3-hydroxyacetanilide profile

metacetamol : A derivative of phenol which has an acetamido substituent located meta to the phenolic -OH group. It is a non-toxic regioisomer of paracetamol with analgesic properties, but has never been marketed as a drug. [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]

ID Source	ID
PubMed CID	12124
CHEMBL ID	9419
CHEBI ID	76987
SCHEMBL ID	181254
MeSH ID	M0086169

Synonym
AKOS000442198
EN300-15588
BRD-K16474819-001-02-1
pedituss
bs 479
3'-hydroxyacetanilide
nsc3990
3-acetamidophenol
metacetamol
pyrapap
acetanilide, 3'-hydroxy-
3-(acetylamino)-1-hydroxybenzene
m-acetamidophenol
acetamide, n-(3-hydroxyphenyl)-
3-(acetylamino)phenol
nsc-3990
bs 749
m-(acetylamino)phenol
m-hydroxyacetanilide
rystal
metalid
n-acetyl-m-aminophenol
621-42-1
DIVK1C_006871
n-(3-hydroxyphenyl)acetamide
inchi=1/c8h9no2/c1-6(10)9-7-3-2-4-8(11)5-7/h2-5,11h,1h3,(h,9,10
SPECTRUM_000976
SPECTRUM5_000701
BSPBIO_002824
NCGC00091423-01
metacetamolo [dcit]
acetyl-2-aminophenol
metacetamolum [inn-latin]
einecs 210-687-0
ccris 4567
brn 0907998
3-hydroxyacetanilide
nsc 3990
metacetamol [inn:ban]
ai3-01929
3-acetamidophenol, 97%
NCGC00091423-02
NCGC00091423-03
KBIO2_004024
KBIO2_006592
KBIO2_001456
KBIOGR_000352
KBIO3_002324
KBIOSS_001456
KBIO1_001815
SPECTRUM2_000517
SPBIO_000473
SPECTRUM4_000086
SPECPLUS_000775
SPECTRUM3_001262
SPECTRUM211175
MLS000881183
NCGC00091423-04
MLS001065601
smr000568485
bdbm50088436
MLS000881135
m-acetaminophenol
CHEMBL9419
chebi:76987 ,
bs-749
H0188
HMS1923M09
A833608
NCGC00091423-06
NCGC00091423-05
STK949035
NCGC00257806-01
tox21_200252
pharmakon1600-00211175
nsc755827
nsc-755827
dtxsid3022089 ,
dtxcid202089
tox21_111130
cas-621-42-1
CCG-39594
F3385-6275
metacetamolum
v942zcn81h ,
metacetamolo
unii-v942zcn81h
FT-0614857
PS-4520
AB00216
metacetamol [inn]
SCHEMBL181254
tox21_111130_1
NCGC00091423-08
3-acetylaminophenol
n-(3-hydroxy-phenyl)-acetamide
3-acetamido phenol
STR00900
AB00053402_07
mfcd00002263
sr-01000864571
SR-01000864571-2
3-acetamidophenol, analytical standard
3-acetamidophenol, technical, >=98.0% (hplc)
SBI-0052664.P002
Z31717082
Q27146503
AMY2750
metacetamol;3'-hydroxyacetanilide
n-(3-hydroxyphenyl)acetamide (3-acetamidophenol)
?3-acetamidophenol
CS-0013071

Role	Description
non-narcotic analgesic	A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
[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]

Class	Description
acetamides	Compounds with the general formula RNHC(=O)CH3.
phenols	Organic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring.
[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]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
glp-1 receptor, partial	Homo sapiens (human)	Potency	11.2202	0.0184	6.8060	14.1254	AID624417
GLS protein	Homo sapiens (human)	Potency	10.0663	0.3548	7.9355	39.8107	AID624170
TDP1 protein	Homo sapiens (human)	Potency	6.5131	0.0008	11.3822	44.6684	AID686978
AR protein	Homo sapiens (human)	Potency	25.9358	0.0002	21.2231	8,912.5098	AID1259243; AID1259381; AID743035; AID743036; AID743040; AID743053
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	39.8107	0.0112	12.4002	100.0000	AID1030
estrogen receptor 2 (ER beta)	Homo sapiens (human)	Potency	18.8336	0.0006	57.9133	22,387.1992	AID1259377
progesterone receptor	Homo sapiens (human)	Potency	24.2128	0.0004	17.9460	75.1148	AID1346784
estrogen-related nuclear receptor alpha	Homo sapiens (human)	Potency	0.0384	0.0015	30.6073	15,848.9004	AID1259401
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	23.2593	0.0002	29.3054	16,493.5996	AID1259244; AID743075; AID743079
67.9K protein	Vaccinia virus	Potency	12.5893	0.0001	8.4406	100.0000	AID720580
peroxisome proliferator activated receptor gamma	Homo sapiens (human)	Potency	70.7946	0.0010	19.4141	70.9645	AID588537
heat shock 70kDa protein 5 (glucose-regulated protein, 78kDa)	Homo sapiens (human)	Potency	10.0000	0.0165	25.3078	41.3999	AID602332
chromobox protein homolog 1	Homo sapiens (human)	Potency	100.0000	0.0060	26.1688	89.1251	AID540317
geminin	Homo sapiens (human)	Potency	1.4581	0.0046	11.3741	33.4983	AID624296
Voltage-dependent calcium channel gamma-2 subunit	Mus musculus (house mouse)	Potency	54.2058	0.0015	57.7890	15,848.9004	AID1259244
Glutamate receptor 2	Rattus norvegicus (Norway rat)	Potency	54.2058	0.0015	51.7393	15,848.9004	AID1259244
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Cytochrome P450 1A2	Homo sapiens (human)	IC50 (µMol)	2.0000	0.0001	1.7740	10.0000	AID625245
Cytochrome P450 2E1	Homo sapiens (human)	Ki	9,500.0000	9.9800	9.9800	9.9800	AID1211494
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
L-lactate dehydrogenase B chain	Sus scrofa (pig)	Km	94.4286	7.0000	7.0000	7.0000	AID1413941; AID1413942; AID1413943; AID1413944; AID1413945; AID1413953; AID1413954
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
steroid catabolic process	Cytochrome P450 1A2	Homo sapiens (human)
porphyrin-containing compound metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
cholesterol metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
estrogen metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
toxin biosynthetic process	Cytochrome P450 1A2	Homo sapiens (human)
post-embryonic development	Cytochrome P450 1A2	Homo sapiens (human)
alkaloid metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
regulation of gene expression	Cytochrome P450 1A2	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
dibenzo-p-dioxin metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 1A2	Homo sapiens (human)
lung development	Cytochrome P450 1A2	Homo sapiens (human)
methylation	Cytochrome P450 1A2	Homo sapiens (human)
monocarboxylic acid metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
xenobiotic catabolic process	Cytochrome P450 1A2	Homo sapiens (human)
retinol metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 1A2	Homo sapiens (human)
cellular respiration	Cytochrome P450 1A2	Homo sapiens (human)
