse metabolite
n(1)-(5-phosphoribosyl)-5,6-dimethylbenzimidazole[no description available]low001-ribosylbenzimidazole;
dimethylbenzimidazole;
ribose monophosphate		Escherichia coli metabolite;
mouse metabolite
prostaglandin h2[no description available]low00olefinic compound;
oxylipin;
prostaglandins H;
secondary alcohol		mouse metabolite
farnesyl pyrophosphate[no description available]low00farnesyl diphosphateEscherichia coli metabolite;
mouse metabolite
geranyl pyrophosphate[no description available]low00polyprenyl diphosphateEscherichia coli metabolite;
mouse metabolite
1,5-dihydro-fad[no description available]low00flavin adenine dinucleotideEscherichia coli metabolite;
mouse metabolite
s-hydroxymethylglutathione[no description available]low00S-substituted glutathioneEscherichia coli metabolite;
mouse metabolite
geranylgeranyl pyrophosphate[no description available]low00geranylgeranyl diphosphatemouse metabolite
cytidine monophosphate n-acetylneuraminic acid[no description available]low00CMP-N-acyl-beta-neuraminic acidmouse metabolite
4-phosphoerythronate[no description available]low004-phosphoerythronic acidEscherichia coli metabolite;
mouse metabolite
colfosceril palmitate[no description available]low001-acyl-2-hexadecanoyl-sn-glycero-3-phosphocholine;
phosphatidylcholine 32:0		mouse metabolite;
surfactant
lyso-pc[no description available]low001-O-acyl-sn-glycero-3-phosphocholine;
lysophosphatidylcholine 16:0		mouse metabolite
3-hydroxybutyryl-coenzyme a[no description available]low003-hydroxyacyl-CoA;
hydroxybutanoyl-CoA		mouse metabolite
palmitoyl coenzyme a[no description available]low0011,12-saturated fatty acyl-CoA;
3-substituted propionyl-CoA;
long-chain fatty acyl-CoA;
palmitoyl bioconjugate		Escherichia coli metabolite;
mouse metabolite
dihydrosphingosine 1-phosphate[no description available]low00sphingoid 1-phosphatemouse metabolite
coniferyl alcohol[no description available]low00guaiacols;
phenylpropanoid		animal metabolite;
monolignol;
mouse metabolite;
pheromone;
plant metabolite;
volatile oil component
raphanusamic acid[no description available]low00thiazolidinemonocarboxylic acidArabidopsis thaliana metabolite;
mouse metabolite;
xenobiotic metabolite
glutaryl-coenzyme a[no description available]low00glutaryl-CoAsmouse metabolite
arachidonic acid 5-hydroperoxide[no description available]low005-HPETEmouse metabolite
arachidonic acid omega-9 hydroperoxide[no description available]low00HPETEmouse metabolite
15-hydroperoxy-5,8,11,13-eicosatetraenoic acid, (s)-(e,z,z,z)-isomer[no description available]low0015-HPETEmouse metabolite
1-palmitoyl-2-oleoyl-sn-glycerol[no description available]low001,2-diacyl-sn-glycerol;
1-palmitoyl-2-oleoylglycerol		mouse metabolite
11,12-dihydroxyeicosatrienoic acid[no description available]low00DHETmouse metabolite
14,15-dihydroxyeicosatrienoic acid[no description available]low00DHET;
diol;
secondary allylic alcohol		mouse metabolite
5,6-epoxy-8,11,14-eicosatrienoic acid[no description available]low00EETmouse metabolite
8,9-epoxyeicosatrienoic acid[no description available]low00EETmouse metabolite
1-palmitoyl-2-oleoylphosphatidylethanolamine, (z & r)-isomer[no description available]low001,2-diacyl-sn-glycero-3-phosphoethanolamine;
phosphatidylethanolamine 34:1 zwitterion;
phosphatidylethanolamine		mouse metabolite
sphingosine 1-phosphate[no description available]low00sphingoid 1-phosphatemouse metabolite;
signalling molecule;
sphingosine-1-phosphate receptor agonist;
T-cell proliferation inhibitor;
vasodilator agent
cholesteryl oleate[no description available]low00CE(18:1);
cholesteryl octadec-9-enoate		mouse metabolite
stearidonic acid[no description available]low00long-chain fatty acid;
octadecatetraenoic acid;
omega-3 fatty acid		Daphnia galeata metabolite;
mouse metabolite;
plant metabolite
trilinolein[no description available]low001,2-diacyl-3-linoleoylglycerol;
1,3-diacyl-2-linoleoylglycerol;
linoleoyl containing 1,2,3-triacyl-sn-glycerol;
TG(18:2/18:2/18:2);
triglyceride		mouse metabolite
monodehydroascorbate[no description available]low00organic radicalmouse metabolite
oleoyl-coenzyme a[no description available]low00octadecenoyl-CoAEscherichia coli metabolite;
mouse metabolite
vitamin a2[no description available]low00retinoid;
vitamin A		human xenobiotic metabolite;
marine xenobiotic metabolite;
mouse metabolite
1,2-dioleoylphosphatidylserine[no description available]low00phosphatidylserine(18:1/18:1)mouse metabolite
5-hydroxy-6,8,11,14,17-eicosapentaenoic acid[no description available]low00HEPEmouse metabolite
1-stearoyl-2-linoleoylphosphatidylcholine[no description available]low00phosphatidylcholine 36:2mouse metabolite
1-stearoyl-2-linoleoyl-sn-glycerol[no description available]low001,2-diacyl-sn-glycerol;
diacylglycerol 36:2		mouse metabolite
1-palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine[no description available]low00phosphatidylcholine 38:6mouse metabolite
13(S)-HODE[no description available]low00HODEantineoplastic agent;
human xenobiotic metabolite;
mouse metabolite
1-stearoyl-2-oleoyl-sn-glycerol[no description available]low001,2-diacyl-sn-glycerol;
1-stearoyl-2-oleoylglycerol;
diacylglycerol 36:1		mouse metabolite
1-palmitoyl-2-palmitoleoyl-sn-glycero-3-phosphocholine[no description available]low001-acyl-2-palmitoleoyl-sn-glycero-3-phosphocholine;
phosphatidylcholine 32:1		mouse metabolite
13-oxo-9,11-octadecadienoic acid[no description available]low0013-oxo-9,11-octadecadienoic acidmetabolite;
mouse metabolite
n-stearoylsphingomyelin[no description available]low00sphingomyelin 36:1;
sphingomyelin d18:1		mouse metabolite
cholesteryl arachidonate[no description available]low00cholesteryl icosatetraenoateantibacterial agent;
mouse metabolite
acryloyl-coenzyme a[no description available]low002-enoyl-CoA;
monounsaturated fatty acyl-CoA		mouse metabolite
samarium[no description available]low00sphingomyelin d18:1/16:0mouse metabolite
n-palmitoylgalactosylsphingosine[no description available]low00HexCer(d18:1/16:0);
N-acyl-beta-D-galactosylsphingosine		mouse metabolite
s-tetradecanoyl-coenzyme a[no description available]low0011,12-saturated fatty acyl-CoA;
long-chain fatty acyl-CoA		Escherichia coli metabolite;
mouse metabolite
prosomatostatin[no description available]low00heterodetic cyclic peptide;
peptide hormone		fungal metabolite;
mouse metabolite;
rat metabolite
phosphatidylcholines[no description available]low00phosphatidylcholine 40:6mouse metabolite
cyclosporine[no description available]low00keto-disaccharidemouse metabolite
g(m3) ganglioside[no description available]low00alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide;
sialodiosylceramide;
sialotriaosylceramide		mouse metabolite
diguanosine tetraphosphate[no description available]low00guanosine 5'-phosphate;
purine ribonucleoside 5'-tetraphosphate		Escherichia coli metabolite;
mouse metabolite
2'-deoxyguanosine 5'-phosphate[no description available]low00deoxyguanosine phosphate;
guanyl deoxyribonucleotide;
purine 2'-deoxyribonucleoside 5'-monophosphate		Escherichia coli metabolite;
mouse metabolite
dihydrofolate[no description available]low00dihydrofolic acidsEscherichia coli metabolite;
mouse metabolite
dihydroneopterin triphosphate[no description available]low00dihydropterin;
neopterins;
pterin phosphate		Escherichia coli metabolite;
mouse metabolite
2'-deoxyinosine triphosphate[no description available]low00deoxyinosine phosphate;
purine 2'-deoxyribonucleoside 5'-triphosphate		Escherichia coli metabolite;
mouse metabolite
guanosine diphosphate[no description available]low00guanosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate		Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor
gdp-4-keto-6-deoxymannose[no description available]low00GDP-sugarEscherichia coli metabolite;
mouse metabolite
guanosine pentaphosphate[no description available]low00guanosine 5'-phosphate;
guanosine bisphosphate		Escherichia coli metabolite;
mouse metabolite
guanosine monophosphate[no description available]low00guanosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate		biomarker;
Escherichia coli metabolite;
metabolite;
mouse metabolite
guanosine triphosphate[no description available]low00guanosine 5'-phosphate;
purine ribonucleoside 5'-triphosphate		Escherichia coli metabolite;
mouse metabolite;
uncoupling protein inhibitor
guanosine tetraphosphate[no description available]low00guanosine bisphosphateEscherichia coli metabolite;
mouse metabolite
5,10-methenyltetrahydrofolate[no description available]low00methylenetetrahydrofolic acidEscherichia coli metabolite;
mouse metabolite
10-formyltetrahydrofolate[no description available]low00formyltetrahydrofolic acidEscherichia coli metabolite;
mouse metabolite
squalamine[no description available]low00bile acid
msi 1436[no description available]low00bile acid
dehydroeburicoic acid[no description available]low00bile acid
antcin k[no description available]low00bile acidmetabolite
ConditionIndicatedRelationship StrengthStudiesTrials
Abdominal Cramps0medium41
Abdominal Migraine0medium73
Abdominal Obesity0low10
Abdominal Pain0medium11
Abnormal Deep Tendon Reflex0low10
Abnormal Reflex0low10
Abnormal Reflexes0low10
Abnormalities, Autosome0low20
Abnormalities, Chromosomal0low20
Abnormalities, Chromosome0low20
Abnormalities, Drug-Induced0low10
Abnormalities, Multiple0low10
Absence Seizure0low10
Absence Seizures0low10
Academic Disorder, Developmental0low10
Ache0low20
Acquired Metabolic Diseases, Brain0low120
Acquired Metabolic Diseases, Nervous System0low120
Acquired Metabolic Encephalopathies0low120
Acquired Nephrogenic Diabetes Insipidus0low10
Acute Bacterial Prostatitis0low10
Acute Confusional Migraine0medium73
Acute Confusional Senile Dementia0low10
Acute Disease0medium192
Acute Edematous Pancreatitis0medium121
Acute Hepatic Failure0low10
Acute Kidney Failure0medium41
Acute Kidney Injury0medium41
Acute Kidney Insufficiency0medium41
Acute Liver Failure0low10
Acute Liver Injury, Drug-Induced0medium553
Acute Lung Injury0low10
Acute Myelogenous Leukemia0low10
Acute Myeloid Leukemia0low10
Acute Myeloid Leukemia with Maturation0low10
Acute Myeloid Leukemia without Maturation0low10
Acute Necrotizing Pancreatitis0low10
Acute Pancreatitis0medium121
Acute Promyelocytic Leukemia0low10
Acute Renal Failure0medium41
Acute Renal Injury0medium41
Acute Renal Insufficiency0medium41
Acute Respiratory Distress Syndrome0low20
ADDH0low10
Adenocarcinoma0medium161
Adenocarcinoma of Lung0low10
Adenocarcinoma, Basal Cell0medium161
Adenocarcinoma, Granular Cell0medium161
Adenocarcinoma, Oxyphilic0medium161
Adenocarcinoma, Tubular0medium161
Adenoma0low120
Adenoma, Basal Cell0low120
Adenoma, Bile Duct0medium21
Adenoma, Follicular0low120
Adenoma, Islet Cell0low10
Adenoma, Malignant0medium161
Adenoma, Microcystic0low120
Adenoma, Monomorphic0low120
Adenoma, Papillary0low120
Adenoma, Trabecular0low120
Adenomatous Polyposis Coli0low30
Adenomatous Polyposis Coli, Familial0low30
Adenomatous Polyposis of the Colon0low30
Adenosis of Breast0low10
ADH-Resistant Diabetes Insipidus0low10
Adiadochokinesis0low30
Adjuvant Arthritis0low10
Adrenal Hyperplasia, Congenital, Due To Cytochrome P450 Oxidoreductase Deficiency0low10
Adult Learning Disabilities0low10
Adult Learning Disorders0low10
Adult Respiratory Distress Syndrome0low20
Adverse Drug Event0low30
Adverse Drug Reaction0low30
Age-Related Osteoporosis0low30
Aging0medium131
Airway Remodeling0low10
Airway Remodelling0low10
Airway Wall Remodelling0low10
Alagille Syndrome0low20
Alagille Syndrome 10low20
Alagille Syndrome 20low20
Alagille Watson Syndrome0low20
Alagille-Watson Syndrome0low20
Alagille's Syndrome0low20
Albuminuria0low20
Alcohol Abuse0low60
Alcohol Addiction0low60
Alcohol Dependence0low60
Alcohol Use Disorder0low60
Alcoholic Cirrhosis0low110
Alcoholic Fatty Liver0low30
Alcoholic Intoxication, Chronic0low60
Alcoholic Liver Diseases0low20
Alcoholic Steatohepatitis0low30
Alcoholism0low60
Allergic Encephalomyelitis0low10
Allergic Encephalomyelitis, Experimental0low10
Allergy, Drug0low20
Alloxan Diabetes0low140
alpha 1-Antitrypsin Deficiency0low10
Alveolitis, Fibrosing0low40
Alzheimer Dementia0low10
Alzheimer Disease0low10
Alzheimer Disease, Early Onset0low10
Alzheimer Disease, Late Onset0low10
Alzheimer Sclerosis0low10
Alzheimer Syndrome0low10
Alzheimer Type Senile Dementia0low10
Alzheimer-Type Dementia (ATD)0low10
Alzheimer's Disease0low10
Alzheimer's Disease, Focal Onset0low10
Alzheimer's Diseases0low10
Ambiguous Genitalia0low10
Amentia0low20
AML M30low10
Amyloidosis0low20
Anasarca0low20
Anemia, Fanconi0low10
Anemia, Hemolytic0low50
Anemia, Hemolytic, Acquired0low50
Anemia, Microangiopathic0low50
Anemia, Sickle Cell0low10
Angioedema0low10
Angiogenesis, Pathologic0low20
Angiogenesis, Pathological0low20
Angioneurotic Edema0low10
ANLL0low10
ANS (Autonomic Nervous System) Diseases0low10
ANS Diseases0low10
Antibody Deficiency Syndrome0low10
Antley-Bixler Syndrome0low10
Antley-Bixler Syndrome Phenotype0low10
Antley-Bixler Syndrome with Disordered Steroidogenesis0low10
Antley-Bixler Syndrome-Like Phenotype With Disordered Steroidogenesis0low10
Antley-Bixler Syndrome, Autosomal Dominant0low10
Anxiety0low10
Apolipoprotein B-100, Familial Defective0medium52
Apolipoprotein B-100, Familial Ligand-Defective0medium52
Apoplexy0low10
ARDS, Human0low20
Arterial Diseases, Carotid0low10