aflatoxin metabolic process	Cytochrome P450 1A2	Homo sapiens (human)
hydrogen peroxide biosynthetic process	Cytochrome P450 1A2	Homo sapiens (human)
oxidative demethylation	Cytochrome P450 1A2	Homo sapiens (human)
cellular response to cadmium ion	Cytochrome P450 1A2	Homo sapiens (human)
omega-hydroxylase P450 pathway	Cytochrome P450 1A2	Homo sapiens (human)
long-chain fatty acid metabolic process	Cytochrome P450 2E1	Homo sapiens (human)
lipid hydroxylation	Cytochrome P450 2E1	Homo sapiens (human)
xenobiotic metabolic process	Cytochrome P450 2E1	Homo sapiens (human)
steroid metabolic process	Cytochrome P450 2E1	Homo sapiens (human)
response to bacterium	Cytochrome P450 2E1	Homo sapiens (human)
monoterpenoid metabolic process	Cytochrome P450 2E1	Homo sapiens (human)
carbon tetrachloride metabolic process	Cytochrome P450 2E1	Homo sapiens (human)
benzene metabolic process	Cytochrome P450 2E1	Homo sapiens (human)
4-nitrophenol metabolic process	Cytochrome P450 2E1	Homo sapiens (human)
halogenated hydrocarbon metabolic process	Cytochrome P450 2E1	Homo sapiens (human)
long-chain fatty acid biosynthetic process	Cytochrome P450 2E1	Homo sapiens (human)
epoxygenase P450 pathway	Cytochrome P450 2E1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
monooxygenase activity	Cytochrome P450 1A2	Homo sapiens (human)
iron ion binding	Cytochrome P450 1A2	Homo sapiens (human)
protein binding	Cytochrome P450 1A2	Homo sapiens (human)
electron transfer activity	Cytochrome P450 1A2	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 1A2	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	Cytochrome P450 1A2	Homo sapiens (human)
enzyme binding	Cytochrome P450 1A2	Homo sapiens (human)
heme binding	Cytochrome P450 1A2	Homo sapiens (human)
demethylase activity	Cytochrome P450 1A2	Homo sapiens (human)
caffeine oxidase activity	Cytochrome P450 1A2	Homo sapiens (human)
aromatase activity	Cytochrome P450 1A2	Homo sapiens (human)
estrogen 16-alpha-hydroxylase activity	Cytochrome P450 1A2	Homo sapiens (human)
estrogen 2-hydroxylase activity	Cytochrome P450 1A2	Homo sapiens (human)
hydroperoxy icosatetraenoate dehydratase activity	Cytochrome P450 1A2	Homo sapiens (human)
monooxygenase activity	Cytochrome P450 2E1	Homo sapiens (human)
iron ion binding	Cytochrome P450 2E1	Homo sapiens (human)
oxidoreductase activity	Cytochrome P450 2E1	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen	Cytochrome P450 2E1	Homo sapiens (human)
4-nitrophenol 2-monooxygenase activity	Cytochrome P450 2E1	Homo sapiens (human)
oxygen binding	Cytochrome P450 2E1	Homo sapiens (human)
enzyme binding	Cytochrome P450 2E1	Homo sapiens (human)
heme binding	Cytochrome P450 2E1	Homo sapiens (human)
Hsp70 protein binding	Cytochrome P450 2E1	Homo sapiens (human)
Hsp90 protein binding	Cytochrome P450 2E1	Homo sapiens (human)
aromatase activity	Cytochrome P450 2E1	Homo sapiens (human)
long-chain fatty acid omega-1 hydroxylase activity	Cytochrome P450 2E1	Homo sapiens (human)
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen	Cytochrome P450 2E1	Homo sapiens (human)
arachidonic acid epoxygenase activity	Cytochrome P450 2E1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
endoplasmic reticulum membrane	Cytochrome P450 1A2	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 1A2	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 1A2	Homo sapiens (human)
mitochondrial inner membrane	Cytochrome P450 2E1	Homo sapiens (human)
endoplasmic reticulum membrane	Cytochrome P450 2E1	Homo sapiens (human)
cytoplasm	Cytochrome P450 2E1	Homo sapiens (human)
intracellular membrane-bounded organelle	Cytochrome P450 2E1	Homo sapiens (human)
plasma membrane	Glutamate receptor 2	Rattus norvegicus (Norway rat)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (88)

Assay ID	Title	Year	Journal	Article
AID1211493	Inhibition of human CYP2E1-mediated chlorzoxazone hydroxylase activity at 2.5 to 40 mM after 72 hrs by LC-MS/MS analysis in presence of 1 mM NADPH	2012	Drug metabolism and disposition: the biological fate of chemicals, Aug, Volume: 40, Issue:8	Covalent modification and time-dependent inhibition of human CYP2E1 by the meta-isomer of acetaminophen.
AID1413945	Mixed inhibition of porcine heart LDH assessed as apparent Km for substrate at 300 uM using pyruvate as substrate and NADH as cofactor measured after 2 hrs by Michaelis-Menten plot analysis (Rvb = 73 +/- 10 uM)	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Small molecule cores demonstrate non-competitive inhibition of lactate dehydrogenase.
AID69276	Antiviral activity was evaluated in vitro against human poliovirus as inhibition zone in agar-diffusion plaque-inhibition test	1980	Journal of medicinal chemistry, Sep, Volume: 23, Issue:9	Structure-activity relationship of diphenylthiourea antivirals.
AID977602	Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID1413955	Non-competitive inhibition of porcine heart LDH using varying levels of pyruvate as substrate and NADH as cofactor measured after 2 hrs by double reciprocal lineweaver-burk plot analysis	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Small molecule cores demonstrate non-competitive inhibition of lactate dehydrogenase.
AID1413942	Mixed inhibition of porcine heart LDH assessed as apparent Km for substrate at 25 uM using pyruvate as substrate and NADH as cofactor measured after 2 hrs by Michaelis-Menten plot analysis (Rvb = 73 +/- 10 uM)	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Small molecule cores demonstrate non-competitive inhibition of lactate dehydrogenase.
AID1211495	Inhibition of human CYP2E1 assessed as chlorzoxazone 6-hydroxylase activity at 2.5 mM after 72 hrs preincubation by HPLC analysis (RVb = 100%)	2012	Drug metabolism and disposition: the biological fate of chemicals, Aug, Volume: 40, Issue:8	Covalent modification and time-dependent inhibition of human CYP2E1 by the meta-isomer of acetaminophen.