Arterial Diseases, Common Carotid0low10
Arterial Diseases, External Carotid0low10
Arterial Diseases, Internal Carotid0low10
Arteriohepatic Dysplasia0low20
Arteriohepatic Dysplasia (AHD)0low20
Arteriosclerosis0low40
Arteriosclerosis, Coronary0low10
Arthritis, Adjuvant0low10
Arthritis, Adjuvant-Induced0low10
Arthritis, Collagen-Induced0low10
Arthritis, Degenerative0low30
Arthritis, Experimental0low10
Arthritis, Rheumatoid0low50
Arthroses0low30
Arthrosis0low30
Ascites0low40
Ascorbic Acid Deficiency0low10
Aspiration, Meconium0low10
Aspiration, Respiratory0low10
Asthma0low30
Asthma, Bronchial0low30
Asthmatic Airway Remodeling0low10
Asthmatic Airway Remodelling0low10
Asthmatic Airway Wall Remodeling0low10
Asthmatic Airway Wall Remodelling0low10
Astigmatism0low10
Astrocytoma, Grade IV0low30
Asymptomatic Inflammatory Prostatitis0low10
Asystole0low10
Ataxia0low40
Ataxia of Gait0low10
Ataxia, Appendicular0low40
Ataxia, Cerebellar0low30
Ataxia, Limb0low40
Ataxia, Motor0low40
Ataxia, Sensory0low40
Ataxia, Truncal0low40
Ataxy0low40
Atheroembolism0low10
Atherogenesis0low50
Atherosclerosis0low50
Atherosclerosis, Coronary0low10
Atherosclerotic Disease, Carotid0low10
Atonic Absence Seizure0low10
Atonic Absence Seizures0low10
Atonic Seizure0low10
Atonic Seizures0low10
Atresia, Biliary0low40
Atrial Fibrillation0low10
Atrophy0low30
Attention Deficit and Disruptive Behavior Disorders0low10
Attention Deficit and Disruptive Behavioral Disorders0low10
Attention Deficit Disorder0low10
Attention Deficit Disorder with Hyperactivity0low10
Attention Deficit Disorders with Hyperactivity0low10
Attention Deficit Hyperactivity Disorder0low10
Attention Deficit Hyperactivity Disorders0low10
Attention Deficit-Hyperactivity Disorder0low10
Aura0low30
Auricular Fibrillation0low10
Autism Spectrum Disorder0low10
Autism Spectrum Disorders0low10
Autistic Spectrum Disorder0low10
Autoimmune Chronic Hepatitis0low40
Autoimmune Diabetes0low40
Autoimmune Disease0low80
Autoimmune Diseases0low80
Autoimmune Diseases of the Nervous System0low10
Autoimmune Diseases, Nervous System0low10
Autoimmune Diseases, Neurologic0low10
Autoimmune Disorders of the Nervous System0low10
Autoimmune Disorders, Nervous System0low10
Autoimmune Encephalomyelitis, Experimental0low10
Autoimmune Experimental Encephalomyelitis0low10
Autoimmune Hepatitis0low40
Autoimmune Nervous System Diseases0low10
Autonomic Central Nervous System Diseases0low10
Autonomic Diseases0low10
Autonomic Nervous System Diseases0low10
Autonomic Nervous System Disorders0low10
Autonomic Peripheral Nervous System Diseases0low10
Autosomal Dominant Hereditary Spastic Paraplegia0low20
Autosomal Dominant Spastic Paraplegia Hereditary0low20
Autosomal Recessive Hereditary Spastic Paraplegia0low20
Autosomal Recessive Spastic Paraplegia, Hereditary0low20
Autosome Abnormalities0low20
Avitaminosis0low20
Awakening Epilepsy0low30
Bacterial Overgrowth Syndrome0low20
Barrett Epithelium0low50
Barrett Esophagus0low50
Barrett Metaplasia0low50
Barrett Syndrome0low50
Barrett's Esophagus0low50
Barrett's Syndrome0low50
Behavior Disorders0low10
Benign Mastocytoma0low10
Benign Neoplasms0low60
Benign Neoplasms, Brain0low10
Benign Paroxysmal Peritonitis0low10
Bile Duct Cancer0low80
Bile Duct Diseases0low100
Bile Duct Neoplasms0low80
Bile Duct Obstruction0medium1436
Bile Duct Obstruction, Extrahepatic0medium91
Bile Duct Obstruction, Intrahepatic0low300
Bile Reflux0medium31
Biliary Atresia0low40
Biliary Atresia, Extrahepatic0low40
Biliary Atresia, Intrahepatic0low40
Biliary Calculi0medium6510
Biliary Calculi, Common Bile Duct0medium6510
Biliary Cirrhosis0medium10413
Biliary Cirrhosis, Primary0medium10413
Biliary Cirrhosis, Primary, 10medium10413
Biliary Cirrhosis, Secondary0medium10413
Biliary Dyskinesia0low40
Biliary Fistula0low170
Biliary or Urinary Stones0low20
Biliary Stasis0medium1436
Biliary Stasis, Extrahepatic0medium91
Biliary Stasis, Intrahepatic0low300
Biliary Tract Diseases0medium264
Bilirubinemia0low70
Birth Weight0low20
Bleb0low10
Bleeding0low10
Blind Loop Syndrome0low20
Blister0low10
Blood Clot0low20
Blood Coagulation Disorders0low10
Blood Poisoning0low10
Blood Pressure, High0low50
Blood Protein Disorders0low10
Bloodstream Infection0low10
Body Weight0medium544
Bone Cysts0low10
Bone Diseases, Metabolic0low10
Bone Loss, Age-Related0low30
Bowel Diseases, Inflammatory0low30
Brain Cancer0low10
Brain Diseases0low190
Brain Diseases, Metabolic0low120
Brain Diseases, Metabolic, Acquired0low120
Brain Disorders0low190
Brain Disorders, Metabolic0low120
Brain Disorders, Metabolic, Acquired0low120
Brain Dysfunction, Minimal0low10
Brain Edema0low10
Brain Embolism and Thrombosis0low10
Brain Metastases0low10
Brain Neoplasm, Primary0low10
Brain Neoplasms0low10
Brain Neoplasms, Benign0low10
Brain Neoplasms, Malignant0low10
Brain Neoplasms, Malignant, Primary0low10
Brain Neoplasms, Primary Malignant0low10
Brain Swelling0low10
Brain Syndrome, Metabolic0low120
Brain Syndrome, Metabolic, Acquired0low120
Brain Tumor, Primary0low10
Brain Tumor, Recurrent0low10
Brain Tumors0low10
Breast Cancer0low80
Breast Carcinoma0low80
Breast Dysplasia0low10
Breast Neoplasms0low80
Breast Tumors0low80
Bronchial Asthma0low30
Bronchitis0low10
Bulbocavernosus Reflex, Decreased0low10
Bulbocavernousus Reflex Absent0low10
Bulla0low10
Bullae0low10
Bullous Lesion0low10
Calcification, Pathologic0medium101
Calcinosis0medium101
Calcinosis, Tumoral0medium101
Calculi0low20
Cancer0low60
Cancer of Bile Duct0low80
Cancer of Brain0low10
Cancer of Breast0low80
Cancer of Cecum0low10
Cancer of Cervix0low10
Cancer of Colon0low430
Cancer of Duodenum0low30
Cancer of Endometrium0medium21
Cancer of Esophagus0low80
Cancer of Gallbladder0low80
Cancer of Gastrointestinal Tract0low20
Cancer of Intestines0low20
Cancer of Larynx0low10
Cancer of Liver0low360
Cancer of Lung0low20
Cancer of Ovary0medium21
Cancer of Pancreas0medium102
Cancer of Pharynx0low10
Cancer of Prostate0low20
Cancer of Rectum0low80
Cancer of Skin0low20
Cancer of Stomach0low60
Cancer of the Bile Duct0low80
Cancer of the Brain0low10
Cancer of the Breast0low80
Cancer of the Cecum0low10
Cancer of the Cervix0low10
Cancer of the Colon0low430
Cancer of the Duodenum0low30
Cancer of the Endometrium0medium21
Cancer of the Esophagus0low80
Cancer of the Gallbladder0low80
Cancer of the Gastrointestinal Tract0low20
Cancer of the Intestines0low20
Cancer of the Larynx0low10
Cancer of the Liver0low360
Cancer of the Lung0low20
Cancer of the Ovary0medium21
Cancer of the Pancreas0medium102
Cancer of the Pharynx0low10
Cancer of the Prostate0low20
Cancer of the Rectum0low80
Cancer of the Skin0low20
Cancer of the Stomach0low60
Cancer of the Thyroid0low10
Cancer of the Uterine Cervix0low10
Cancer of Thyroid0low10
Cancer, Cecal0low10
Cancer, Hepatocellular0low360
Carbohydrate Inducible Hyperlipemia0medium81
Carbohydrate-Inducible Hyperlipemia0medium81
Carbon Tetrachloride Poisoning0low20
Carcinogenesis0low20
Carcinoma0low70
Carcinoma in Situ0low10
Carcinoma of Endometrium0medium21
Carcinoma, Anaplastic0low70
Carcinoma, Cribriform0medium161
Carcinoma, Ductal, Pancreatic0low20
Carcinoma, Epidermoid0low20
Carcinoma, Granular Cell0medium161
Carcinoma, Hepatocellular0low300
Carcinoma, Intraepithelial0low10
Carcinoma, Pancreatic Ductal0low20
Carcinoma, Planocellular0low20
Carcinoma, Preinvasive0low10
Carcinoma, Spindle-Cell0low70
Carcinoma, Squamous0low20
Carcinoma, Squamous Cell0low20
Carcinoma, Tubular0medium161
Carcinoma, Undifferentiated0low70
Carcinomatosis0low70
Cardiac Arrest0low10
Cardiac Diseases0low30
Cardiac Disorders0low30
Cardiac Failure0low10
Cardiac Hypertrophy0low10
Cardiac Remodeling, Ventricular0low10
Cardiomegaly0low10
Cardiometabolic Syndrome0low100
Cardiopulmonary Arrest0low10
Cardiovascular Diseases0low30
Cardiovertebral Syndrome0low20
Carotid Artery Diseases0low10
Carotid Artery Disorders0low10
Carotid Atherosclerosis0low10
Carotid Atherosclerotic Disease0low10
Cataract0low150
Cataract, Membranous0low150
CCl4 Poisoning0low20
Cecal Cancer0low10
Cecal Neoplasms0low10
Celiac Disease0low60
Celiac Sprue0low60
Cell Transformation, Neoplastic0low30
Central Autonomic Nervous System Diseases0low10
Central Hypothyroidism0low30
Central Nervous System Disease0low10
Central Nervous System Diseases0low10
Central Nervous System Disorder0low10
Central Nervous System Disorders0low10
Central Nervous System Disorders, Intracranial0low190
Central Nervous System Intracranial Disorders0low190
Central Nervous System Metabolic Disorders0low120
Central Obesity0low10
Centrala nervsystemets sjukdomar@sv0low10
Cerebellar Ataxia0low30
Cerebellar Dysmetria0low30
Cerebellar Gait0low10
Cerebellar Gait Ataxia0low10
Cerebellar Hemiataxia0low30
Cerebellar Incoordination0low30
Cerebral Cholesterinosis0medium1005
Cerebral Edema0low10
Cerebral Edema, Cytotoxic0low10
Cerebral Edema, Vasogenic0low10
Cerebral Embolism and Thrombosis0low10
Cerebral Stroke0low10
Cerebro-Hepato-Renal Syndrome0low40
Cerebrohepatorenal Syndrome0low40
Cerebrotendinous Xanthomatosis0medium1005
Cerebrovascular Accident0low10
Cerebrovascular Accident, Acute0low10
Cerebrovascular Apoplexy0low10
Cerebrovascular Stroke0low10
Cervical Cancer0low10
Cervical Migraine Syndrome0medium73
Cervical Neoplasms0low10
Cervix Cancer0low10
Cervix Neoplasms0low10
Charcot-Marie-Tooth Disease with Pyramidal Features, Autosomal Dominant0low20
Chemical and Drug Induced Liver Injury0medium553
Chemical and Drug Induced Liver Injury, Chronic0low10
Chemical-Induced Liver Injury, Chronic0low10
Chemically-Induced Liver Injury, Chronic0low10
Chemically-Induced Liver Toxicity0medium553
Cholangiitis, Sclerosing0medium164
Cholangiocarcinoma0low50
Cholangiocellular Carcinoma0low50
Cholangioma0medium21
Cholangitis0medium432
Cholangitis, Chronic Nonsuppurative Destructive0medium10413
Cholangitis, Primary Sclerosing0medium164
Cholangitis, Sclerosing0medium164
Cholecystitis0low180
Cholelithiasis0medium806112
Cholera Infantum0low60
Cholestasis0medium1436
Cholestasis with Peripheral Pulmonary Stenosis0low20
Cholestasis, Extrahepatic0medium91
Cholestasis, Intrahepatic0low300
Cholesterol Embolism0low10
Choline Deficiency0low20
Choroby OUN@pl0low10
Chromosomal Aberrations0low20
Chromosome Aberrations0low20
Chromosome Abnormalities0low20
Chronic Bacterial Prostatitis0low10
Chronic Cystic Mastitis0low10
Chronic Delta Hepatitis0low10
Chronic Disease0medium302
Chronic Drug-Induced Liver Injury0low10
Chronic Esophagitis, Eosinophilic0low10
Chronic Hepatitis0low20
Chronic Hepatitis B0low20
Chronic Hepatitis B Virus Infection0low20
Chronic Hepatitis C0low20
Chronic Hepatitis D0low10
Chronic Illness0medium302
Chronic Inflammatory Demyelinating Polyradiculoneuropathy0low10
Chronic Inflammatory Polyradiculoneuropathy0low10
Chronic Kidney Failure0low20
Chronic Liver Failure0low110
Chronic Lung Injury0low10
Chronic Pain0low10
Chronic Prostatitis with Chronic Pelvic Pain Syndrome0low10
Chronically Ill0medium302
CIDP0low10
Ciliophora Infections0low10
Cirrhoses, Experimental Liver0low70
Cirrhosis0medium191
Cirrhosis, Experimental Liver0low70
Cirrhosis, Liver0medium968
Clasp-Knife Spasticity0low30
Classic Globoid Cell Leukodystrophy0low10
Clonic Seizure0low10
Clonic Seizures0low10
Clostridioides difficile Infection0low20
Clostridioides Infections0low20
Clostridioides perfringens Food Poisoning0low20
Clostridioides perfringens Infections0low20
Clostridioides sordellii Infection0low20
Clostridium difficile Infection0low20
Clostridium difficile Infections0low20
Clostridium Infections0low20
Clostridium perfringens Food Poisoning0low20
Clostridium perfringens Infections0low20
Clostridium sordellii Infection0low20
Clostridium sordellii Infections0low20
CMT with Pyramidal Features0low20
CNS Disease0low10
CNS Diseases0low10
CNS Disorders, Intracranial0low190
CNS Metabolic Disorders0low120
CNS Metabolic Disorders, Acquired0low120
Co-infection0low10
Coagulation Disorders, Blood0low10
Coagulation, Disseminated Intravascular0low10
Cocarcinogenesis0low20
Cognition Disorders0low20
Cognitive Decline0low10
Cognitive Dysfunction0low10
Cognitive Impairments0low10
Coinfection0low10
Colic0medium41
Colicky Pain0medium11
Colitis0low20
Colitis Gravis0medium103
Colitis, Collagenous0low10
Colitis, Granulomatous0low120
Colitis, Mucous0medium51
Colitis, Ulcerative0medium103
Collagen Arthritis0low10
Collagenous Colitis0low10
Colon Cancer0low430
Colon Cancer, Familial Nonpolyposis0low10
Colon Neoplasms0low430
Colon, Irritable0medium51
Colonic Cancer0low430
Colonic Diseases0low30
Colonic Diseases, Functional0low20
Colonic Inertia0medium102
Colonic Neoplasms0low430
Colonic Polyps0low30
Colorectal Cancer0medium141
Colorectal Cancer Hereditary Nonpolyposis0low10
Colorectal Carcinoma0medium141
Colorectal Neoplasms0medium141
Colorectal Neoplasms, Hereditary Nonpolyposis0low10
Colorectal Tumors0medium141
Combined Partial Deficiency of 17-Hydroxylase and 21-Hydroxylase0low10
Common Bile Duct Calculi0medium6510
Common Bile Duct Gall Stone0medium6510
Common Bile Duct Gall Stones0medium6510
Common Bile Duct Gallstone0medium6510
Common Bile Duct Gallstones0medium6510
Common Bile Duct Neoplasms0low10
Common Carotid Artery Diseases0low10
Compensatory Hyperinsulinemia0low20
Complex Partial Seizure0low10
Complex Partial Seizures0low10
Complication, Intraoperative0low10
Complication, Peroperative0low10
Complication, Postoperative0medium121
Complications of Diabetes Mellitus0low20
Complications, Pregnancy0medium301
Condition, Preneoplastic0low30
Conditions, Preneoplastic0low30
Congenital Adrenal Hyperplasia Due To Apparent Combined P450c17 and P450c21 Deficiency0low10
Congenital Errors of Steroid Metabolism0low30
Congenital Myotonic Dystrophy0low10
Congenital Nephrogenic Diabetes Insipidus0low10
Congestive Heart Failure0low10
Constipation0medium102
Constitutional Liver Dysfunction0medium31
Constriction, Pathologic0low10
Constriction, Pathological0low10
Consumption Coagulopathy0low10
Convulsion0low10
Convulsion, Non-Epileptic0low10
Convulsions0low10
Convulsive Seizure0low10
Convulsive Seizures0low10
Coordination Impairment0low40
Corneal Opacity0low10
Coronary Arteriosclerosis0low10
Coronary Artery Disease0low10
Coronary Atherosclerosis0low10
Coronary Disease0low40
Coronary Heart Disease0low40
Cough0low20
Crigler Najjar Syndrome0low10
Crigler Najjar Syndrome, Type 10low10
Crigler-Najar Syndrome0low10
Crigler-Najjar Syndrome0low10
Crigler-Najjar Syndrome, Type I0low10
Crohn Disease0low120
Crohn's Disease0low120
Crohn's Enteritis0low120
Cronobacter Infections0low20
Cruveilhier-Baumgarten Syndrome0low80
Cryptogenic Chronic Hepatitis0low20
Curling Ulcer0low10
Curling's Ulcer0low10
CVA (Cerebrovascular Accident)0low10
Cyst0low40
Cystadenocarcinoma0medium11
Cystic Breast Disease0low10
Cystic Disease of Breast0low10
Cystic Echinococcosis0low10
Cystic Fibrosis0medium61
Cystic Fibrosis of Pancreas0medium61
Cystic Kidney Diseases0low10
Cystic Renal Diseases0low10
Cysts0low40
Cysts, Hydatid0low10
Cytochrome P450 Oxidoreductase Deficiency0low10
Cytogenetic Aberrations0low20
Cytogenetic Abnormalities0low20
Cytomegalovirus0low10
Cytotoxic Brain Edema0low10
Cytotoxic Cerebral Edema0low10
Deficiency Diseases0low10
Deficiency Syndrome, Immunologic0low10
Deficiency Syndromes, Antibody0low10
Deficiency Syndromes, Immunologic0low10
Deficiency, Ascorbic Acid0low10
Deficiency, Choline0low20
Deficiency, Mental0low60
Deficiency, Protein0low20
Deficiency, Pyridoxine0low10
Deficiency, Vitamin0low20
Deficiency, Vitamin A0low10
Deficiency, Vitamin B 60low10
Deficiency, Vitamin B60low10
Deficiency, Vitamin C0low10
Deficiency, Vitamin K0low10
Degenerative Diseases, Central Nervous System0low30
Degenerative Diseases, Nervous System0low30
Degenerative Diseases, Neurologic0low30
Degenerative Diseases, Spinal Cord0low30
Degenerative Neurologic Diseases0low30
Degenerative Neurologic Disorders0low30
Deglutition Disorders0low10
Dehydration0low10
Delayed Effects, Prenatal Exposure0low10
Delta Hepatitis, Chronic0low10
Dementia0low20
Dementia Praecox0low10
Dementia, Alzheimer Type0low10
Dementia, Presenile0low10
Dementia, Primary Senile Degenerative0low10
Dementia, Senile0low10
Depression, Involutional0low10
Depressive Disorder, Major0low10
Dermatitis Medicamentosa0low10
Dermatitis, Adverse Drug Reaction0low10
Dermatitis, Atopic0low10
Dermatitis, Irritant0medium11
Dermatitis, Primary Irritant0medium11
Developmental Academic Disability0low10
Developmental Academic Disorder0low10
Developmental Disabilities of Scholastic Skills0low10
Developmental Disorders of Scholastic Skills0low10
Diabetes Complications0low20
Diabetes Insipidus Renalis0low10
Diabetes Insipidus, Nephrogenic0low10
Diabetes Insipidus, Nephrogenic, Autosomal0low10
Diabetes Insipidus, Nephrogenic, Type 10low10
Diabetes Insipidus, Nephrogenic, Type I0low10
Diabetes Insipidus, Nephrogenic, Type II0low10
Diabetes Insipidus, Nephrogenic, X-Linked0low10
Diabetes Mellitus0medium51
Diabetes Mellitus, Adult-Onset0medium183
Diabetes Mellitus, Brittle0low40
Diabetes Mellitus, Experimental0low140
Diabetes Mellitus, Gestational0low10
Diabetes Mellitus, Insulin-Dependent0low40
Diabetes Mellitus, Insulin-Dependent, 10low40
Diabetes Mellitus, Juvenile-Onset0low40
Diabetes Mellitus, Ketosis-Prone0low40
Diabetes Mellitus, Ketosis-Resistant0medium183
Diabetes Mellitus, Maturity-Onset0medium183
Diabetes Mellitus, Non Insulin Dependent0medium183
Diabetes Mellitus, Non-Insulin-Dependent0medium183
Diabetes Mellitus, Noninsulin Dependent0medium183
Diabetes Mellitus, Noninsulin-Dependent0medium183
Diabetes Mellitus, Slow-Onset0medium183
Diabetes Mellitus, Stable0medium183
Diabetes Mellitus, Sudden-Onset0low40
Diabetes Mellitus, Type 10low40
Diabetes Mellitus, Type 20medium183
Diabetes Mellitus, Type I0low40
Diabetes Mellitus, Type II0medium183
Diabetes-Related Complications0low20
Diabetes, Autoimmune0low40
Diabetes, Gestational0low10
Diabetes, Pregnancy-Induced0low10
Diabetic Cardiomyopathies0low10
Diabetic Complications0low20
Diabetic Glomerulosclerosis0low10
Diabetic Kidney Disease0low10
Diabetic Nephropathies0low10
Diabetic Nephropathy0low10
Diabetic Retinopathy0low10
Diagnosis, Psychiatric0low10
Diarrhea0medium7313
Diarrhea, Infantile0low20
Diathesis0low20
Diffuse Globoid Body Sclerosis0low10
Dilatation, Pathologic0medium61
Dilatation, Pathological0medium61
Dilatations, Pathologic0medium61
Dilatations, Pathological0medium61
Direct Hyperbilirubinemia, Neonatal0low10
Disability, Intellectual0low60
Disbacteriosis0low40
Disbiosis0low40
Disease0low10
Disease Exacerbation0low450
Disease Models, Animal0low810
Disease Progression0low450
Disease Susceptibility0low20
Disease, Pulmonary0low10
Diseases, Metabolic0low50
Diseases, Occupational0low10
Diseases, Pulmonary0low10
Disordered Steroidogenesis Due To Cytochrome P450 Oxidoreductase Deficiency0low10
Disorders of Sex Development0low10
Disorders of Sexual Development0low10
Disorders of the Autonomic Nervous System0low10
Disorders, Blood Coagulation0low10
Disruptive Behavior Disorder0low10
Disruptive Behavioral Disorder0low10
Disseminated Coagulation, Intravascular0low10
Disseminated Intravascular Coagulation0low10
Diverticula0low10
Diverticulosis0low10
Diverticulum0low10
Doenu00E7as do Sistema Nervoso Central@pt0low10
Dropsy0low20
Drug Allergy0low20
Drug Eruptions0low10
Drug Hypersensitivity0low20
Drug Side Effects0low30
Drug Toxicity0low30
Drug-Induced Abnormalities0low10
Drug-Induced Acute Liver Injury0medium553
Drug-Induced Liver Disease0medium553
Drug-Induced Liver Injury0medium553
Drug-Induced Liver Injury, Chronic0low10
Drug-Related Side Effects and Adverse Reactions0low30
Duct-Cell Carcinoma of the Pancreas0low20
Duct-Cell Carcinoma, Pancreas0low20
Ductal Carcinoma of the Pancreas0low20
Duodenal Cancer0low30
Duodenal Neoplasms0low30
Duodenal Reflux0low20
Duodenal Ulcer0low10
Duodeno-Gastric Reflux0low20
Duodenogastric Reflux0low20
Dys-symbiosis0low40
Dysarthosis0low10
Dysarthria0low10
Dysarthria, Flaccid0low10
Dysarthria, Guttural0low10
Dysarthria, Mixed0low10
Dysarthria, Scanning0low10
Dysarthria, Spastic0low10
Dysbacteriosis0low40
Dysbiosis0low40
Dyschezia0medium102
Dyscoordination0low40
Dysentery, Bacillary0low10
Dysentery, Shiga bacillus0low10
Dysentery, Shigella boydii0low10
Dysentery, Shigella dysenteriae0low10
Dysentery, Shigella dysenteriae type 10low10
Dysentery, Shigella flexneri0low10
Dysentery, Shigella sonnei0low10
Dyskinesia Syndromes0low20
Dyslipidemia0low70
Dyslipidemias0low70
Dyslipoproteinemias0low70
Dysmetabolic Syndrome X0low100
Dysmetria0low30
Dyspepsia0low30
Dysphagia0low10
Dysplasia, Arteriohepatic0low20
Dyssynergia0low40
Dystonia0low20
Dystonia, Diurnal0low20
Dystonia, Limb0low20
Dystonia, Paroxysmal0low20
Dystrophia Myotonica0low10
Dystrophia Myotonica 10low10
Dystrophia Myotonica 20low10
E coli Infections0low10
E. coli Infection0low10
Early Onset Alzheimer Disease0low10
Early-Onset Globoid Cell Leukodystrophy0low10
Echinococcosis0low10
Echinococcus Granulosus Infection0low10
Echinococcus Infection0low10
Ectasia0medium61
Eczema, Atopic0low10
Eczema, Infantile0low10
Edema0low20
Edema-Proteinuria-Hypertension Gestosis0low10
Electrolytes0low70
Electron Transport Chain Deficiencies, Mitochondrial0low10
Elevated Cholesterol0medium191
Embolism and Thrombosis, Brain0low10
Embolism, Cholesterol0low10
Embolism, Pulmonary0low10
Embolisms, Pulmonary0low10
Emergencies0low20
Emesis0low10
Empyema, Gall Bladder0low180
Empyema, Gallbladder0low180
Encephalitis, JC Polyomavirus0low10
Encephalitis, Polio0low10
Encephalitis, Viral0low10
Encephalomyelitis, Allergic0low10
Encephalomyelitis, Autoimmune, Experimental0low10
Encephalomyelitis, Experimental Autoimmune0low10
Encephalomyelitis, Infectious, Viral0low10
Encephalon Diseases0low190
Encephalopathies, Metabolic0low120
Encephalopathy0low190
Encephalopathy, Hepatic0low90
Encephalopathy, Hepatocerebral0low90
Encephalopathy, Metabolic, Acquired0low120
Encephalopathy, Portal-Systemic0low90
Encephalopathy, Portosystemic0low90
End Stage Liver Disease0low110
End-Stage Kidney Disease0low20
End-Stage Renal Disease0low20
Endogenous Hyperinsulinism0low20
Endometrial Cancer0medium21
Endometrial Carcinoma0medium21
Endometrial Neoplasms0medium21
Endometrioma0low20
Endometriosis0low20
Endometrium Cancer0medium21
Endotoxemia0low10
Enfermedades del Sistema Nervioso Central@es0low10
Enlarged Heart0low10
Enlarged Liver0low30
Enlarged Spleen0low20
Enteritis, Granulomatous0low120
Enteritis, Regional0low120
Enterobacteriaceae Infections0low20
Enterobacterial Infections0low20
Eosinophilic Esophagitis0low10
EPH Complex0low10
EPH Gestosis0low10
EPH Toxemias0low10
Epidemic Acute Poliomyelitis0low10
Epilepsy0low30
Epilepsy, Cryptogenic0low30
Epileptic Seizure0low10
Epileptic Seizures0low10
Epithelial Neoplasms, Malignant0low70
Epithelial Tumors, Malignant0low70
Epithelioma0low70
Erectile Dysfunction0low10
Erythema0medium11
Erythroblastosis Fetalis0low10
Erythroblastosis, Fetal0low10
Erythrohepatic Protoporphyria0low10
Erythropoietic Protoporphyria0low10
Escherichia coli Infections0low10
Esophageal and Gastric Varices0low20
Esophageal Cancer0low80
Esophageal Dysphagia0low10
Esophageal Neoplasms0low80
Esophageal Reflux0low80
Esophageal Varices0low20
Esophageal Varix0low20
Esophagitis0low10
Esophagitis, Eosinophilic0low10
Esophagitis, Peptic0low10
Esophagitis, Reflux0low10
Esophagus Cancer0low80
Esophagus Neoplasm0low80
Esophagus, Barrett0low50
ESRD0low20
Etat Marbre0low20
Ethanol Abuse0low60
Exocrine Pancreatic Insufficiency0low10
Exogenous Hyperinsulinism0low20
Experimental Allergic Encephalomyelitis0low10
Experimental Autoimmune Encephalomyelitis0low10
Experimental Diabetes Mellitus0low140
Experimental Hepatoma0low80
Experimental Hepatomas0low80
Experimental Liver Cirrhoses0low70
Experimental Liver Cirrhosis0low70
Experimental Liver Neoplasms0low80
Experimental Neoplasms0low60
External Carotid Artery Diseases0low10
Extracutaneous Mastocytoma0low10
Extrahepatic Biliary Atresia0low40
Extrahepatic Cholangiocarcinoma0low50
Extrahepatic Cholestasis0medium91
Extravascular Hemolysis0low30
Failure to Thrive0low10
Familial Adenomatous Polyposis0low30
Familial Adenomatous Polyposis Coli0low30
Familial Adenomatous Polyposis of the Colon0low30
Familial Alzheimer Disease (FAD)0low10
Familial Atrial Fibrillation0low10
Familial Combined Hyperlipidemia0low30
Familial Combined Hyperlipoproteinemia0medium52
Familial Dementia0low20
Familial Extrahepatic Biliary Atresia0low40
Familial Hyperlipoproteinemia Type 40medium81
Familial Intestinal Polyposis0low30
Familial Mediterranean Fever0low10
Familial Mediterranean Fever, Autosomal Recessive0low10
Familial Multiple Polyposi0low30
Familial Multiple Polyposis0low30
Familial Multiple Polyposis Syndrome0low30
Familial Nonhemolytic Jaundice0medium31
Familial Nonhemolytic Unconjugated Hyperbilirubinemia0low10
Familial Nonpolyposis Colon Cancer0low10
Familial Paroxysmal Polyserositis0low10
Familial Polyposis Coli0low30
Familial Polyposis of the Colon0low30
Familial Polyposis Syndrome0low30
Familial Spastic Paraparesis, Htlv-1-Associated0low10
Familial Type IV Hyperlipoproteinemia0medium81
Fanconi Anemia0low10
Fanconi Hypoplastic Anemia0low10
Fanconi Pancytopenia0low10
Fanconi Panmyelopathy0low10
Fanconi's Anemia0low10
Fasting Hypoglycemia0low20
Fatigue0medium31
Fatty Liver0medium161
Fatty Liver, Alcoholic0low30
Fatty Liver, Nonalcoholic0medium11412
Ferrochelatase Deficiency0low10
Fetal Death0low20
Fetal Demise0low20
Fetal Distress0low20
Fetal Growth Restriction0low20
Fetal Growth Retardation0low20
Fetal Mummification0low20
Fibrocystic Breast Disease0low10
Fibrocystic Changes of Breast0low10
Fibrocystic Disease of Breast0low10
Fibrocystic Disease of Pancreas0medium61
Fibrocystic Mastopathy0low10
Fibroses, Pulmonary0low40
Fibrosis0medium191
Fibrosis, Inflammatory Perianeurysmal0low10
Fibrosis, Liver0medium968
Fibrosis, Perianeurysmal Inflammatory0low10
Fibrosis, Pulmonary0low40
Fish Diseases0low10
Fistula0low20
Flank Pain0low10
Focal Onset Alzheimer's Disease0low10
Food Poisoning0low10
Food-borne Disease0low10
Food-borne Diseases0low10
Food-borne Illness0low10
Food-borne Illnesses0low10
Foodborne Disease0low10
Foodborne Diseases0low10
Foodborne Illness0low10
Foodborne Illnesses0low10
Fracture, Pathologic0low10
Fracture, Pathological0low10
Fractures, Pathologic0low10
Fractures, Pathological0low10
Fractures, Spontaneous0low10
Fulminant Hepatic Failure0low10
Fulminant Hepatic Failure with Cerebral Edema0low90
Fulminating Hepatic Failure0low10
Fulminating Liver Failure0low10
Functional Colonic Diseases0low20
Functional Gastrointestinal Disorders0low60
Gait Ataxia0low10
Gait Ataxia, Sensory0low10
Galactocerebrosidase Deficiency0low10
Galactosylceramidase Deficiency Disease0low10
Galactosylceramide beta-Galactosidase Deficiency0low10