AID1413960	Inhibition of oxamate binding to porcine heart LDH assessed as emission maximum at 1000 uM using pyruvate as substrate and NADH as cofactor measured after 2 hrs by fluorescence spectra analysis (Rvb = 452.9 +/- 0.3 nanometer)	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Small molecule cores demonstrate non-competitive inhibition of lactate dehydrogenase.
AID1413939	Inhibition of porcine heart LDH using pyruvate as substrate and NADH as cofactor measured after 2 hrs by stopped-flow spectrometric method	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Small molecule cores demonstrate non-competitive inhibition of lactate dehydrogenase.
AID1413949	Mixed inhibition of porcine heart LDH assessed as substrate Kcat at 100 uM using pyruvate as substrate and NADH as cofactor measured after 2 hrs by Michaelis-Menten plot analysis (Rvb = 232 +/- 13 /sec)	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Small molecule cores demonstrate non-competitive inhibition of lactate dehydrogenase.
AID1413944	Mixed inhibition of porcine heart LDH assessed as apparent Km for substrate at 100 uM using pyruvate as substrate and NADH as cofactor measured after 2 hrs by Michaelis-Menten plot analysis (Rvb = 73 +/- 10 uM)	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Small molecule cores demonstrate non-competitive inhibition of lactate dehydrogenase.
AID588210	Human drug-induced liver injury (DILI) modelling dataset from Ekins et al	2010	Drug 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.
AID1413953	Non-competitive inhibition of porcine heart LDH assessed as apparent Km for cofactor at 50 uM using pyruvate as substrate and NADH as cofactor measured after 2 hrs by Michaelis-Menten plot analysis (Rvb = 8 +/- 2 uM)	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Small molecule cores demonstrate non-competitive inhibition of lactate dehydrogenase.
AID1413941	Mixed inhibition of porcine heart LDH assessed as apparent Km for substrate at 10 uM using pyruvate as substrate and NADH as cofactor measured after 2 hrs by Michaelis-Menten plot analysis (Rvb = 73 +/- 10 uM)	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Small molecule cores demonstrate non-competitive inhibition of lactate dehydrogenase.
AID977599	Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	2013	Molecular pharmacology, Jun, Volume: 83, Issue:6	Structure-based identification of OATP1B1/3 inhibitors.
AID1211494	Inhibition of human CYP2E1 assessed as chlorzoxazone 6-hydroxylase activity by HPLC analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Aug, Volume: 40, Issue:8	Covalent modification and time-dependent inhibition of human CYP2E1 by the meta-isomer of acetaminophen.
AID1413952	Non-competitive inhibition of porcine heart LDH assessed as Kcat for cofactor at 300 uM using pyruvate as substrate and NADH as cofactor measured after 2 hrs by Michaelis-Menten plot analysis (Rvb = 221 +/- 10 /sec)	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Small molecule cores demonstrate non-competitive inhibition of lactate dehydrogenase.
AID1413947	Mixed inhibition of porcine heart LDH assessed as substrate Kcat at 25 uM using pyruvate as substrate and NADH as cofactor measured after 2 hrs by Michaelis-Menten plot analysis (Rvb = 232 +/- 13 /sec)	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Small molecule cores demonstrate non-competitive inhibition of lactate dehydrogenase.
AID71863	Antiviral activity was evaluated in vitro against human poliovirus as antiviral affect in agar-diffusion plaque-inhibition test (- => inhibition, diameter < = 5 mm)	1980	Journal of medicinal chemistry, Sep, Volume: 23, Issue:9	Structure-activity relationship of diphenylthiourea antivirals.
AID1211498	Inhibition of human CYP2E1 assessed as chlorzoxazone 6-hydroxylase activity at 20 mM after 72 hrs preincubation by HPLC analysis in presence of 1 mM NADPH (RVb = 100%)	2012	Drug metabolism and disposition: the biological fate of chemicals, Aug, Volume: 40, Issue:8	Covalent modification and time-dependent inhibition of human CYP2E1 by the meta-isomer of acetaminophen.
AID1413954	Non-competitive inhibition of porcine heart LDH assessed as apparent Km for cofactor at 300 uM using pyruvate as substrate and NADH as cofactor measured after 2 hrs by Michaelis-Menten plot analysis (Rvb = 8 +/- 2 uM)	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Small molecule cores demonstrate non-competitive inhibition of lactate dehydrogenase.
AID71868	Antiviral activity was evaluated in vitro against human poliovirus as toxicity zone in agar-diffusion plaque-inhibition test	1980	Journal of medicinal chemistry, Sep, Volume: 23, Issue:9	Structure-activity relationship of diphenylthiourea antivirals.
AID1413940	Binding affinity to porcine heart LDH at 2.14 mM measured every 2 mins for 10 mins by dynamic light scattering analysis	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Small molecule cores demonstrate non-competitive inhibition of lactate dehydrogenase.
AID1413948	Mixed inhibition of porcine heart LDH assessed as substrate Kcat at 50 uM using pyruvate as substrate and NADH as cofactor measured after 2 hrs by Michaelis-Menten plot analysis (Rvb = 232 +/- 13 /sec)	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Small molecule cores demonstrate non-competitive inhibition of lactate dehydrogenase.
AID282833	Activity against caspase-mediated apoptosis in mouse L1210 cells at 0.1 mM	2005	Journal of medicinal chemistry, Nov-17, Volume: 48, Issue:23	Cellular apoptosis and cytotoxicity of phenolic compounds: a quantitative structure-activity relationship study.
AID1211497	Inhibition of human CYP2E1 assessed as chlorzoxazone 6-hydroxylase activity at 40 mM after 72 hrs preincubation by HPLC analysis (RVb = 100%)	2012	Drug metabolism and disposition: the biological fate of chemicals, Aug, Volume: 40, Issue:8	Covalent modification and time-dependent inhibition of human CYP2E1 by the meta-isomer of acetaminophen.
AID1211492	Inhibition of human CYP2E1-mediated chlorzoxazone hydroxylase activity at 2.5 to 40 mM by LC-MS/MS analysis	2012	Drug metabolism and disposition: the biological fate of chemicals, Aug, Volume: 40, Issue:8	Covalent modification and time-dependent inhibition of human CYP2E1 by the meta-isomer of acetaminophen.
AID1211499	Inhibition of human CYP2E1 assessed as chlorzoxazone 6-hydroxylase activity at 20 mM after 72 hrs preincubation by HPLC analysis in presence of 1 mM NADPH and 5 mM glutathione (RVb = 100%)	2012	Drug metabolism and disposition: the biological fate of chemicals, Aug, Volume: 40, Issue:8	Covalent modification and time-dependent inhibition of human CYP2E1 by the meta-isomer of acetaminophen.
AID1413946	Mixed inhibition of porcine heart LDH assessed as substrate Kcat at 10 uM using pyruvate as substrate and NADH as cofactor measured after 2 hrs by Michaelis-Menten plot analysis (Rvb = 232 +/- 13 /sec)	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Small molecule cores demonstrate non-competitive inhibition of lactate dehydrogenase.
AID1413943	Mixed inhibition of porcine heart LDH assessed as apparent Km for substrate at 50 uM using pyruvate as substrate and NADH as cofactor measured after 2 hrs by Michaelis-Menten plot analysis (Rvb = 73 +/- 10 uM)	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Small molecule cores demonstrate non-competitive inhibition of lactate dehydrogenase.
AID588209	Literature-mined public compounds from Greene et al multi-species hepatotoxicity modelling dataset	2010	Chemical research in toxicology, Jul-19, Volume: 23, Issue:7	Developing structure-activity relationships for the prediction of hepatotoxicity.
AID1413956	Inhibition of porcine heart LDH assessed as enzymatic hydride transfer lifetime using pyruvate as substrate and NADH as cofactor measured after 2 hrs by stopped flow spectrometric analysis (Rvb = 3.73 +/- 0.0901 ms)	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Small molecule cores demonstrate non-competitive inhibition of lactate dehydrogenase.
AID1413962	Inhibition of oxamate binding to porcine heart LDH assessed as relative fluorescence intensity at 1000 uM using pyruvate as substrate and NADH as cofactor measured after 2 hrs by fluorescence spectra analysis (Rvb = 0.775 +/- 0.013 a.u.)	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Small molecule cores demonstrate non-competitive inhibition of lactate dehydrogenase.
AID1413951	Non-competitive inhibition of porcine heart LDH assessed as Kcat for cofactor at 50 uM using pyruvate as substrate and NADH as cofactor measured after 2 hrs by Michaelis-Menten plot analysis (Rvb = 221 +/- 10 /sec)	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Small molecule cores demonstrate non-competitive inhibition of lactate dehydrogenase.
AID1211500	Inhibition of human CYP2E1 assessed as chlorzoxazone 6-hydroxylase activity at 40 mM after 72 hrs preincubation by HPLC analysis in presence of 1 mM NADPH (RVb = 100%)	2012	Drug metabolism and disposition: the biological fate of chemicals, Aug, Volume: 40, Issue:8	Covalent modification and time-dependent inhibition of human CYP2E1 by the meta-isomer of acetaminophen.
AID282835	Cytotoxicity against mouse L1210 cells	2005	Journal of medicinal chemistry, Nov-17, Volume: 48, Issue:23	Cellular apoptosis and cytotoxicity of phenolic compounds: a quantitative structure-activity relationship study.
AID282834	Activity against caspase-mediated apoptosis in mouse L1210 cells	2005	Journal of medicinal chemistry, Nov-17, Volume: 48, Issue:23	Cellular apoptosis and cytotoxicity of phenolic compounds: a quantitative structure-activity relationship study.
AID1211496	Inhibition of human CYP2E1 assessed as chlorzoxazone 6-hydroxylase activity at 20 mM after 72 hrs preincubation by HPLC analysis (RVb = 100%)	2012	Drug metabolism and disposition: the biological fate of chemicals, Aug, Volume: 40, Issue:8	Covalent modification and time-dependent inhibition of human CYP2E1 by the meta-isomer of acetaminophen.
AID1413950	Mixed inhibition of porcine heart LDH assessed as substrate Kcat at 300 uM using pyruvate as substrate and NADH as cofactor measured after 2 hrs by Michaelis-Menten plot analysis (Rvb = 232 +/- 13 /sec)	2018	MedChemComm, Aug-01, Volume: 9, Issue:8	Small molecule cores demonstrate non-competitive inhibition of lactate dehydrogenase.
AID504749	qHTS profiling for inhibitors of Plasmodium falciparum proliferation	2011	Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043	Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. 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.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. 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.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. 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.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1347106	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347107	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347105	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347154	Primary screen GU AMC qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347100	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347097	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347407	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical Collection	2020	ACS 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.
AID1347424	RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347104	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347092	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347425	Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347093	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347091	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347102	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347089	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630	Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay	2021	Cell reports, 04-27, Volume: 35, Issue:4	A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347094	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1159607	Screen for inhibitors of RMI FANCM (MM2) intereaction	2016	Journal 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.
AID540299	A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis	2010	Bioorganic & 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.
AID588519	A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities	2011	Antiviral research, Sep, Volume: 91, Issue:3	High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID1159550	Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening	2015	Nature 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]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	9 (18.00)	18.7374
1990's	8 (16.00)	18.2507
2000's	6 (12.00)	29.6817
2010's	20 (40.00)	24.3611
2020's	7 (14.00)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	1 (1.79%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	55 (98.21%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Description	Relationhip Strength	Studies	Classes	Roles
3-aminophenol	[no description available]	medium	2	aminophenol
diphenylthiourea	[no description available]	medium	1	thioureas	allergen
n-phenyl-n'-3-hydroxyphenylthiourea	[no description available]	medium	1
thiourea	[no description available]	medium	1	one-carbon compound; thioureas; ureas	antioxidant; chromophore
4-hydroxybenzaldehyde	[no description available]	medium	1	hydroxybenzaldehyde	EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor; mouse metabolite; plant metabolite
catechol	[no description available]	medium	1	catechols	allelochemical; genotoxin; plant metabolite
2-cresol	[no description available]	medium	1	cresol	human xenobiotic metabolite
3-cresol	[no description available]	medium	1	cresol	human xenobiotic metabolite
guaiacol	[no description available]	medium	1	guaiacols	disinfectant; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; expectorant; plant metabolite
hydroquinone	[no description available]	medium	1	benzenediol; hydroquinones	antioxidant; carcinogenic agent; cofactor; Escherichia coli metabolite; human xenobiotic metabolite; mouse metabolite; skin lightening agent
4-nitrophenol	[no description available]	medium	1	4-nitrophenols	human xenobiotic metabolite; mouse metabolite
phenol	[no description available]	medium	1	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
4-nonylphenol	[no description available]	medium	1	phenols	environmental contaminant
acetaminophen	[no description available]	high	26	acetamides; 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