Galactosylceramide Lipidosis0low10
Galactosylceramide-beta-Galactosidase Deficiency Disease0low10
Galactosylcerebrosidase Deficiency0low10
Galactosylsphingosine Lipidosis0low10
GALC Deficiency0low10
Gall Bladder Cancer0low80
Gall Bladder Diseases0medium41
Gall Stone0medium6510
Gall Stones0medium6510
Gall Stones, Common Bile Duct0medium6510
Gallbladder Cancer0low80
Gallbladder Diseases0medium41
Gallbladder Dyskinesia0low40
Gallbladder Inflammation0low180
Gallbladder Neoplasms0low80
Gallstone0medium6510
Gallstone Disease0medium806112
Gallstones0medium6510
Gallstones, Common Bile Duct0medium6510
Ganglia, Intra-Osseous0low10
Ganglia, Intraosseous0low10
Ganglion, Intra-Osseous0low10
Ganglioside Storage Diseases0low10
Ganglioside Storage Disorders0low10
Gangliosidoses0low10
Gangliosidosis0low10
Gastric Acid Reflux0low80
Gastric Acid Reflux Disease0low80
Gastric Cancer0low60
Gastric Cancer, Familial Diffuse0low60
Gastric Neoplasms0low60
Gastric Ulcer0low60
Gastric Varices0low20
Gastric Varix0low20
Gastritis0low40
Gastritis, Atrophic0low10
Gastro-Esophageal Reflux0low80
Gastro-Esophageal Reflux Disease0low80
Gastro-oesophageal Reflux0low80
Gastroduodenal Ulcer0low30
Gastroesophageal Reflux0low80
Gastroesophageal Reflux Disease0low80
Gastrointestinal Cancer0low20
Gastrointestinal Diseases0low60
Gastrointestinal Disorders0low60
Gastrointestinal Disorders, Functional0low60
Gastrointestinal Hemorrhage0medium21
Gastrointestinal Neoplasms0low20
Gastrointestinal Tuberculosis0low10
Generalized Absence Seizure0low10
Generalized Absence Seizures0low10
Generalized Tonic-Clonic Seizures0low10
Genetic Predisposition0low20
Genetic Predisposition to Disease0low20
Genetic Susceptibility0low20
Genital Ambiguity0low10
GERD0low80
Gestational Diabetes0low10
Gestosis, EPH0low10
Giant Cell Glioblastoma0low30
Gilbert Disease0medium31
Gilbert Syndrome0medium31
Gilbert-Lereboullet Syndrome0medium31
Gilbert's Disease0medium31
Gilbert's Syndrome0medium31
Glioblastoma0low30
Glioblastoma Multiforme0low30
Globoid Body Sclerosis, Diffuse0low10
Globoid Cell Leukodystrophy0low10
Globoid Cell Leukoencephalopathy0low10
Globoid Leukodystrophy0low10
Glomerulonephritis, Lupus0low10
Glomerulosclerosis, Diabetic0low10
Glucose Intolerance0low20
Gluten Enteropathy0low60
Gluten-Sensitive Enteropathy0low60
Glycosuria0low10
Gout0low10
Growth Disorders0low20
Growth Retardation, Intrauterine0low20
Haemolysis0low30
Haemolytic Anaemia0low50
HbS Disease0low10
Headache, Migraine0medium73
Heart Arrest0low10
Heart Decompensation0low10
Heart Diseases0low30
Heart Disorders0low30
Heart Enlargement0low10
Heart Failure0low10
Heart Failure, Congestive0low10
Heart Failure, Left-Sided0low10
Heart Failure, Right-Sided0low10
Heart Hypertrophy0low10
Heartburn0low20
Hematochezia0medium21
Hematoma, Subdural0low10
Hematuria0low10
Heme Synthetase Deficiency0low10
Hemicrania Migraine0medium73
Hemoglobin S Disease0low10
Hemolysis0low30
Hemolytic Anemia0low50
Hemolytic Anemia, Acquired0low50
Hemolytic Disease of Newborn0low10
Hemorrhage0low10
Hemorrhage, Gastrointestinal0medium21
Hemorrhage, Subdural0low10
Hemorrhagic Diathesis0low10
Hemorrhagic Disorders0low10
Hemorrhagic Necrotic Pancreatitis0low10
Hepatic Cancer0low360
Hepatic Cirrhosis0medium968
Hepatic Cirrhosis, Alcoholic0low110
Hepatic Cirrhosis, Experimental0low70
Hepatic Coma0low90
Hepatic Ductular Hypoplasia0low20
Hepatic Ductular Hypoplasia, Syndromatic0low20
Hepatic Encephalopathy0low90
Hepatic Failure0low40
Hepatic Failure, Acute0low10
Hepatic Failure, Fulminant0low10
Hepatic Neoplasms0low360
Hepatic Stupor0low90
Hepatitis0low240
Hepatitis A0low20
Hepatitis B Virus Infection, Chronic0low20
Hepatitis B, Chronic0low20
Hepatitis C0low50
Hepatitis C, Chronic0low20
Hepatitis D, Chronic0low10
Hepatitis, Autoimmune0low40
Hepatitis, Chronic0low20
Hepatitis, Chronic Active0low20
Hepatitis, Chronic Persistent0low20
Hepatitis, Chronic, Cryptogenic0low20
Hepatitis, Chronic, Drug-Induced0low10
Hepatitis, Chronic, Drug-Related0low10
Hepatitis, Drug-Induced0medium553
Hepatitis, Infectious0low20
Hepatitis, Toxic0medium553
Hepatitis, Viral, Human0medium81
Hepatitis, Viral, Non-A, Non-B, Parenterally-Transmitted0low50
Hepato-Pulmonary Syndrome0low10
Hepatoblastoma0low20
Hepatocellular Cancer0low360
Hepatocellular Carcinoma0low300
Hepatocerebral Encephalopathy0low90
Hepatoerythropoietic Porphyria0low10
Hepatofacioneurocardiovertebral Syndrome0low20
Hepatoma0low300
Hepatoma, Experimental0low80
Hepatoma, Morris0low80
Hepatoma, Novikoff0low80
Hepatomas, Experimental0low80
Hepatomegaly0low30
Hepatopulmonary Syndrome0low10
Hepatorenal Syndrome0low10
Hereditary Autosomal Dominant Spastic Paraplegia0low20
Hereditary Autosomal Recessive Spastic Paraplegia0low20
Hereditary Motor and Sensory Neuropathy 50low20
Hereditary Motor And Sensory Neuropathy V0low20
Hereditary Motor-Sensory Neuropathy with Pyramidal Signs0low20
Hereditary Nonpolyposis Colon Cancer0low10
Hereditary Nonpolyposis Colorectal Cancer0low10
Hereditary Nonpolyposis Colorectal Neoplasms0low10
Hereditary Polyposis Coli0low30
Hereditary Spastic Paraplegia0low20
Hereditary Spastic Paraplegia, Autosomal Recessive0low20
Hereditary Unconjugated Hyperbilirubinemia0low10
Hereditary X-Linked Recessive Spastic Paraplegia0low20
Hereditary, Spastic Paraplegia, Autosomal Dominant0low20
Hereditary, Spastic Paraplegia, X-Linked Recessive0low20
Hermaphroditism0low10
High Cholesterol Levels0medium191
HIV Coinfection0low20
HIV Infections0low20
HMSN 50low20
HMSN Type V0low20
HMSN V0low20
HMSN V (Hereditary Motor and Sensory Neuropathy Type V)0low20
Hoffman's Reflex0low10
Hospital-Acquired Condition0low10
HTLV I Associated Myelopathies0low10
HTLV-I-Associated Myelopathy0low10
HTLV-I-Associated Myelopathy-Tropical Spastic Paraparesis0low10
HTLV-III Infections0low20
HTLV-III-LAV Infections0low20
Human Mammary Carcinoma0low80
Human T-Lymphotropic Virus Type 1 Associated Myelopathy0low10
Hydatid Cyst0low10
Hydatid Disease0low10
Hydatidosis0low10
Hydrops0low20
Hyper prebeta lipoproteinemia0medium81
Hyper-beta-Lipoproteinemia0medium52
Hyper-Low Density Lipoproteinemia0medium52
Hyper-Low-Density-Lipoproteinemia0medium52
Hyperbetalipoproteinemia0medium52
Hyperbilirubinemia0low70
Hyperbilirubinemia 10medium31
Hyperbilirubinemia During Infancy0low10
Hyperbilirubinemia I0medium31
Hyperbilirubinemia, Arias Type0medium31
Hyperbilirubinemia, Hereditary0medium41
Hyperbilirubinemia, Neonatal0low10
Hyperbilirubinemia, Rotor Type0medium41
Hypercholesteremia0medium191
Hypercholesterolemia0medium191
Hypercholesterolemia, Autosomal Dominant0medium52
Hypercholesterolemia, Autosomal Dominant, Type B0medium52
Hypercholesterolemia, Essential0medium52
Hypercholesterolemia, Familial0medium52
Hypercholesterolemic Xanthomatosis, Familial0medium52
Hyperglycemia0low10
Hyperglycemia, Postprandial0low10
Hypergonadotropic Hypogonadism0low10
Hyperinsulinemia0low20
Hyperinsulinism0low20
Hyperkinetic Syndrome0low10
Hyperlipemia0medium476
Hyperlipidemia0medium476
Hyperlipidemia, Familial Combined0low30
Hyperlipidemia, Multiple Lipoprotein-Type0low30
Hyperlipidemias0medium476
Hyperlipoproteinemia0low60
Hyperlipoproteinemia Type 20medium52
Hyperlipoproteinemia Type II0medium52
Hyperlipoproteinemia Type IIa0medium52
Hyperlipoproteinemia Type IIb0medium52
Hyperlipoproteinemia Type IV0medium81
Hyperlipoproteinemia, Type II0medium52
Hyperlipoproteinemia, Type IIa0medium52
Hyperlipoproteinemia, Type IV0medium81
Hyperlipoproteinemias0low60
Hypermetria0low30
Hyperprebetalipoproteinemia0medium81
Hyperreflexia0low10
Hypersensitivity, Drug0low20
Hypertension0low50
Hypertension-Edema-Proteinuria Gestosis0low10
Hypertension, Portal0low80
Hypertension, Pulmonary0low20
Hyperthyroid0low40
Hyperthyroidism0low40
Hypertriglyceridemia0medium21
Hypertriglyceridemia, Familial0medium81
Hypertrophic Motor-Sensory Neuropathy-Spastic Paraplegia0low20
Hypertrophy0low10
Hypertrophy, Right Ventricular0low10
Hyperuricemia0low10
Hypocalcemia0low10
Hypoglycemia0low20
Hypogonadism0low10
Hypogonadism, Isolated Hypogonadotropic0low10
Hypogonadotropic Hypogonadism0low10
Hyporeflexia0low10
Hypothyroidism0low30
Iatrogenic Disease0low10
Icterus0low60
Icterus Gravis Neonatorum0low80
IDDM0low40
Idiocy0low60
Idiopathic Diffuse Interstitial Pulmonary Fibrosis0low40
Idiopathic Extrahepatic Biliary Atresia0low40
Idiopathic Proctocolitis0medium103
Idiopathic Retroperitoneal Fibrosis0low10
Idiopathic Tropical Malabsorption Syndrome0low10
Ileal Diseases0low10
Ileitis0low30
Ileitis, Regional0low120
Ileitis, Terminal0low120
Ileocolitis0low120
Immune Diseases, Nervous System0low10
Immune Disorders, Nervous System0low10
Immunologic Deficiency Syndrome0low10
Immunologic Deficiency Syndromes0low10
Immunological Deficiency Syndromes0low10
Impaired Glucose Tolerance0low20
Impotence0low10
Inborn Errors of Metabolism0low100
Inborn Errors of Steroid Metabolism0low30
Incoordination0low40
Indigestion0low30
Indirect Hyperbilirubinemia, Neonatal0low10
Infant Malnutrition0low10
Infant Nutrition Disorders0low10
Infant Overnutrition0low10
Infant, Newborn, Diseases0low20
Infant, Premature, Diseases0low10
Infantile Colic0medium41
Infantile Diarrhea0low20
Infantile Globoid Cell Leukodystrophy0low10
Infantile Malnutrition0low10
Infantile Paralysis0low10
Infections, Ciliophora0low10
Infections, Clostridium0low20
Infections, E coli0low10
Infections, Enterobacteriaceae0low20
Infections, Enterobacterial0low20
Infections, Escherichia coli0low10
Infections, Picornaviridae0low10
Infections, Picornavirus0low10
Infections, Pseudomonas0low10
Infections, Respiratory0low10
Infections, Respiratory Tract0low10
Infections, Salmonella0low10
Infections, Upper Respiratory0low10
Infections, Upper Respiratory Tract0low10
Infectious Encephalomyelitis, Viral0low10
Infectious Hepatitis0low20
Inflammation0medium301
Inflammatory Bowel Disease 10low120
Inflammatory Bowel Disease, Ulcerative Colitis Type0medium103
Inflammatory Bowel Diseases0low30
Inflammatory Fibrosis, Perianeurysmal0low10
Inflammatory Perianeurysmal Fibrosis0low10
Inflammatory Polyradiculopathy, Chronic0low10
Injuries, Surgical0low10
Injury, Ischemia-Reperfusion0low40
Injury, Myocardial Reperfusion0low10
Injury, Reperfusion0low40
Innate Inflammatory Response0medium301
Insulin Resistance0medium182
Insulin Resistance Syndrome X0low100
Insulin Sensitivity0medium182
Insulin-Dependent Diabetes Mellitus 10low40
Intellectual Development Disorder0low60
Intellectual Disability0low60
Internal Carotid Artery Diseases0low10
Intersex Conditions0low10
Intersexuality0low10
Interstitial Cell Tumor0low10
Intestinal Cancer0low20
Intestinal Diseases0low40
Intestinal Neoplasms0low20
Intestinal Obstruction0low30
Intestinal Polyps0medium71
Intestines Cancer0low20
Intestines Neoplasms0low20
Intra-Osseous Ganglia0low10
Intra-Osseous Ganglion0low10
Intracapillary Glomerulosclerosis0low10
Intracranial Central Nervous System Disorders0low190
Intracranial CNS Disorders0low190
Intracranial Edema0low10
Intracranial Embolism and Thrombosis0low10
Intracranial Neoplasms0low10
Intraepithelial Neoplasms0low10
Intrahepatic Biliary Atresia0low40
Intrahepatic Cholangiocarcinoma0low50
Intrahepatic Cholestasis0low300
Intraoperative Complications0low10
Intraosseous Ganglion0low10
Intrauterine Growth Restriction0low20
Intrauterine Growth Retardation0low20
Intravascular Coagulation, Disseminated0low10
Intravascular Disseminated Coagulation0low10
Intravascular Hemolysis0low30
Invasiveness, Neoplasm0low20
Irritant Dermatitis0medium11
Ischemia0low10
Ischemia-Reperfusion Injury0low40
Island Cell Tumor0low10
Islet Cell Tumor0low10
Islet of Langerhans Tumor0low10
Itching0medium326
Jacksonian Seizure0low10
Jaundice0low60
Jaundice, Cholestatic0low10
Jaundice, Hemolytic0low60
Jaundice, Mechanical0low10
Jaundice, Neonatal0low80
Jaundice, Obstructive0low10
JC Polyomavirus Encephalopathy0low10
Juvenile-Onset Diabetes0low40
Kahler Disease0low20
Keskushermoston sairaudet@fi0low10
Kidney Calculi0low10
Kidney Diseases0low30
Kidney Diseases, Cystic0low10
Kidney Failure, Acute0medium41
Kidney Failure, Chronic0low20
Kidney Insufficiency, Acute0medium41
Kidney Stones0low10
Kidney, Cystic0low10
Kimmelstiel-Wilson Disease0low10
Kimmelstiel-Wilson Syndrome0low10
Koch's Disease0low10
Kochs Disease0low10
Krabbe Disease0low10
Krabbe Leukodystrophy0low10
Krabbe's Disease0low10
Krabbe's Leukodystrophy0low10
Lack of Coordination0low40
Laryngeal Cancer0low10
Laryngeal Neoplasms0low10
Laryngitis0low10
Larynx Cancer0low10
Larynx Neoplasms0low10
Lassitude0medium31
Late Effects, Prenatal Exposure0low10
Late Onset Alzheimer Disease0low10
Late Onset Diseases0low10
Late Onset Disorders0low10
Late-Onset Disorders0low10
Late-Onset Globoid Cell Leukodystrophy0low10
Later Onset Disorders0low10
LDL Receptor Disorder0medium52
Learning Disabilities0low10
Learning Disorders0low10
Learning Disorders, Adult0low10
Learning Disturbance0low10
Left Flank Pain0low10
Left Main Coronary Artery Disease0low10
Left Main Coronary Disease0low10
Left Main Disease0low10
Left Ventricle Remodeling0low10
Left Ventricular Remodeling0low10
Left-Sided Heart Failure0low10
Lens Opacities0low150
Leucocythaemia0low10
Leucocythemia0low10
Leukemia0low10
Leukemia, Acute Myelogenous0low10
Leukemia, Acute Myeloid0low10
Leukemia, Acute Promyelocytic0low10
Leukemia, Myeloblastic, Acute0low10
Leukemia, Myelocytic, Acute0low10