4-cresol	[no description available]	medium	1	cresol	Escherichia coli metabolite; human metabolite; uremic toxin
4-chlorophenol	[no description available]	medium	1	monochlorophenol
propofol	[no description available]	medium	3	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative
resorcinol	[no description available]	medium	1	benzenediol; phenolic donor; resorcinols	erythropoietin inhibitor; sensitiser
salicyl alcohol	[no description available]	medium	1	aromatic primary alcohol; hydroxybenzyl alcohol	human urinary metabolite
2-aminophenol	[no description available]	medium	1	aminophenol	bacterial metabolite
bisphenol a	[no description available]	medium	1	bisphenol	endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen
2-tert-butylphenol	[no description available]	medium	1	alkylbenzene
2,6-di-tert-butyl-4-hydroxymethylphenol	[no description available]	medium	1	alkylbenzene
2-isopropylphenol	[no description available]	medium	1	phenols
2-nitrophenol	[no description available]	medium	1	2-nitrophenols
2-ethylphenol	[no description available]	medium	1	phenols
pyrogallol 1,3-dimethyl ether	[no description available]	medium	1	dimethoxybenzene; phenols	plant metabolite
2-bromophenol	[no description available]	medium	3	bromophenol	marine metabolite
2-chlorophenol	[no description available]	medium	1	2-halophenol; monochlorophenol
2-amino-4-methylphenol	[no description available]	medium	1
2,4-di-tert-butylphenol	[no description available]	medium	1	alkylbenzene; phenols	antioxidant; bacterial metabolite; marine metabolite
butylphen	[no description available]	medium	1	phenols	allergen
3-dimethylaminophenol	[no description available]	medium	1
4-hydroxyacetophenone	[no description available]	medium	1	monohydroxyacetophenone	fungal metabolite; mouse metabolite; plant metabolite
2,4-dimethylphenol	[no description available]	medium	1	aromatic fungicide; phenols	disinfectant; volatile oil component
4-bromophenol	[no description available]	medium	3	bromophenol	human urinary metabolite; human xenobiotic metabolite; marine metabolite; mouse metabolite; persistent organic pollutant; rat metabolite
3-chlorophenol	[no description available]	medium	1	monochlorophenol
syringaldehyde	[no description available]	medium	1	dimethoxybenzene; hydroxybenzaldehyde	hypoglycemic agent; plant metabolite
3-hydroxyanisole	[no description available]	medium	1	monomethoxybenzene; phenols
mequinol	[no description available]	medium	1	methoxybenzenes; phenols	metabolite
2-fluorophenol	[no description available]	medium	1
4-fluorophenol	[no description available]	medium	1	fluorophenol; monofluorobenzenes
3-fluorophenol	[no description available]	medium	1
4-methylcatechol	[no description available]	medium	1	methylcatechol	antioxidant; carcinogenic agent; hapten; human metabolite; plant metabolite
topanol 354	[no description available]	medium	1	methoxybenzenes; phenols
2,4,6-trimethylphenol	[no description available]	medium	1	hydroxytoluene
2-iodophenol	[no description available]	medium	1	2-halophenol; iodophenol
4-iodophenol	[no description available]	medium	1	iodophenol
3-nitrophenol	[no description available]	medium	1	3-nitrophenols
2,6-xylenol	[no description available]	medium	1	hydroxytoluene
3-bromophenol	[no description available]	medium	1
2-cyanophenol	[no description available]	medium	1	benzenes; nitrile
3-ethylphenol	[no description available]	medium	1	phenols
4-Ethoxyphenol	[no description available]	medium	1	aromatic ether; phenols
2-propylphenol	[no description available]	medium	1	phenols	flavouring agent; plant metabolite
4-propylphenol	[no description available]	medium	1	alkylbenzene
2,4,6-tri-tert-butylphenol	[no description available]	medium	1
4-cyanophenol	[no description available]	medium	1	phenols	EC 1.4.3.4 (monoamine oxidase) inhibitor
4-phenoxyphenol	[no description available]	medium	1	phenoxyphenol
4-n-Butylphenol	[no description available]	medium	1	phenols
4-octylphenol	[no description available]	medium	1	phenols	metabolite; surfactant; xenoestrogen
2-tert-butyl-4-methylphenol	[no description available]	medium	1
acetosyringone	[no description available]	high	1	acetophenones; dimethoxybenzene; phenols	anti-asthmatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite
butylated hydroxyanisole	[no description available]	medium	1
4-n-Pentylphenol	[no description available]	medium	1	phenols
4-ethylphenol	[no description available]	medium	1	phenols	fungal xenobiotic metabolite
butylated hydroxytoluene	[no description available]	medium	3	phenols	antioxidant; ferroptosis inhibitor; food additive; geroprotector
2,6-di-tert-butylphenol	[no description available]	medium	1	alkylbenzene; phenols	antioxidant
4-hydroxybenzamide	[no description available]	medium	1
guaethol	[no description available]	medium	1	aromatic ether; phenols; volatile organic compound	flavouring agent
2,6-di-tert-butyl-4-nitrophenol	[no description available]	medium	1
3,5-di-tert-butyl-4-hydroxybenzaldehyde	[no description available]	medium	1	hydroxybenzaldehyde
equilenin	[no description available]	medium	1	17-oxo steroid; 3-hydroxy steroid	antioxidant; mammalian metabolite
diethylstilbestrol	[no description available]	medium	1	olefinic 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
2-amino-4-nitrophenol	[no description available]	medium	1	4-nitrophenols
sinapaldehyde	[no description available]	medium	1	cinnamaldehydes; dimethoxybenzene; phenols	antifungal agent; plant metabolite
ethylene dichloride	[no description available]	medium	2	chloroethanes	hepatotoxic agent; mutagen; non-polar solvent
ethylene glycol	[no description available]	medium	2	ethanediol; glycol	metabolite; mouse metabolite; solvent; toxin
aminocaproic acid	[no description available]	medium	2	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite
hexachlorocyclohexane	[no description available]	medium	2	chlorocyclohexane
inositol	[no description available]	medium	2	cyclitol; hexol
melatonin	[no description available]	medium	2	acetamides; tryptamines	anticonvulsant; central nervous system depressant; geroprotector; hormone; human metabolite; immunological adjuvant; mouse metabolite; radical scavenger
niacin	[no description available]	medium	2	pyridine 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
pyrazinamide	[no description available]	medium	2	monocarboxylic acid amide; N-acylammonia; pyrazines	antitubercular agent; prodrug
pyridoxine	[no description available]	medium	2	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
thiamine	[no description available]	medium	2	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
2,4-dinitrophenol	[no description available]	medium	2	dinitrophenol	allergen; antiseptic drug; bacterial xenobiotic metabolite; geroprotector; oxidative phosphorylation inhibitor
3-methylcholanthrene	[no description available]	medium	1	ortho- and peri-fused polycyclic arene	aryl hydrocarbon receptor agonist; carcinogenic agent
phenytoin	[no description available]	medium	2	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
tacrine	[no description available]	medium	2	acridines; aromatic amine	EC 3.1.1.7 (acetylcholinesterase) inhibitor
acetazolamide	[no description available]	medium	2	monocarboxylic acid amide; sulfonamide; thiadiazoles	anticonvulsant; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
acetohexamide	[no description available]	medium	2	acetophenones; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
albendazole	[no description available]	medium	2	aryl sulfide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	anthelminthic drug; microtubule-destabilising agent; tubulin modulator
aminoglutethimide	[no description available]	medium	2	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
theophylline	[no description available]	medium	2	dimethylxanthine	adenosine 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]	medium	2	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
amoxapine	[no description available]	medium	2	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor
astemizole	[no description available]	medium	2	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
atenolol	[no description available]	medium	2	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic
azathioprine	[no description available]	medium	2	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
benzbromarone	[no description available]	medium	2	1-benzofurans; aromatic ketone	uricosuric drug
bicalutamide	[no description available]	medium	2	(trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol
bithionol	[no description available]	medium	2	aryl sulfide; bridged diphenyl antifungal drug; bridged diphenyl fungicide; dichlorobenzene; organochlorine pesticide; polyphenol	antifungal agrochemical; antiplatyhelmintic drug
bumetanide	[no description available]	medium	2	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor
bupivacaine	[no description available]	medium	2	aromatic amide; piperidinecarboxamide; tertiary amino compound
buspirone	[no description available]	medium	2	azaspiro 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]	medium	2	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent
caffeine	[no description available]	medium	2	purine 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	[no description available]	medium	2	benzimidazolecarboxylic acid; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
carbamazepine	[no description available]	medium	3	dibenzoazepine; 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
chlorpromazine	[no description available]	medium	2	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
chlorpropamide	[no description available]	medium	2	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
chlorzoxazone	[no description available]	medium	2	1,3-benzoxazoles; heteroaryl hydroxy compound; organochlorine compound	muscle relaxant; sedative
ciclopirox	[no description available]	medium	2	cyclic hydroxamic acid; hydroxypyridone antifungal drug; pyridone	antibacterial agent; antiseborrheic
ciglitazone	[no description available]	medium	2	aromatic ether; thiazolidinone	antineoplastic agent; insulin-sensitizing drug
cimetidine	[no description available]	medium	2	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
ciprofibrate	[no description available]	medium	2	cyclopropanes; monocarboxylic acid; organochlorine compound	antilipemic drug
cisapride	[no description available]	medium	2	benzamides
citalopram	[no description available]	medium	2	2-benzofurans; cyclic ether; nitrile; organofluorine compound; tertiary amino compound
clofibrate	[no description available]	medium	2	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clomipramine	[no description available]	medium	2	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor
clotrimazole	[no description available]	medium	2	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
cromolyn	[no description available]	medium	2	chromones; dicarboxylic acid	anti-asthmatic drug; calcium channel blocker
dapsone	[no description available]	medium	2	substituted aniline; sulfone	anti-inflammatory drug; antiinfective agent; antimalarial; leprostatic drug
desipramine	[no description available]	medium	2	dibenzoazepine; 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
diclofenac	[no description available]	medium	2	amino 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
diethylcarbamazine	[no description available]	medium	2	N-carbamoylpiperazine; N-methylpiperazine
diflunisal	[no description available]	medium	2	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug
dimercaprol	[no description available]	medium	2	dithiol; primary alcohol	chelator
dipyridamole	[no description available]	medium	2	piperidines; pyrimidopyrimidine; tertiary amino compound; tetrol	adenosine phosphodiesterase inhibitor; EC 3.5.4.4 (adenosine deaminase) inhibitor; platelet aggregation inhibitor; vasodilator agent
valproic acid	[no description available]	medium	2	branched-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
donepezil	[no description available]	medium	2	aromatic ether; indanones; piperidines; racemate	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent
ethosuximide	[no description available]	medium	2	dicarboximide; pyrrolidinone	anticonvulsant; geroprotector; T-type calcium channel blocker
carbonyl cyanide p-trifluoromethoxyphenylhydrazone	[no description available]	medium	2	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore
felbamate	[no description available]	medium	2	carbamate ester	anticonvulsant; neuroprotective agent
fenofibrate	[no description available]	medium	2	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
fexofenadine	[no description available]	medium	2	piperidines; tertiary amine	anti-allergic agent; H1-receptor antagonist
fipexide	[no description available]	medium	2	benzodioxoles
fluconazole	[no description available]	medium	2	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
flucytosine	[no description available]	medium	2	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug
flufenamic acid	[no description available]	medium	2	aromatic amino acid; organofluorine compound	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flumazenil	[no description available]	medium	2	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist
fluorouracil	[no description available]	medium	2	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluoxetine	[no description available]	medium	2	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
flurbiprofen	[no description available]	medium	2	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fluspirilene	[no description available]	medium	2	diarylmethane
flutamide	[no description available]	medium	2	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent
foscarnet	[no description available]	medium	2	carboxylic acid; one-carbon compound; phosphonic acids	antiviral drug; geroprotector; HIV-1 reverse transcriptase inhibitor; sodium-dependent Pi-transporter inhibitor
furosemide	[no description available]	medium	2	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
gabapentin	[no description available]	medium	2	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic
gemfibrozil	[no description available]	medium	2	aromatic ether	antilipemic drug
glafenine	[no description available]	medium	2	aminoquinoline; carboxylic ester; glycol; organochlorine compound; secondary amino compound	inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
gliclazide	[no description available]	medium	2	N-sulfonylurea	hypoglycemic agent; insulin secretagogue; radical scavenger
glimepiride	[no description available]	medium	2	sulfonamide
glutethimide	[no description available]	medium	2	piperidines
hexachlorophene	[no description available]	medium	2	bridged diphenyl fungicide; polyphenol; trichlorobenzene	acaricide; antibacterial agent; antifungal agrochemical; antiseptic drug
hycanthone	[no description available]	medium	2	thioxanthenes	mutagen; schistosomicide drug
hydrochlorothiazide	[no description available]	medium	2	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
hydroxyurea	[no description available]	medium	2	one-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
ibuprofen	[no description available]	medium	2	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
phenelzine	[no description available]	medium	2	primary amine
lidocaine	[no description available]	medium	2	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
ifosfamide	[no description available]	medium	2	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic
amrinone	[no description available]	medium	2	bipyridines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indomethacin	[no description available]	medium	2	aromatic 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
iproniazid	[no description available]	medium	2	carbohydrazide; pyridines
avapro	[no description available]	medium	2	azaspiro compound; biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