Leukemia, Myelogenous, Acute0low10
Leukemia, Myeloid, Acute0low10
Leukemia, Myeloid, Acute, M10low10
Leukemia, Myeloid, Acute, M20low10
Leukemia, Myeloid, Acute, M30low10
Leukemia, Nonlymphoblastic, Acute0low10
Leukemia, Nonlymphocytic, Acute0low10
Leukemia, Progranulocytic0low10
Leukemia, Promyelocytic, Acute0low10
Leukocytopenia0low10
Leukodystrophy, Globoid Cell0low10
Leukodystrophy, Globoid Cell, Classic0low10
Leukodystrophy, Globoid Cell, Early-Onset0low10
Leukodystrophy, Globoid Cell, Infantile0low10
Leukodystrophy, Globoid Cell, Late-Onset0low10
Leukoencephalopathy, Progressive Multifocal0low10
Leukoma0low10
Leukopenia0low10
Leydig Cell Tumor0low10
Libman-Sacks Disease0low10
Lichen Planus0low10
Lichen Ruber Planus0low10
Lichen Rubra Planus0low10
Lipemia0medium476
Lipid Metabolism, Inborn Error0low110
Lipid Metabolism, Inborn Errors0low110
Lipidemia0medium476
Lipidoses0low30
Lipidosis0low30
Lipoidosis0low30
Liver Cancer0low360
Liver Cancer, Adult0low300
Liver Cell Carcinoma0low300
Liver Cell Carcinoma, Adult0low300
Liver Cirrhoses, Experimental0low70
Liver Cirrhosis0medium968
Liver Cirrhosis, Alcoholic0low110
Liver Cirrhosis, Biliary0medium10413
Liver Cirrhosis, Experimental0low70
Liver Cirrhosis, Obstructive0medium10413
Liver Diseases0medium894
Liver Diseases, Alcoholic0low20
Liver Dysfunction0medium894
Liver Failure0low40
Liver Failure, Acute0low10
Liver Failure, Chronic0low110
Liver Failure, Fulminant0low10
Liver Fibrosis0medium968
Liver Injury, Drug-Induced0medium553
Liver Injury, Drug-Induced, Acute0medium553
Liver Injury, Drug-Induced, Chronic0low10
Liver Neoplasms0low360
Liver Neoplasms, Experimental0low80
Liver Steatosis0medium161
Low Bone Density0low10
Low Bone Mineral Density0low10
Lower Extremity Weakness, Spastic0low20
Lung Adenocarcinoma0low10
Lung Cancer0low20
Lung Diseases0low10
Lung Injuries0low10
Lung Injury0low10
Lung Injury, Acute0low10
Lung Neoplasms0low20
Lupus Erythematosus Disseminatus0low10
Lupus Erythematosus, Systemic0low10
Lupus Glomerulonephritis0low10
Lupus Nephritis0low10
Lynch Cancer Family Syndrome I0low10
Lynch Syndrome0low10
Lynch Syndrome I0low10
M3 ANLL0low10
Maculopapular Drug Eruption0low10
Maculopapular Exanthem0low10
Major Depressive Disorder0low10
Malabsorption Syndromes0low90
Maladie du systu00E8me nerveux central@fr0low10
Malattie del sistema nervoso centrale@it0low10
Male Impotence0low10
Male Sexual Impotence0low10
Malignancy0low60
Malignant Epithelial Neoplasms0low70
Malignant Neoplasm of Breast0low80
Malignant Neoplasms0low60
Malignant Neoplasms, Brain0low10
Malignant Primary Brain Neoplasms0low10
Malignant Primary Brain Tumors0low10
Malignant Tumor of Breast0low80
Malnourishment0low10
Malnutrition0low10
Malnutrition in Infant0low10
Malnutrition, Infant0low10
Mammary Cancer0low80
Mammary Carcinoma, Human0low80
Mammary Dysplasia0low10
Mammary Neoplasm, Human0low80
Mammary Neoplasms, Human0low80
Marasmus0low10
Marginal Ulcer0low30
Mastocytoma0low10
Mastocytoma, Benign0low10
Mastocytoma, Extracutaneous0low10
Maturity-Onset Diabetes0medium183
Maturity-Onset Diabetes Mellitus0medium183
Meconium Aspiration0low10
Meconium Aspiration Syndrome0low10
Meconium Inhalation0low10
Mediterranean Fever, Familial0low10
Megacolon0low10
Melancholia, Involutional0low10
Mental Deficiency0low60
Mental Deterioration0low10
Mental Disorders0low10
Mental Disorders, Severe0low10
Mental Illness0low10
Mental Retardation0low60
Mental Retardation, Psychosocial0low60
Metabolic Bone Diseases0low10
Metabolic Brain Diseases0low120
Metabolic Brain Diseases, Acquired0low120
Metabolic Brain Syndrome0low120
Metabolic Brain Syndrome, Acquired0low120
Metabolic Brain Syndromes0low120
Metabolic Brain Syndromes, Acquired0low120
Metabolic Cardiovascular Syndrome0low100
Metabolic Diseases0low50
Metabolic Diseases, Acquired, Nervous System0low120
Metabolic Disorder, Central Nervous System, Acquired0low120
Metabolic Disorders, Brain0low120
Metabolic Disorders, Central Nervous System0low120
Metabolic Disorders, CNS0low120
Metabolic Disorders, CNS, Acquired0low120
Metabolic Encephalopathies0low120
Metabolic Syndrome0low100
Metabolic Syndrome X0low100
Metabolic X Syndrome0low100
Metabolism Errors, Inborn0low100
Metabolism, Inborn Errors0low100
Metaplasia0low10
Metastase0low10
Metastases, Neoplasm0low10
Metastasis0low10
Metastasis, Neoplasm0low10
Meulengracht Syndrome0medium31
Microangiopathic Hemolytic Anemia0low50
Microcalcification0medium101
Microcalcinosis0medium101
Microglandular Adenosis0low10
Migraine0medium73
Migraine Disorders0medium73
Migraine Headache0medium73
Migraine Variant0medium73
Mild Cognitive Impairment0low10
Mild Neurocognitive Disorder0low10
Minimal Brain Dysfunction0low10
Mitochondrial Diseases0low10
Mitochondrial Disorders0low10
Mitochondrial Electron Transport Chain Deficiencies0low10
Mitochondrial Respiratory Chain Deficiencies0low10
Mixed Infection0low10
MODY0medium183
Morbilliform Drug Reaction0low10
Morbilliform Exanthem0low10
Movement Disorder Syndromes0low20
Movement Disorders0low20
Mucoviscidosis0medium61
Multiple Abnormalities0low10
Multiple Myeloma0low20
Multiple Primary Neoplasms0low20
Multiple Primary Neoplasms, Synchronous0low20
Multiple System Atrophy0low10
Multiple System Atrophy Syndrome0low10
Multisynostotic Osteodysgenesis0low10
Multisynostotic Osteodysgenesis With Long Bone Fractures0low10
Multisystem Atrophy0low10
Multisystemic Atrophy0low10
Muscle Contraction0low70
Muscle Disorders0low100
Muscle Dystonia0low20
Muscle Relaxation0low10
Muscle Spasm0medium21
Muscle Spasticity0low30
Muscle Weakness0low10
Muscular Diseases0low100
Muscular Spasm0medium21
Muscular Weakness0low10
Musculoskeletal Diseases0low20
Mycobacterium tuberculosis Infection0low10
Myeloblastic Leukemia, Acute0low10
Myelocytic Leukemia, Acute0low10
Myelogenous Leukemia, Acute0low10
Myeloid Leukemia, Acute0low10
Myeloid Leukemia, Acute, M10low10
Myeloid Leukemia, Acute, M20low10
Myeloid Leukemia, Acute, M30low10
Myeloma-Multiple0low20
Myeloma, Multiple0low20
Myeloma, Plasma-Cell0low20
Myelomatosis0low20
Myelopathies, HTLV I Associated0low10
Myelopathy0low30
Myelopathy, Htlv-1-Associated0low10
Myelopathy, Human T-Lymphotropic Virus Type 1 Associated0low10
Myh-Associated Polyposis0low30
Myocardial Failure0low10
Myocardial Ischemic Reperfusion Injury0low10
Myocardial Remodeling, Ventricular0low10
Myocardial Reperfusion Injury0low10
Myoclonic Seizure0low10
Myoclonic Seizures0low10
Myopathic Conditions0low100
Myopathies0low100
Myopia0low10
Myotonia Atrophica0low10
Myotonia Dystrophica0low10
Myotonic Dystrophy0low10
Myotonic Dystrophy 10low10
Myotonic Dystrophy 20low10
Myotonic Dystrophy, Congenital0low10
Myotonic Myopathy, Proximal0low10
NAFLD0medium11412
Nasopharyngitis0low10
Nausea0medium11
Nearsightedness0low10
Necrosis0low50
Necrotizing Pancreatitis, Acute0low10
nemoci centru00E1lnu00EDho nervovu00E9ho systu00E9mu@cs0low10
Neonatal Diseases0low20
Neonatal Early-Onset Sepsis0low10
Neonatal Hyperbilirubinemia0low10
Neonatal Jaundice0low80
Neonatal Late-Onset Sepsis0low10
Neonatal Sepsis0low10
Neoplasia0low60
Neoplasm0low60
Neoplasm Invasion0low20
Neoplasm Invasiveness0low20
Neoplasm Metastases0low10
Neoplasm Metastasis0low10
Neoplasms0low60
Neoplasms, Benign0low60
Neoplasms, Bile Duct0low80
Neoplasms, Brain0low10
Neoplasms, Brain, Benign0low10
Neoplasms, Brain, Malignant0low10
Neoplasms, Brain, Primary0low10
Neoplasms, Breast0low80
Neoplasms, Cecal0low10
Neoplasms, Cervical0low10
Neoplasms, Cervix0low10
Neoplasms, Colonic0low430
Neoplasms, Colorectal0medium141
Neoplasms, Endometrial0medium21
Neoplasms, Esophageal0low80
Neoplasms, Experimental0low60
Neoplasms, Experimental Liver0low80
Neoplasms, Gallbladder0low80
Neoplasms, Gastric0low60
Neoplasms, Gastrointestinal0low20
Neoplasms, Hepatic0low360
Neoplasms, Intestinal0low20
Neoplasms, Intracranial0low10
Neoplasms, Intraepithelial0low10
Neoplasms, Laryngeal0low10
Neoplasms, Liver0low360
Neoplasms, Lung0low20
Neoplasms, Malignant Epithelial0low70
Neoplasms, Multiple Primary0low20
Neoplasms, Ovarian0medium21
Neoplasms, Pancreatic0medium102
Neoplasms, Pharyngeal0low10
Neoplasms, Pharynx0low10
Neoplasms, Prostate0low20
Neoplasms, Prostatic0low20
Neoplasms, Pulmonary0low20
Neoplasms, Rectal0low80
Neoplasms, Skin0low20
Neoplasms, Stomach0low60
Neoplasms, Synchronous0low20
Neoplasms, Synchronous Multiple Primary0low20
Neoplasms, Thyroid0low10
Neoplastic Cell Transformation0low30
Neoplastic Transformation, Cell0low30
Neovascularization, Pathologic0low20
Neovascularization, Pathological0low20
Nephritis0low30
Nephritis, Lupus0low10
Nephrogenic Diabetes Insipidus0low10
Nephrogenic Diabetes Insipidus, Type I0low10
Nephrogenic Diabetes Insipidus, Type II0low10
Nephrolith0low10
Nervous System Acquired Metabolic Diseases0low120
Nervous System Autoimmune Diseases0low10
Nervous System Degenerative Diseases0low30
Nervous System Diseases0low20
Nervous System Diseases, Autonomic0low10
Nervous System Diseases, Parasympathetic0low10
Nervous System Diseases, Sympathetic0low10
Nervous System Disorders0low20
Nervous System Immune Diseases0low10
Nervous System Immune Disorders0low10
Nesidioblastoma0low10
Neurodegenerative Diseases0low30
Neurodegenerative Disorders0low30
Neurodermatitis, Atopic0low10
Neurodermatitis, Disseminated0low10
Neurologic Autoimmune Diseases0low10
Neurologic Degenerative Conditions0low30
Neurologic Degenerative Diseases0low30
Neurologic Diseases, Degenerative0low30
Neurologic Disorders0low20
Neurological Disorders0low20
Neuromuscular Junction Diseases0low10
Neuromuscular Junction Disorders0low10
Neuromuscular Junction Toxic Disorders0low10
Neuromuscular Transmission Disorders0low10
NIDDM0medium183
Nodular Glomerulosclerosis0low10
Non-alcoholic Fatty Liver Disease0medium11412
Non-Epileptic Seizure0low10
Non-Epileptic Seizures0low10
Nonalcoholic Fatty Liver Disease0medium11412
Nonalcoholic Steatohepatitis0medium11412
Nonepileptic Seizure0low10
Nonepileptic Seizures0low10
Noninsulin-Dependent Diabetes Mellitus0medium183
Nonlymphoblastic Leukemia, Acute0low10
Nonlymphocytic Leukemia, Acute0low10
Nonreassuring Fetal Status0low20
Nutrition Disorders, Infant0low10
Nutritional Deficiency0low10
Obesity0medium505
Obesity, Abdominal0low10
Obesity, Visceral0low10
Occupational Diseases0low10
Occupational Illnesses0low10
Oncogenesis0low20
Oppositional Defiant Disorder0low10
Ormond Disease0low10
Ormond's Disease0low10
Oropharyngeal Dysphagia0low10
Orphan Diseases0low40
Orthopedic Disorders0low20
Osteoarthritis0low30
Osteoarthrosis0low30
Osteoarthrosis Deformans0low30
Osteodysgenesis, Multisynostotic, With Fractures0low10
Osteopenia0low10
Osteoporosis0low30
Osteoporosis, Age-Related0low30
Osteoporosis, Involutional0low30
Osteoporosis, Post-Traumatic0low30
Osteoporosis, Senile0low30
Ovarian Cancer0medium21
Ovarian Neoplasms0medium21
Ovary Cancer0medium21
Ovary Neoplasms0medium21
Overinclusion0low20
Overweight0low10
Oxidative Phosphorylation Deficiencies0low10
Pain0low20
Pain, Burning0low20
Pain, Chronic0low10
Pain, Crushing0low20
Pain, Migratory0low20
Pain, Radiating0low20
Pain, Splitting0low20
Palmo-Mental Reflex0low10
Pancreas Cancer0medium102
Pancreas Neoplasms0medium102
Pancreatic Cancer0medium102
Pancreatic Cystic Fibrosis0medium61
Pancreatic Duct Cell Carcinoma0low20
Pancreatic Ductal Carcinoma0low20
Pancreatic Insufficiency0low10
Pancreatic Islet Cell Tumors0low10
Pancreatic Necrosis0low10
Pancreatic Neoplasms0medium102
Pancreatic Parenchyma with Edema0medium121
Pancreatic Parenchymal Edema0medium121
Pancreatitis0medium121
Pancreatitis Necrotising0low10
Pancreatitis Necrotizing0low10
Pancreatitis, Acute0medium121
Pancreatitis, Acute Edematous0medium121
Pancreatitis, Acute Necrotizing0low10
Paralysis, Legs0low30
Paralysis, Lower Extremities0low30
Paralysis, Lower Limbs0low30
Paraparesis, Spastic0low20
Paraparesis, Tropical Spastic0low10
Paraphrenia, Involutional0low10
Paraplegia, Ataxic0low30
Paraplegia, Cerebral0low30
Paraplegia, Flaccid0low30
Paraplegia, Spastic0low30
Paraplegia, Spastic, Hereditary0low20
Paraplegia, Spinal0low30
Paraplegia, Tropical Spastic0low10
Parasympathetic Nervous System Diseases0low10
Parenterally-Transmitted Non-A, Non-B Hepatitis0low50
Paroxysmal Atrial Fibrillation0low10
Partial Seizure0low10
Partial Seizures0low10
Pathologic Angiogenesis0low20
Pathologic Calcification0medium101
Pathologic Constriction0low10
Pathologic Dilatation0medium61
Pathologic Dilatations0medium61
Pathologic Neovascularization0low20
Pathological Fracture0low10
Pathological Fractures0low10
Paucity of Interlobular Bile Ducts0low20
PBD, ZSS0low40
Pediatric Respiratory Distress Syndrome0low20
Peliosis Hepatis0low10
Peptic Ulcer0low30
Perianeurysmal Fibrosis, Inflammatory0low10
Perianeurysmal Inflammatory Fibrosis0low10
Periaortitis, Chronic0low10
Periodic Disease0low10
Periodic Disease, Wolff's0low10
Periodic Peritonitis0low10
Peripancreatic Fat Necrosis0medium121
Peripheral Autonomic Nervous System Diseases0low10
Peripheral Nerve Diseases0low40
Peripheral Nervous System Disease0low40
Peripheral Nervous System Diseases0low40
Peripheral Nervous System Disorders0low40
Peripheral Neuropathies0low40
Peroneal Muscular Atrophy with Pyramidal Features, Autosomal Dominant0low20
Peroperative Complications0low10
Peroxisome Biogenesis Disorders, Zellweger Syndrome Spectrum0low40
Persistent Atrial Fibrillation0low10