isocarboxazid	[no description available]	medium	2	benzenes
isoniazid	[no description available]	medium	2	carbohydrazide	antitubercular agent; drug allergen
ketoconazole	[no description available]	medium	2	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
ketoprofen	[no description available]	medium	2	benzophenones; 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]	medium	2	cyclic ketone; olefinic compound; organic heterotricyclic compound; organosulfur heterocyclic compound; piperidines; tertiary amino compound	anti-asthmatic drug; H1-receptor antagonist
labetalol	[no description available]	medium	2	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound
leflunomide	[no description available]	medium	2	(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
losartan	[no description available]	medium	2	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
maprotiline	[no description available]	medium	2	anthracenes
mebendazole	[no description available]	medium	2	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
meclofenamate sodium anhydrous	[no description available]	medium	2	organic sodium salt
mefenamic acid	[no description available]	medium	2	aminobenzoic 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
memantine	[no description available]	medium	2	adamantanes; primary aliphatic amine	antidepressant; antiparkinson drug; dopaminergic agent; neuroprotective agent; NMDA receptor antagonist
vitamin k 3	[no description available]	medium	2	1,4-naphthoquinones; vitamin K	angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical
meprobamate	[no description available]	medium	2	organic molecular entity
metformin	[no description available]	medium	3	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
methapyrilene	[no description available]	medium	2	ethylenediamine derivative	anti-allergic agent; carcinogenic agent; H1-receptor antagonist; sedative
nocodazole	[no description available]	medium	2	aromatic ketone; benzimidazoles; carbamate ester; thiophenes	antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator
methylphenidate	[no description available]	medium	2	beta-amino acid ester; methyl ester; piperidines
metolazone	[no description available]	medium	2	organochlorine compound; quinazolines; sulfonamide	antihypertensive agent; diuretic; ion transport inhibitor
metronidazole	[no description available]	medium	2	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic
mianserin	[no description available]	medium	2	dibenzoazepine	adrenergic 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]	medium	2	dichlorobenzene; ether; imidazoles
nalidixic acid	[no description available]	medium	2	1,8-naphthyridine derivative; monocarboxylic acid; quinolone antibiotic	antibacterial drug; antimicrobial agent; DNA synthesis inhibitor
nefazodone	[no description available]	medium	2	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor
nifedipine	[no description available]	medium	2	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent
nimesulide	[no description available]	medium	2	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
nimodipine	[no description available]	medium	2	2-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]	medium	2	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester
nomifensine	[no description available]	medium	2	isoquinolines	dopamine uptake inhibitor
oxaprozin	[no description available]	medium	2	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug
oxibendazole	[no description available]	medium	2	benzimidazoles; carbamate ester
aminosalicylic acid	[no description available]	medium	2	aminobenzoic acid; phenols	antitubercular agent
pamidronate	[no description available]	medium	2	phosphonoacetic acid
4-dichlorobenzene	[no description available]	medium	2	dichlorobenzene	insecticide
pargyline	[no description available]	medium	2	aromatic amine
pemoline	[no description available]	medium	2	1,3-oxazoles	central nervous system stimulant
perhexiline	[no description available]	medium	2	piperidines	cardiovascular drug
phenacetin	[no description available]	high	2	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug
phenylbutazone	[no description available]	medium	2	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
pinacidil	[no description available]	medium	2	pyridines
pindolol	[no description available]	medium	2	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent
pioglitazone	[no description available]	medium	2	aromatic 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
praziquantel	[no description available]	medium	2	isoquinolines
primidone	[no description available]	medium	2	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic
probenecid	[no description available]	medium	2	benzoic acids; sulfonamide	uricosuric drug
probucol	[no description available]	medium	2	dithioketal; polyphenol	anti-inflammatory drug; anticholesteremic drug; antilipemic drug; antioxidant; cardiovascular drug
propranolol	[no description available]	medium	2	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
pyrimethamine	[no description available]	medium	2	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
raloxifene	[no description available]	medium	2	1-benzothiophenes; aromatic ketone; N-oxyethylpiperidine; phenols	bone density conservation agent; estrogen antagonist; estrogen receptor modulator
ranitidine	[no description available]	medium	2	aralkylamine
riluzole	[no description available]	medium	2	benzothiazoles
risperidone	[no description available]	medium	2	1,2-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
sulfabenzamide	[no description available]	medium	2	benzenes; sulfonamide antibiotic; sulfonamide	antibacterial drug; antimicrobial drug
sulfamethizole	[no description available]	medium	2	sulfonamide antibiotic; sulfonamide; thiadiazoles	antiinfective agent; antimicrobial agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor
sulfanilamide	[no description available]	medium	2	substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; drug allergen; EC 4.2.1.1 (carbonic anhydrase) inhibitor
sulfasalazine	[no description available]	medium	2
sulfinpyrazone	[no description available]	medium	2	pyrazolidines; sulfoxide	uricosuric drug
sumatriptan	[no description available]	medium	2	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent
gatifloxacin	[no description available]	medium	2	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
terfenadine	[no description available]	medium	2	diarylmethane
ticlopidine	[no description available]	medium	2	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
tolazamide	[no description available]	medium	2	N-sulfonylurea	hypoglycemic agent; potassium channel blocker
tolbutamide	[no description available]	medium	2	N-sulfonylurea	human metabolite; hypoglycemic agent; insulin secretagogue; potassium channel blocker
tolmetin	[no description available]	medium	2	aromatic ketone; monocarboxylic acid; pyrroles	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
trifluoperazine	[no description available]	medium	2	N-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
trimethadione	[no description available]	medium	2	oxazolidinone	anticonvulsant; geroprotector
trimethoprim	[no description available]	medium	2	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
troglitazone	[no description available]	medium	2	chromanes; 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
pirinixic acid	[no description available]	medium	1	aryl sulfide; organochlorine compound; pyrimidines
ici 204,219	[no description available]	medium	2	carbamate ester; indoles; N-sulfonylcarboxamide	anti-asthmatic agent; leukotriene antagonist
zolpidem	[no description available]	medium	2	imidazopyridine	central nervous system depressant; GABA agonist; sedative
zomepirac	[no description available]	medium	2	aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles	cardiovascular drug; non-steroidal anti-inflammatory drug