Petit Mal Convulsion0low10
Pharnyx Cancer0low10
Pharyngeal Cancer0low10
Pharyngeal Neoplasms0low10
Pharynx Neoplasms0low10
Physiological Neonatal Jaundice0low80
Picornaviridae Infections0low10
Picornavirus Infections0low10
Plasma Cell Myeloma0low20
Pneumonia, Ventilator-Associated0low10
PNS (Peripheral Nervous System) Diseases0low40
PNS Diseases0low40
Poisoning, Blood0low10
Poisoning, Carbon Tetrachloride0low20
Poisoning, CCl40low20
Poisoning, Food0low10
Polio0low10
Polio Encephalitis0low10
Poliomyelitis0low10
Poliomyelitis Infection0low10
Poliomyelitis, Acute0low10
Poliomyelitis, Nonpoliovirus0low10
Poliomyelitis, Preparalytic0low10
Polycystic Ovarian Syndrome0low10
Polycystic Ovary Syndrome0low10
Polycystic Ovary Syndrome 10low10
Polymicrobial Infection0low10
Polyneuropathies0low10
Polyneuropathy, Acquired0low10
Polyneuropathy, Critical Illness0low10
Polyneuropathy, Familial0low10
Polyneuropathy, Inflammatory Demyelinating, Chronic0low10
Polyneuropathy, Inherited0low10
Polyneuropathy, Motor0low10
Polyposis Coli0low30
Polyposis Coli, Familial0low30
Polyposis Syndrome, Familial0low30
Polyposis, Adenomatous Intestinal0low30
Polyradiculoneuropathy, Chronic Inflammatory0low10
Polyradiculoneuropathy, Chronic Inflammatory Demyelinating0low10
Polyserositis, Familial Paroxysmal0low10
Polyserositis, Recurrent0low10
POR Deficiency0low10
Porphyria0low20
Porphyria, Erythrohepatic0low10
Porphyria, Hepatoerythropoietic0low10
Porphyrias0low20
Porphyrin Disorder0low20
Portal-Systemic Encephalopathy0low90
Portosystemic Encephalopathy0low90
Postabsorptive Hypoglycemia0low20
Postoperative Complications0medium121
Postprandial Hyperglycemia0low10
Postprandial Hypoglycemia0low20
Pre-Eclampsia0low10
Precancerous Conditions0low30
Predisposition, Genetic0low20
Preeclampsia0low10
Preeclampsia Eclampsia 10low10
Pregnancy0medium794
Pregnancy Complications0medium301
Pregnancy in Diabetes0low10
Pregnancy in Diabetics0low10
Pregnancy Toxemias0low10
Prenatal Exposure Delayed Effects0low10
Preneoplastic Condition0low30
Preneoplastic Conditions0low30
Presenile Alzheimer Dementia0low10
Primary Biliary Cholangitis0medium10413
Primary Biliary Cirrhosis0medium10413
Primary Brain Neoplasms0low10
Primary Hyperthyroidism0low40
Primary Hypothyroidism0low30
Primary Malignant Brain Neoplasms0low10
Primary Malignant Brain Tumors0low10
Primary Sclerosing Cholangitis0medium164
Primary Senile Degenerative Dementia0low10
Progranulocytic Leukemia0low10
Progressive Multifocal Leukoencephalopathy0low10
PROMM (Proximal Myotonic Myopathy)0low10
Promyelocytic Leukemia, Acute0low10
Prostate Cancer0low20
Prostate Neoplasms0low20
Prostatic Cancer0low20
Prostatic Neoplasms0low20
Prostatitis0low10
Protein Deficiency0low20
Protein-Calorie Malnutrition0low10
Protein-Energy Malnutrition0low10
Proteinuria0low20
Proteinuria-Edema-Hypertension Gestosis0low10
Protoporphyria, Erythropoietic0low10
Proximal Myotonic Myopathy0low10
Pruritis0medium326
Pruritus0medium326
Pseudoaphakia0low150
Pseudohermaphroditism0low10
Pseudomonas aeruginosa Infection0low10
Pseudomonas Infections0low10
Psychiatric Diagnosis0low10
Psychiatric Diseases0low10
Psychiatric Disorders0low10
Psychiatric Illness0low10
Psychoses0low10
Psychosine Lipidosis0low10
Psychosis0low10
Psychosis, Brief Reactive0low10
Psychosis, Involutional0low10
Psychotic Disorders0low10
PT-NANBH0low50
Puerperal Disorders0low10
Pulmonary Cancer0low20
Pulmonary Cystic Fibrosis0medium61
Pulmonary Disease0low10
Pulmonary Diseases0low10
Pulmonary Embolism0low10
Pulmonary Embolisms0low10
Pulmonary Fibroses0low40
Pulmonary Fibrosis0low40
Pulmonary Hypertension0low20
Pulmonary Injury0low10
Pulmonary Neoplasms0low20
Pulmonary Thromboembolism0low10
Pulmonary Thromboembolisms0low10
Pyaemia0low10
Pyemia0low10
Pyohemia0low10
Pyridoxine Deficiency0low10
Pyrosis0low20
Quincke's Edema0low10
Rare Diseases0low40
Reactive Hypoglycemia0low20
Reaven Syndrome X0low100
Recrudescence0medium7010
Rectal Cancer0low80
Rectal Neoplasms0low80
Rectal Tumors0low80
Rectum Cancer0low80
Rectum Neoplasms0low80
Recurrence0medium7010
Recurrent Polyserositis0low10
Reflex, Abnormal0low10
Reflex, Absent0low10
Reflex, Acoustic, Abnormal0low10
Reflex, Anal, Absent0low10
Reflex, Anal, Decreased0low10
Reflex, Ankle, Abnormal0low10
Reflex, Ankle, Absent0low10
Reflex, Ankle, Decreased0low10
Reflex, Biceps, Abnormal0low10
Reflex, Biceps, Absent0low10
Reflex, Biceps, Decreased0low10
Reflex, Corneal, Absent0low10
Reflex, Corneal, Decreased0low10
Reflex, Decreased0low10
Reflex, Deep Tendon, Abnormal0low10
Reflex, Deep Tendon, Absent0low10
Reflex, Gag, Absent0low10
Reflex, Gag, Decreased0low10
Reflex, Knee, Abnormal0low10
Reflex, Knee, Decreased0low10
Reflex, Moro, Asymmetric0low10
Reflex, Pendular0low10
Reflex, Triceps, Abnormal0low10
Reflex, Triceps, Absent0low10
Reflex, Triceps, Decreased0low10
Reflexes, Abnormal0low10
Reflux, Gastroesophageal0low80
Regional Enteritis0low120
Relapse0medium7010
Remission, Spontaneous0medium21
Renal Calculi0low10
Renal Calculus0low10
Renal Disease, End-Stage0low20
Renal Failure, Acute0medium41
Renal Failure, Chronic0low20
Renal Failure, End-Stage0low20
Renal Insufficiency, Acute0medium41
Reperfusion Damage0low40
Reperfusion Injury0low40
Reperfusion Injury, Myocardial0low10
Respiratory Aspiration0low10
Respiratory Chain Deficiencies, Mitochondrial0low10
Respiratory Distress Syndrome0low20
Respiratory Distress Syndrome, Acute0low20
Respiratory Distress Syndrome, Adult0low20
Respiratory Distress Syndrome, Pediatric0low20
Respiratory Infections0low10
Respiratory Tract Infections0low10
Retardation, Mental0low60
Retroperitoneal Fibrosis0low10
Rheumatoid Arthritis0low50
Ricker Syndrome0low10
Right Flank Pain0low10
Right Ventricular Hypertrophy0low10
Right-Sided Heart Failure0low10
Rotavirus Infections0low10
Rotor Syndrome0medium41
Salmonella Infections0low10
Salmonellosis0low10
Schizoaffective Disorder0low10
Schizophrenia0low10
Schizophrenic Disorders0low10
Schizophreniform Disorders0low10
Scholastic Skills Development Disorders0low10
Sclerocystic Ovarian Degeneration0low10
Sclerocystic Ovaries0low10
Sclerocystic Ovary Syndrome0low10
Sclerosing Cholangitis0medium164
Secondary Biliary Cholangitis0medium10413
Secondary Biliary Cirrhosis0medium10413
Secondary Hypothyroidism0low30
Secondary Infection0low10
Secondary Infections0low10
Segmental Autonomic Dysfunction0low10
Seizure0low10
Seizure Disorder0low30
Seizures0low10
Seizures, Auditory0low10
Seizures, Clonic0low10
Seizures, Convulsive0low10
Seizures, Epileptic0low10
Seizures, Focal0low10
Seizures, Generalized0low10
Seizures, Gustatory0low10
Seizures, Motor0low10
Seizures, Olfactory0low10
Seizures, Sensory0low10
Seizures, Somatosensory0low10
Seizures, Tonic0low10
Seizures, Tonic-Clonic0low10
Seizures, Vertiginous0low10
Seizures, Vestibular0low10
Seizures, Visual0low10
Senile Dementia, Acute Confusional0low10
Senile Dementia, Alzheimer Type0low10
Senile Osteoporosis0low30
Senile Paranoid Dementia0low20
Sensitivity and Specificity0low90
Sepsis0low10
Sepsis, Neonatal0low10
Septicemia0low10
Severe Jaundice in Neonate0low80
Severe Jaundice in Newborn0low80
Severe Sepsis0low10
Sex Development Disorders0low10
Sex Differentiation Disorders0low10
Sexual Development Disorders0low10
Sexual Differentiation Disorders0low10
Sexually Transmitted Diseases0low10
Sexually Transmitted Infections0low10
Shigella Dysentery0low10
Shigella Infection0low10
Shigellosis0low10
Shock Lung0low20
Short Bowel Syndrome0low10
Sicca Syndrome0low10
Sick Headache0medium73
Sickle Cell Anemia0low10
Sickle Cell Disease0low10
Sickle Cell Disorders0low10
Sickling Disorder Due to Hemoglobin S0low10
Side Effects of Drugs0low30
Single Seizure0low10
Sjogren Syndrome0low10
Sjogren's Syndrome0low10
Skin Cancer0low20
Skin Neoplasms0low20
Small Airway Remodeling0low10
Small Airway Remodelling0low10
Solitary Cysts0low10
Spasm0medium21
Spasm, Ciliary Body0medium21
Spasm, Generalized0medium21
Spastic0low30
Spastic Lower Extremity Weakness0low20
Spastic Paraparesis0low20
Spastic Paraplegia0low30
Spastic Paraplegia 20low20
Spastic Paraplegia Type 20low20
Spastic Paraplegia-Hypertrophic Motor-Sensory Neuropathy0low20
Spastic Paraplegia, Autosomal Dominant, Hereditary0low20
Spastic Paraplegia, Autosomal Recessive, Hereditary0low20
Spastic Paraplegia, Hereditary0low20
Spastic Paraplegia, Hereditary, Autosomal Dominant0low20
Spastic Paraplegia, Hereditary, Autosomal Recessive0low20
Spastic Paraplegia, Hereditary, X-Linked Recessive0low20
Spastic Paraplegia, X-Linked Recessive, Hereditary0low20
Spinal Cord Diseases0low30
Spinal Cord Disorders0low30
Spinal Diseases0low10
Splenomegaly0low20
Sprue0low60
Sprue, Celiac0low60
Sprue, Nontropical0low60
Sprue, Tropical0low10
Squamous Cell Carcinoma0low20
SREDIu0160NJI u017DIVu010CANI SUSTAV, BOLESTI@hr0low10
Stagnant Loop Syndrome0low20
Starvation0low20
Status Marmoratus0low20
Status Migrainosus0medium73
STDs0low10
Steatohepatitis0medium161
Steatorrhea0low10
Steatosis of Liver0medium161
Stein-Leventhal Syndrome0low10
Steinert Disease0low10
Steinert Myotonic Dystrophy0low10
Steinert's Disease0low10
Stenosis0low10
Steroid Metabolic Diseases, Inborn0low30
Steroid Metabolism, Inborn Errors0low30
STIs0low10
Stomach Cancer0low60
Stomach Neoplasms0low60
Stomach Ulcer0low60
Streptozocin Diabetes0low140
Streptozotocin Diabetes0low140
Stricture0low10
Stroke0low10
Stroke, Acute0low10
Stunted Growth0low20
Stunting0low20
Subchondral Cysts0low10
Subdural Hematoma0low10
Subdural Hematoma, Traumatic0low10
Suffering, Physical0low20
Surgical Injuries0low10
Susceptibility, Disease0low20
Susceptibility, Genetic0low20
Swallowing Disorders0low10
Swine Diseases0low10
Sykdommer i sentralnervesystemet@no0low10
Sympathetic Nervous System Diseases0low10
Symptom Cluster0low130
Synchronous Multiple Primary Neoplasms0low20
Synchronous Neoplasms0low20
Syndrome0low130
Syndrome X, Insulin Resistance0low100
Syndrome X, Metabolic0low100
Systemic Lupus Erythematosus0low10
T-Lymphotropic Virus Type III Infections, Human0low20
Tachycardia, Supraventricular0low10
Tendinitis0low20
Tendinopathy0low20
Tendinosis0low20
Tendonitis0low20
Tendonopathy0low20
Tendonosis0low20
Thesaurismosis0low50
Thromboembolism0low20
Thromboembolism, Pulmonary0low10
Thromboembolisms, Pulmonary0low10
Thrombosis0low20
Thrombus0low20
Thyroid Adenoma0low10
Thyroid Cancer0low10
Thyroid Carcinoma0low10
Thyroid Diseases0low10
Thyroid Neoplasms0low10
Thyroid-Stimulating Hormone Deficiency0low30
Tonic Clonic Seizure0low10
Tonic Seizure0low10
Tonic Seizures0low10
Tonic-Clonic Seizure0low10
Tonic-Clonic Seizures0low10
Toxemia Of Pregnancy0low10
Toxemias, Pregnancy0low10
Toxic Disorders, Neuromuscular Junction0low10
Toxic Hepatitis0medium553
Toxicity, Drug0low30
Transformation, Neoplastic Cell0low30
Trapezoidocephaly-Synostosis Syndrome0low10
Tremor, Rubral0low40
Tropical Spastic Paraparesis0low10
TSH Deficiency0low30
Tuberculosis0low10
Tuberculosis, Gastrointestinal0low10
Tumorigenesis0low20
Tumorigenic Transformation0low30
Tumors0low60
Tumors, Breast0low80
Type 1 Diabetes0low40
Type 1 Diabetes Mellitus0low40
Type 2 Diabetes0medium183
Type 2 Diabetes Mellitus0medium183
Type V Hereditary Motor and Sensory Neuropathy0low20
u041Du0415u0420u0412u041Du041Eu0419 u0421u0418u0421u0422u0415u041Cu042B u0426u0415u041Du0422u0420u0410u041Bu042Cu041Du041Eu0419 u0411u041Eu041Bu0415u0417u041Du0418@ru0low10
u4E2Du67A2u795Eu7D4Cu7CFBu75BEu60A3@ja0low10
Ulcerative Colitis0medium103
Unconjugated Benign Bilirubinemia0medium31
Undernutrition0low10
Upper Respiratory Infections0low10
Upper Respiratory Tract Infection0low10
Upper Respiratory Tract Infections0low10
Uremia0low20
Urticaria, Giant0low10
Uterine Cervical Cancer0low10
Uterine Cervical Neoplasms0low10
Van Bogaert-Scherer-Epstein Disease0medium1005
Varices0low10
Varicose Veins0low10
Varix0low10
Vascular Accident, Brain0low10
Vascular Diseases0low10
Vasogenic Brain Edema0low10
Vasogenic Cerebral Edema0low10
Vasopressin-Resistant Diabetes Insipidus0low10
Venereal Diseases0low10
Ventilator-Associated Pneumonia0low10
Ventricle Remodeling0low10
Ventricular Hypertrophy, Right0low10
Ventricular Remodeling0low10
Vesication0low10
Viral Encephalitis0low10
Viral Hepatitis, Human0medium81
Visceral Obesity0low10
Visceral Steatosis0medium161
Vitamin A Deficiency0low10
Vitamin B 6 Deficiency0low10
Vitamin B6 Deficiency0low10
Vitamin C Deficiency0low10
Vitamin Deficiency0low20
Vitamin Deficiency, B60low10
Vitamin K Deficiency0low10
Vomiting0low10
Water Stress0low10
Watson Alagille Syndrome0low20
Watson Miller Syndrome0low20
Watson-Miller syndrome0low20
Weight Gain0low40
Weight Loss0medium64
Weight Reduction0medium64
Widespread Chronic Pain0low10
Wolff Periodic Disease0low10
Wolff's Periodic Disease0low10
X Linked Recessive Hereditary Spastic Paraplegia0low20
X-linked Recessive Hereditary Spastic Paraplegia0low20
X-Linked, Spastic Paraplegia, Hereditary0low20
Xanthoma0low600
Xanthomatosis0low600
Zellweger Disease0low40
Zellweger Spectrum0low40
Zellweger Syndrome0low40
Zellweger Syndrome Spectrum0low40
Zellweger-Like Syndrome0low40
Zellweger's Syndrome0low40
Zentralnervensystemkrankheiten@de0low10
Ziekte, centraalzenuwstelsel-@nl0low10
Zollinger-Ellison Syndrome0low20

Research Highlights

Safety/Toxicity (46)

ArticleYear
Safety and tolerability of obeticholic acid in chronic liver disease: a pooled analysis of 1878 individuals.
Hepatology communications, 03-01, Volume: 7, Issue: 3		2023
Predictors of serious adverse events and non-response in cirrhotic patients with primary biliary cholangitis treated with obeticholic acid.
Liver international : official journal of the International Association for the Study of the Liver, Volume: 42, Issue: 11		2022
Efficacy and safety of obeticholic acid in liver disease-A systematic review and meta-analysis.
Clinics and research in hepatology and gastroenterology, Volume: 45, Issue: 3		2021
Effectiveness and safety of obeticholic acid in a Southern European multicentre cohort of patients with primary biliary cholangitis and suboptimal response to ursodeoxycholic acid.
Alimentary pharmacology & therapeutics, Volume: 53, Issue: 4		2021
The safety and effectiveness of chenodeoxycholic acid treatment in patients with cerebrotendinous xanthomatosis: two retrospective cohort studies.
Neurological sciences : official journal of the Italian Neurological Society and of the Italian Society of Clinical Neurophysiology, Volume: 41, Issue: 4		2020
REGENERATE: Design of a pivotal, randomised, phase 3 study evaluating the safety and efficacy of obeticholic acid in patients with fibrosis due to nonalcoholic steatohepatitis.
Contemporary clinical trials, Volume: 84		2019
Long-term efficacy and safety of obeticholic acid for patients with primary biliary cholangitis: 3-year results of an international open-label extension study.
The lancet. Gastroenterology & hepatology, Volume: 4, Issue: 6		2019
Are Clinicians Ready for Safe Use of Stratified Therapy in Primary Biliary Cholangitis (PBC)? A Study of Educational Awareness.
Digestive diseases and sciences, Volume: 63, Issue: 10		2018
Review article: therapeutic bile acids and the risks for hepatotoxicity.
Alimentary pharmacology & therapeutics, Volume: 47, Issue: 12		2018
Identification of Bile Acids Responsible for Inhibiting the Bile Salt Export Pump, Leading to Bile Acid Accumulation and Cell Toxicity in Rat Hepatocytes.
Journal of pharmaceutical sciences, Volume: 106, Issue: 9		2017
Activation of the Farnesoid X-receptor in breast cancer cell lines results in cytotoxicity but not increased migration potential.
Cancer letters, Jan-28, Volume: 370, Issue: 2		2016
Toxicity and intracellular accumulation of bile acids in sandwich-cultured rat hepatocytes: role of glycine conjugates.
Toxicology in vitro : an international journal published in association with BIBRA, Volume: 28, Issue: 2		2014
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
PLoS computational biology, Volume: 7, Issue: 12		2011
FXR activation improves myocardial fatty acid metabolism in a rodent model of obesity-driven cardiotoxicity.
Nutrition, metabolism, and cardiovascular diseases : NMCD, Volume: 23, Issue: 2		2013
Bile acid toxicity structure-activity relationships: correlations between cell viability and lipophilicity in a panel of new and known bile acids using an oesophageal cell line (HET-1A).
Bioorganic & medicinal chemistry, Sep-15, Volume: 18, Issue: 18		2010
Developing structure-activity relationships for the prediction of hepatotoxicity.
Chemical research in toxicology, Jul-19, Volume: 23, Issue: 7		2010
Plasma bile acid concentrations in patients with human immunodeficiency virus infection receiving protease inhibitor therapy: possible implications for hepatotoxicity.
Pharmacotherapy, Volume: 30, Issue: 1		2010
Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
Current drug discovery technologies, Volume: 1, Issue: 4		2004
Role of mitochondrial dysfunction in combined bile acid-induced cytotoxicity: the switch between apoptosis and necrosis.
Toxicological sciences : an official journal of the Society of Toxicology, Volume: 79, Issue: 1		2004
Bile acid composition in snake bile juice and toxicity of snake bile acids to rats.
Comparative biochemistry and physiology. Toxicology & pharmacology : CBP, Volume: 136, Issue: 3		2003
Effect of chenodeoxycholic acid on the toxicity of 5alpha-cyprinol sulfate in rats.
Toxicology, Sep-30, Volume: 179, Issue: 1-2		2002
The role of ursodeoxycholic acid in bile acid-mediated kidney fragment toxicity.
Experimental and toxicologic pathology : official journal of the Gesellschaft fur Toxikologische Pathologie, Volume: 51, Issue: 1		1999
Extrahepatic deposition and cytotoxicity of lithocholic acid: studies in two hamster models of hepatic failure and in cultured human fibroblasts.
Hepatology (Baltimore, Md.), Volume: 27, Issue: 2		1998
Cytotoxicity of bile salts against biliary epithelium: a study in isolated bile ductule fragments and isolated perfused rat liver.
Hepatology (Baltimore, Md.), Volume: 26, Issue: 1		1997
Toxicity order of cholanic acids using an immobilised cell biosensor.
Journal of pharmaceutical and biomedical analysis, Volume: 14, Issue: 8-10		1996
Toxicity of bile acids to colon cancer cell lines.
Cancer letters, Jul-16, Volume: 70, Issue: 3		1993
[In vitro analysis for cellular toxicity of polychlorinated biphenyls (PCBs) and 2,3,4,7,8-pentacholorodibenzofuran (PCDF) on PLC/PRF/5 cell proliferation (II)--The effects of ursodeoxycholic acid and chenodeoxycholic acid on cell toxicity].
Fukuoka igaku zasshi = Hukuoka acta medica, Volume: 84, Issue: 5		1993
Ursodeoxycholate protects oxidative mitochondrial metabolism from bile acid toxicity: dose-response study in isolated rat liver mitochondria.
Hepatology (Baltimore, Md.), Volume: 20, Issue: 6		1994
Toxicity of bile acids on the electron transport chain of isolated rat liver mitochondria.
Hepatology (Baltimore, Md.), Volume: 19, Issue: 2		1994
Hepatotoxicity of bile acids in rabbits: ursodeoxycholic acid is less toxic than chenodeoxycholic acid.
Laboratory investigation; a journal of technical methods and pathology, Volume: 46, Issue: 4		1982
Relationship between serum and biliary bile acids as an indicator of chenodeoxycholic and ursodeoxycholic acid-induced hepatotoxicity in the rhesus monkey.
Digestive diseases and sciences, Volume: 27, Issue: 5		1982
Chenodiol (chenodeoxycholic acid) for dissolution of gallstones: the National Cooperative Gallstone Study. A controlled trial of efficacy and safety.
Annals of internal medicine, Volume: 95, Issue: 3		1981
Prevention of toxicity to isolated hepatocytes by liposome entrapment of chenodeoxycholic acid.
Toxicology letters, Volume: 21, Issue: 1		1984
Investigations on the toxicity of bile salt solutions, Capmul 8210 and a bile salt-EDTA solution for common bile duct perfusion in dogs.
Digestion, Volume: 30, Issue: 1		1984
Comparative efficacy and side effects of ursodeoxycholic and chenodeoxycholic acids in dissolving gallstones. A double-blind controlled study.
Gastroenterology, Volume: 85, Issue: 6		1983
Gallstone dissolution treatment with a combination of chenodeoxycholic and ursodeoxycholic acids. Studies of safety, efficacy and effects on bile lithogenicity, bile acid pool, and serum lipids.
Digestive diseases and sciences, Volume: 31, Issue: 10		1986
Bile acid-induced liver toxicity: relation to the hydrophobic-hydrophilic balance of bile acids.
Medical hypotheses, Volume: 19, Issue: 1		1986
Tauroursodeoxycholate prevents taurolithocholate-induced cholestasis and toxicity in rat liver.
Journal of hepatology, Volume: 10, Issue: 3		1990
Efficacy and safety of ursodeoxycholic acid for dissolution of gallstone fragments: comparison with the combination of ursodeoxycholic acid and chenodeoxycholic acid.
Hepatology (Baltimore, Md.), Volume: 14, Issue: 6		1991
The lack of relationship between hepatotoxicity and lithocholic-acid sulfation in biliary bile acids during chenodiol therapy in the National Cooperative Gallstone Study.
Hepatology (Baltimore, Md.), Volume: 14, Issue: 3		1991
Toxicity of chenodeoxycholic acid in the rhesus monkey.
Gastroenterology, Volume: 69, Issue: 2		1975
Toxicity of chenodeoxycholic acid in the nonhuman primate.
Surgery, Volume: 77, Issue: 6		1975
Impaired lithocholate sulfation in the rhesus monkey: a possible mechanism for chenodeoxycholate toxicity.
Gastroenterology, Volume: 70, Issue: 6		1976
Lack of toxicity of chenodeoxycholic acid in the squirrel monkey.
Gastroenterology, Volume: 73, Issue: 2		1977
Studies on plasma cytotoxicity and liver regeneration in fulminant hepatic failure.
Ciba Foundation symposium, Issue: 55		1977
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Long-term Use (9)

ArticleYear
Differential effects of FXR or TGR5 activation in cholangiocarcinoma progression.
Biochimica et biophysica acta. Molecular basis of disease, Volume: 1864, Issue: 4 Pt B		2018
Emerging and future therapies for nonalcoholic steatohepatitis in adults.
Expert opinion on pharmacotherapy, Volume: 17, Issue: 14		2016
Polyneuropathy in cerebrotendinous xanthomatosis and response to treatment with chenodeoxycholic acid.
Journal of neurology, Volume: 260, Issue: 1		2013
High-dose ursodeoxycholic acid is associated with the development of colorectal neoplasia in patients with ulcerative colitis and primary sclerosing cholangitis.
The American journal of gastroenterology, Volume: 106, Issue: 9		2011
15 alpha-hydroxylation of a bile acid analogue, sodium 3 alpha,7 alpha-dihydroxy-25,26-bishomo-5 beta-cholane-26-sulfonate in the hamster.
Journal of lipid research, Volume: 37, Issue: 6		1996
Current management of symptomatic gallstones.
Postgraduate medicine, Volume: 93, Issue: 1		1993
Serum bile acids in relation to disease activity and intake of dietary fibers in juvenile ulcerative colitis.
Digestion, Volume: 50, Issue: 3-4		1991
Hepatic toxicity in the rhesus monkey treated with chenodeoxycholic acid for 6 months: biochemical and ultrastructural studies.
Gastroenterology, Volume: 70, Issue: 1		1976
Chronic administration of chenodeoxycholic acid increases cholesterol saturation in bile in the dog.
European journal of clinical investigation, Volume: 9, Issue: 1		1979
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Pharmacokinetics (23)

ArticleYear
Differential effects of metformin-mediated BSEP repression on pravastatin and bile acid pharmacokinetics in humans: A randomized controlled trial.
Clinical and translational science, Volume: 15, Issue: 10		2022
A Sensitive HPLC-MS/MS Method for Determination of Obeticholic Acid in Human Plasma: Application to a Pharmacokinetic Study in Healthy Volunteers.
Journal of chromatographic science, Jul-12, Volume: 60, Issue: 6		2022
A novel LC-MS/MS method for simultaneous estimation of obeticholic acid, glyco-obeticholic acid, tauro-obeticholic acid in human plasma and its application to a pharmacokinetic study.
Journal of separation science, Volume: 44, Issue: 7		2021
Improvements in the Oral Absorption and Anticancer Efficacy of an Oxaliplatin-Loaded Solid Formulation: Pharmacokinetic Properties in Rats and Nonhuman Primates and the Effects of Oral Metronomic Dosing on Colorectal Cancer.
International journal of nanomedicine, Volume: 15		2020
An ultra-performance liquid chromatography-tandem mass spectrometry method for the determination of obeticholic acid in rat plasma and its application in preclinical pharmacokinetic studies.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, Jul-15, Volume: 1121		2019
Assessment of Pharmacokinetic Interactions Between Obeticholic Acid and Caffeine, Midazolam, Warfarin, Dextromethorphan, Omeprazole, Rosuvastatin, and Digoxin in Phase 1 Studies in Healthy Subjects.
Advances in therapy, Volume: 34, Issue: 9		2017
The Associations between Circulating Bile Acids and the Muscle Volume in Patients with Non-alcoholic Fatty Liver Disease (NAFLD).
Internal medicine (Tokyo, Japan), Volume: 56, Issue: 7		2017
Treatment with the natural FXR agonist chenodeoxycholic acid reduces clearance of plasma LDL whilst decreasing circulating PCSK9, lipoprotein(a) and apolipoprotein C-III.
Journal of internal medicine, Volume: 281, Issue: 6		2017
Farnesoid X Receptor Activation Promotes Hepatic Amino Acid Catabolism and Ammonium Clearance in Mice.
Gastroenterology, Volume: 152, Issue: 6		2017
Effect of 12-oxochenodeoxycholate on the pharmacokinetics and pharmacodynamics of morphine 6-glucuronide in Wistar rats.
The Journal of pharmacy and pharmacology, Volume: 65, Issue: 4		2013
Pharmacodynamic and clinical endpoints for functional colonic disorders: statistical considerations.
Digestive diseases and sciences, Volume: 58, Issue: 2		2013
Chenodeoxycholate in females with irritable bowel syndrome-constipation: a pharmacodynamic and pharmacogenetic analysis.
Gastroenterology, Volume: 139, Issue: 5		2010
Clinical pharmacokinetics of therapeutic bile acids.
Clinical pharmacokinetics, Volume: 30, Issue: 5		1996
[Effect of cisapride on clearance of gallstone fragments after extracorporeal shockwave lithotripsy of gallstones].
Wiener klinische Wochenschrift, Volume: 106, Issue: 4		1994
Caffeine clearance in subjects with constitutional unconjugated hyperbilirubinemia.
The Italian journal of gastroenterology, Volume: 27, Issue: 3		1995
Gall bladder volume and serum bile acids in cholestasis of pregnancy.
British journal of obstetrics and gynaecology, Volume: 89, Issue: 1		1982
Simulation of the metabolism and enterohepatic circulation of endogenous deoxycholic acid in humans using a physiologic pharmacokinetic model for bile acid metabolism.
Gastroenterology, Volume: 93, Issue: 4		1987
Simulation of the metabolism and enterohepatic circulation of endogenous chenodeoxycholic acid in man using a physiological pharmacokinetic model.
European journal of clinical investigation, Volume: 16, Issue: 5		1986
Increased gallbladder residual volume in nonresponders to extracorporeal shock wave lithotripsy of gallbladder stones.
The American journal of gastroenterology, Volume: 87, Issue: 10		1992
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioavailability (29)

ArticleYear
Development of an orally delivered GLP-1 receptor agonist through peptide engineering and drug delivery to treat chronic disease.
Scientific reports, 11-18, Volume: 11, Issue: 1		2021
Improvements in the Oral Absorption and Anticancer Efficacy of an Oxaliplatin-Loaded Solid Formulation: Pharmacokinetic Properties in Rats and Nonhuman Primates and the Effects of Oral Metronomic Dosing on Colorectal Cancer.
International journal of nanomedicine, Volume: 15		2020
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, Volume: 96, Issue: 5		2019
Ceftriaxone Absorption Enhancement for Noninvasive Administration as an Alternative to Injectable Solutions.
Antimicrobial agents and chemotherapy, Volume: 62, Issue: 12		2018
Enhanced oral absorption of pemetrexed by ion-pairing complex formation with deoxycholic acid derivative and multiple nanoemulsion formulations: preparation, characterization, and in vivo oral bioavailability and anticancer effect.
International journal of nanomedicine, Volume: 13		2018
Structure-activity relationship of hybrids of Cinchona alkaloids and bile acids with in vitro antiplasmodial and antitrypanosomal activities.
European journal of medicinal chemistry, Jul-15, Volume: 100		2015
Cyclodextrins improve oral absorption of a novel factor Xa inhibitor by interfering with interaction between the drug and bile acids in rats.
The Journal of pharmacy and pharmacology, Volume: 65, Issue: 11		2013
Probiotics decreased the bioavailability of the bile acid analog, monoketocholic acid, when coadministered with gliclazide, in healthy but not diabetic rats.
European journal of drug metabolism and pharmacokinetics, Volume: 37, Issue: 2		2012
Structural requirements of the ASBT by 3D-QSAR analysis using aminopyridine conjugates of chenodeoxycholic acid.
Bioconjugate chemistry, Nov-17, Volume: 21, Issue: 11		2010
Increasing ursodeoxycholic acid in the enterohepatic circulation of pigs through the administration of living bacteria.
The British journal of nutrition, Volume: 93, Issue: 4		2005
Increased acyclovir oral bioavailability via a bile acid conjugate.
Molecular pharmaceutics, Jan-12, Volume: 1, Issue: 1		2004
Gum arabic (GA) modifies paracellular water and electrolyte transport in the small intestine.
Digestive diseases and sciences, Volume: 48, Issue: 4		2003
Single or multiple dose ursodeoxycholic acid for cholestatic liver disease: biliary enrichment and biochemical response.
Journal of hepatology, Volume: 25, Issue: 6		1996
Permeation enhancement of octreotide by specific bile salts in rats and human subjects: in vitro, in vivo correlations.
British journal of pharmacology, Volume: 117, Issue: 1		1996
Clinical pharmacokinetics of therapeutic bile acids.
Clinical pharmacokinetics, Volume: 30, Issue: 5		1996
Intestinal absorption of bile acids in the rabbit: different transport rates in jejunum and ileum.
Gastroenterology, Volume: 110, Issue: 2		1996
Formation, absorption, and biotransformation of delta 6-lithocholenic acid in humans.
The American journal of physiology, Volume: 264, Issue: 1 Pt 1		1993
Intestinal solubilization, absorption, pharmacokinetics and bioavailability of chenodeoxycholic acid.
European journal of clinical investigation, Volume: 10, Issue: 4		1980
Absorption of 7-ketolithocholic acid in rat jejunum, ileum and colon.
Zeitschrift fur Gastroenterologie, Volume: 23, Issue: 12		1985
Absorption of urso- and chenodeoxycholic acid and their taurine and glycine conjugates in rat jejunum, ileum, and colon.
Digestion, Volume: 32, Issue: 1		1985
Colonic absorption of sulfated and nonsulfated bile acids in rat.
Digestion, Volume: 33, Issue: 1		1986
Intestinal absorption of ursodeoxycholic acid in patients with extrahepatic biliary obstruction and bile drainage.
Gastroenterology, Volume: 102, Issue: 3		1992
Effect of varying doses of chenodeoxycholic acid on bile lipid and biliary bile acid composition in gallstone patients: a dose-response study.
The American journal of digestive diseases, Volume: 22, Issue: 1		1977
Changes in biliary lipid and biliary bile acid composition in patients after administration of ursodeoxycholic acid.
Journal of lipid research, Volume: 19, Issue: 6		1978
Colonic absorption of unconjugated bile acids: perfusion studies in man.
Digestive diseases and sciences, Volume: 24, Issue: 7		1979
Intestinal oxalate absorption. I. Absorption in vitro.
Research in experimental medicine. Zeitschrift fur die gesamte experimentelle Medizin einschliesslich experimenteller Chirurgie, Aug-16, Volume: 171, Issue: 1		1977
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Dosage (64)

ArticleYear
Primary biliary cholangitis.
Lancet (London, England), 12-12, Volume: 396, Issue: 10266		2020
Improvements in the Oral Absorption and Anticancer Efficacy of an Oxaliplatin-Loaded Solid Formulation: Pharmacokinetic Properties in Rats and Nonhuman Primates and the Effects of Oral Metronomic Dosing on Colorectal Cancer.
International journal of nanomedicine, Volume: 15		2020
Therapeutic effects of the selective farnesoid X receptor agonist obeticholic acid in a monocrotaline-induced pulmonary hypertension rat model.
Journal of endocrinological investigation, Volume: 42, Issue: 8		2019
FXR-Dependent Modulation of the Human Small Intestinal Microbiome by the Bile Acid Derivative Obeticholic Acid.
Gastroenterology, Volume: 155, Issue: 6		2018
Obeticholic acid for severe bile acid diarrhea with intestinal failure: A case report and review of the literature.
World journal of gastroenterology, Jun-07, Volume: 24, Issue: 21		2018
Clarification of Obeticholic Acid Dosing: Response to "Occurrence of Jaundice Following Simultaneous Ursodeoxycholic Acid Cessation and Obeticholic Acid Initiation" by Quigley et al.
Digestive diseases and sciences, Volume: 63, Issue: 7		2018
A randomized trial of obeticholic acid monotherapy in patients with primary biliary cholangitis.
Hepatology (Baltimore, Md.), Volume: 67, Issue: 5		2018
Simultaneous Determination of Ursodeoxycholic Acid and Chenodeoxycholic Acid in Pharmaceutical Dosage Form by HPLC-UV Detection.
Journal of AOAC International, Jan-01, Volume: 100, Issue: 1		2017
Therapy of Primary Biliary Cirrhosis: Novel Approaches for Patients with Suboptimal Response to Ursodeoxycholic Acid.
Digestive diseases (Basel, Switzerland), Volume: 33 Suppl 2		2015
Hepatotoxicity due to chenodeoxycholic acid supplementation in an infant with cerebrotendinous xanthomatosis: implications for treatment.
European journal of pediatrics, Volume: 175, Issue: 1		2016
Nonalcoholic steatohepatitis as a novel player in metabolic syndrome-induced erectile dysfunction: an experimental study in the rabbit.
Molecular and cellular endocrinology, Mar-25, Volume: 384, Issue: 1-2		2014
Bile acids increase alveolar epithelial permeability via mitogen-activated protein kinase, cytosolic phospholipase A2 , cyclooxygenase-2, prostaglandin E2 and junctional proteins.
Respirology (Carlton, Vic.), Volume: 18, Issue: 5		2013
Chenodeoxycholic acid reduces intestinal permeability in newly weaned piglets.
Journal of animal science, Volume: 90 Suppl 4		2012
The UDCA dosage deficit: a fate shared with CDCA.
European journal of gastroenterology & hepatology, Volume: 14, Issue: 3		2002
Enzyme immunoassay for conjugated 7alpha-hydroxy-3-oxo-4-cholenoic acid in human urine.
Journal of immunoassay & immunochemistry, Volume: 22, Issue: 1		2001
Ursodeoxycholic acid administration in patients with cholestasis of pregnancy: effects on primary bile acids in babies and mothers.
Hepatology (Baltimore, Md.), Volume: 33, Issue: 3		2001
Comparison of the effects of bile acids on cell viability and DNA synthesis by rat hepatocytes in primary culture.
Biochimica et biophysica acta, Feb-21, Volume: 1500, Issue: 2		2000
The sensitivity of the lactulose/rhamnose gut permeability test.
European journal of clinical investigation, Volume: 29, Issue: 2		1999
Clinical pharmacokinetics of therapeutic bile acids.
Clinical pharmacokinetics, Volume: 30, Issue: 5		1996
Intestinal absorption of bile acids in the rabbit: different transport rates in jejunum and ileum.
Gastroenterology, Volume: 110, Issue: 2		1996
Protective action of putrescine against rat liver injury.
Scandinavian journal of gastroenterology, Volume: 29, Issue: 2		1994
Ursodeoxycholate protects oxidative mitochondrial metabolism from bile acid toxicity: dose-response study in isolated rat liver mitochondria.
Hepatology (Baltimore, Md.), Volume: 20, Issue: 6		1994
The effect of chenodeoxycholic acid on the development of aberrant crypt foci in the rat colon.
Cancer letters, Jan-30, Volume: 76, Issue: 2-3		1994
Dose-related effects of chenodeoxycholic acid in the rabbit colon.
Digestive diseases and sciences, Volume: 25, Issue: 6		1980
Effect of chenodiol on the small intestine. Unimpaired structure and function during therapy for gallstone dissolution.
JAMA, Dec-04, Volume: 246, Issue: 22		1981
[Internist therapy of cholelithiasis].
Fortschritte der Medizin, May-28, Volume: 99, Issue: 20		1981
Clinical studies on cheno- and ursodeoxycholic acid treatment for gallstone dissolution.
Hepato-gastroenterology, Volume: 27, Issue: 1		1980
Changes of bile acid and lipid composition in blood and bile in the clinical course after the initiation of cheno- and ursodeoxycholic acid therapy in patients with cholesterol gallstones.
The Tokai journal of experimental and clinical medicine, Volume: 7, Issue: 6		1982
Retrospective comparison of 'Cheno' and 'Urso' in the medical treatment of gallstones.
Gut, Volume: 23, Issue: 5		1982
Differing effects of ursodeoxycholic or chenodeoxycholic acid on biliary cholesterol saturation and bile acid metabolism in man. A dose-response study.
Digestive diseases and sciences, Volume: 27, Issue: 2		1982
Medical therapy for gallstones. 2. Initiation and monitoring.
Postgraduate medicine, Volume: 71, Issue: 5		1982
[Treatment of cholesterol gallstones with ursodesoxycholic acid (author's transl)].
La Nouvelle presse medicale, Feb-20, Volume: 11, Issue: 8		1982
Chenodeoxycholic acid: a review of its pharmacological properties and therapeutic use.
Drugs, Volume: 21, Issue: 2		1981
Effect of chenodeoxycholic acid on liver structure and function in man: a stereological and biochemical study.
Digestion, Volume: 20, Issue: 1		1980
Chenodeoxycholic acid administration monitored by serum bile acid profiles: a dose-response study.
Annals of clinical biochemistry, Volume: 20 (Pt 6)		1983
Management of gallstones. The new option of bile acid therapy.
Postgraduate medicine, Volume: 74, Issue: 5		1983
Comparison of a monitored dose with a standard dose of chenodeoxycholic acid for gallstone dissolution.
Digestion, Volume: 30, Issue: 4		1984
Ursodeoxycholic acid treatment of gallstones.
Seminars in liver disease, Volume: 3, Issue: 2		1983
Drug and treatment efficacy of chenodeoxycholic acid in 97 patients with cholelithiasis and increased surgical risk.
Digestive diseases and sciences, Volume: 28, Issue: 6		1983
Effect of oral chenodeoxycholic acid on bile acid kinetics and biliary lipid composition in women with cholelithiasis.
The Journal of clinical investigation, Volume: 52, Issue: 11		1973
Metabolism of lithocholic and chenodeoxycholic acids in the squirrel monkey.
Gastroenterology, Volume: 89, Issue: 3		1985
Mass spectrometry identification of biliary bile acids in bile from patients with gallstones before and during treatment with chenodeoxycholic acid. An ancillary study of the National Cooperative Gallstone Study.
The Journal of laboratory and clinical medicine, Volume: 105, Issue: 4		1985
Changes in electrical potential difference of rectal mucosa and of gallbladder bile constituents of dogs fed chenodeoxycholic acid.
Canadian journal of physiology and pharmacology, Volume: 64, Issue: 8		1986
Determination of chenodiol bioequivalence using an immobilized multi-enzyme bioluminescence technique.
Journal of pharmaceutical sciences, Volume: 75, Issue: 3		1986
Chenodeoxycholic acid therapy in erythrohepatic protoporphyria.
Journal of hepatology, Volume: 3, Issue: 3		1986
Medical management of cholesterol gallstones.
Drug intelligence & clinical pharmacy, Volume: 20, Issue: 2		1986
Effect of 17alpha-ethinylestradiol on biliary excretion of bile acids.
Biochimica et biophysica acta, Jul-14, Volume: 399, Issue: 1		1975
[Conjugation of chenodeoxycholic acid and cholic acid during passage through liver].
Schweizerische medizinische Wochenschrift, Mar-29, Volume: 105, Issue: 13		1975
Metabolism of chenodeoxycholic acid in hamsters.
Lipids, Volume: 11, Issue: 12		1976
[Summary of work session 3: Drug-induced dissolution of gallstones].
Zeitschrift fur Gastroenterologie, Volume: 14 Suppl		1976
[Morphologic investigations on the toxicity of orally applied CDCA in the liver, gastro intestinal tract, kidney and adrenal gland of the rat (author's transl)].
Research in experimental medicine. Zeitschrift fur die gesamte experimentelle Medizin einschliesslich experimenteller Chirurgie, Aug-16, Volume: 171, Issue: 1		1977
Effects of anionic surfactants on hamster small intestinal membrane structure and function: relationship to surface activity.
Gastroenterology, Volume: 73, Issue: 3		1977
Effect of varying doses of chenodeoxycholic acid on bile lipid and biliary bile acid composition in gallstone patients: a dose-response study.
The American journal of digestive diseases, Volume: 22, Issue: 1		1977
[Morphologic, animal experimental study on the question of sex specific liver lesions due to chenodesoxycholic acid].
Zeitschrift fur Gastroenterologie, Volume: 15, Issue: 1		1977
Changes in biliary lipid and biliary bile acid composition in patients after administration of ursodeoxycholic acid.
Journal of lipid research, Volume: 19, Issue: 6		1978
Chenotherapy for gallstone dissolution. II. Induced changes in bile composition and gallstone response.
JAMA, Mar-20, Volume: 239, Issue: 12		1978
[The influence of chenodeoxycholic acid and ursodeoxycholic acid on the hepatic structure of the rat (author's transl)].
Zeitschrift fur Gastroenterologie, Volume: 17, Issue: 4		1979
Influence of chenodeoxycholic acid on serum triglycerides in patients with primary hypertriglyceridemia.
International journal of clinical pharmacology and biopharmacy, Volume: 16, Issue: 11		1978
Chenotherapy for gallstone dissolution. I. Efficacy and safety.
JAMA, Mar-13, Volume: 239, Issue: 11		1978
Comparison of fixed doses of chenodeoxycholic acid for gallstone dissolution.
Lancet (London, England), May-27, Volume: 1, Issue: 8074		1978
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Interactions (8)

ArticleYear
CYP1A2 Downregulation by Obeticholic Acid: Usefulness as a Positive Control for the In Vitro Evaluation of Drug-Drug Interactions.
Journal of pharmaceutical sciences, Volume: 108, Issue: 12		2019
Rapid analysis of the Tanreqing injection by near-infrared spectroscopy combined with least squares support vector machine and Gaussian process modeling techniques.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, Jul-05, Volume: 218		2019
Investigation of Glycochenodeoxycholate Sulfate and Chenodeoxycholate Glucuronide as Surrogate Endogenous Probes for Drug Interaction Studies of OATP1B1 and OATP1B3 in Healthy Japanese Volunteers.
Pharmaceutical research, Volume: 34, Issue: 8		2017
Comparison on Response and Dissolution Rates Between Ursodeoxycholic Acid Alone or in Combination With Chenodeoxycholic Acid for Gallstone Dissolution According to Stone Density on CT Scan: Strobe Compliant Observation Study.
Medicine, Volume: 94, Issue: 50		2015
Probiotics decreased the bioavailability of the bile acid analog, monoketocholic acid, when coadministered with gliclazide, in healthy but not diabetic rats.
European journal of drug metabolism and pharmacokinetics, Volume: 37, Issue: 2		2012
Efficacy on anaplastic thyroid carcinoma of valproic acid alone or in combination with doxorubicin, a synthetic chenodeoxycholic acid derivative, or lactacystin.
International journal of oncology, Volume: 34, Issue: 5		2009
Prediction and identification of drug interactions with the human ATP-binding cassette transporter multidrug-resistance associated protein 2 (MRP2; ABCC2).
Journal of medicinal chemistry, Jun-12, Volume: 51, Issue: 11		2008
[Effect of proteolytic enzymes and bile salts combined with EDTA 4Na on the dissolution of calcium bilirubinate gallstones].
Nihon Geka Gakkai zasshi, Volume: 88, Issue: 1		1987
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]