oxyphenonium	[no description available]	medium	2	acylcholine
cephaloridine	[no description available]	medium	2	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug
sorbitol	[no description available]	medium	2	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
floxuridine	[no description available]	medium	2	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent
isoproterenol hydrochloride	[no description available]	medium	2	catechols
spironolactone	[no description available]	medium	2	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic
prednisone	[no description available]	medium	2	11-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
estrone	[no description available]	medium	2	17-oxo steroid; 3-hydroxy steroid; phenolic steroid; phenols	antineoplastic agent; bone density conservation agent; estrogen; human metabolite; mouse metabolite
promazine hydrochloride	[no description available]	medium	2	hydrochloride
2-acetylaminofluorene	[no description available]	medium	3	2-acetamidofluorenes	antimitotic; carcinogenic agent; epitope; mutagen
idoxuridine	[no description available]	medium	2	organoiodine compound; pyrimidine 2'-deoxyribonucleoside	antiviral drug; DNA synthesis inhibitor
pilocarpine	[no description available]	medium	2	pilocarpine	antiglaucoma drug
triiodothyronine	[no description available]	medium	2	2-halophenol; amino acid zwitterion; iodophenol; iodothyronine	human metabolite; mouse metabolite; thyroid hormone
isonicotinic acid	[no description available]	medium	1	pyridinemonocarboxylic acid	algal metabolite; human metabolite
carbon tetrachloride	[no description available]	medium	2	chlorocarbon; chloromethanes	hepatotoxic agent; refrigerant
physostigmine	[no description available]	medium	2	carbamate ester; indole alkaloid	antidote to curare poisoning; EC 3.1.1.8 (cholinesterase) inhibitor; miotic
ethinyl estradiol	[no description available]	medium	2	17-hydroxy steroid; 3-hydroxy steroid; terminal acetylenic compound	xenoestrogen
promethazine hydrochloride	[no description available]	medium	2	hydrochloride	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; geroprotector; H1-receptor antagonist; local anaesthetic; sedative
levodopa	[no description available]	medium	2	amino 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
acetylcholine chloride	[no description available]	medium	2	quaternary ammonium salt
methoxamine hydrochloride	[no description available]	medium	2	dimethoxybenzene
dimethylnitrosamine	[no description available]	medium	2	nitrosamine	geroprotector; mutagen
lactose	[no description available]	medium	2	lactose
primaquine phosphate	[no description available]	medium	2
colchicine	[no description available]	medium	2	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
gallamine triethiodide	[no description available]	medium	2
uracil mustard	[no description available]	medium	2	aminouracil; nitrogen mustard
chloroform	[no description available]	medium	2	chloromethanes; one-carbon compound	carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant
dimethylformamide	[no description available]	medium	1	formamides; volatile organic compound	geroprotector; hepatotoxic agent; polar aprotic solvent
norethindrone	[no description available]	medium	2	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound; tertiary alcohol	progestin; synthetic oral contraceptive
medroxyprogesterone acetate	[no description available]	medium	2	20-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]	medium	2	17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound	prodrug; xenoestrogen
arginine	[no description available]	medium	2	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
tromethamine	[no description available]	medium	2	primary amino compound; triol	buffer
trichloroethylene	[no description available]	medium	2	chloroethenes	inhalation anaesthetic; mouse metabolite
cyclizine	[no description available]	medium	2	N-alkylpiperazine	antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic
rotenone	[no description available]	medium	2	organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; mitochondrial NADH:ubiquinone reductase inhibitor; phytogenic insecticide; piscicide; toxin
isosorbide dinitrate	[no description available]	medium	2	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent
hexachlorobutadiene	[no description available]	medium	1	organochlorine compound
phenothiazine	[no description available]	medium	2	phenothiazine	ferroptosis inhibitor; plant metabolite; radical scavenger
3-dinitrobenzene	[no description available]	medium	1	dinitrobenzene	neurotoxin
pyridostigmine bromide	[no description available]	medium	2	pyridinium salt
4,4'-diaminodiphenylmethane	[no description available]	medium	2	aromatic amine	allergen; carcinogenic agent
phenylisothiocyanate	[no description available]	medium	2	isothiocyanate	allergen; reagent
2-bromoethylamine	[no description available]	medium	2
allyl alcohol	[no description available]	medium	2	primary allylic alcohol; propenol	antibacterial agent; fungicide; herbicide; insecticide; plant metabolite
bromobenzene	[no description available]	medium	2	bromoarene; bromobenzenes; volatile organic compound	hepatotoxic agent; mouse metabolite; non-polar solvent
imipramine hydrochloride	[no description available]	medium	2	hydrochloride	antidepressant
mephobarbital	[no description available]	medium	2	barbiturates	anticonvulsant
edrophonium chloride	[no description available]	medium	2	chloride salt; quaternary ammonium salt	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
di-n-pentyl phthalate	[no description available]	medium	2	diester; phthalate ester	plasticiser
cinchophen	[no description available]	medium	2	quinolines
phenazopyridine hydrochloride	[no description available]	medium	2	hydrochloride	carcinogenic agent; local anaesthetic; non-narcotic analgesic
tetrracaine hydrochloride	[no description available]	medium	2	benzoate ester
diphenhydramine hydrochloride	[no description available]	medium	2	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative
tripelennamine hydrochloride	[no description available]	medium	2
ethynodiol diacetate	[no description available]	medium	2	steroid ester; terminal acetylenic compound	contraceptive drug; estrogen receptor modulator; synthetic oral contraceptive
hydrazine	[no description available]	medium	2	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
monocrotaline	[no description available]	medium	2	pyrrolizidine alkaloid
azacitidine	[no description available]	medium	2	N-glycosyl-1,3,5-triazine; nucleoside analogue	antineoplastic agent
pseudoephedrine hydrochloride	[no description available]	medium	2	hydrochloride	plant metabolite
procarbazine hydrochloride	[no description available]	medium	2	hydrochloride	antineoplastic agent
betamethasone	[no description available]	medium	2	11beta-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
cyproterone acetate	[no description available]	medium	2	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin
lithocholic acid	[no description available]	medium	2	bile acid; C24-steroid; monohydroxy-5beta-cholanic acid	geroprotector; human metabolite; mouse metabolite
chenodeoxycholic acid	[no description available]	medium	2	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
amitriptyline hydrochloride	[no description available]	medium	2	organic tricyclic compound
1-naphthylisothiocyanate	[no description available]	medium	2	isothiocyanate	insecticide
isoxsuprine hydrochloride	[no description available]	medium	2	alkylbenzene
betaine hydrochloride	[no description available]	medium	2
acetylcysteine	[no description available]	medium	3	acetylcysteine; 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
methoxyacetic acid	[no description available]	medium	2	ether; monocarboxylic acid	antineoplastic agent; apoptosis inducer; human xenobiotic metabolite; mutagen
erythromycin	[no description available]	medium	2	cyclic ketone; erythromycin
cyproheptadine hydrochloride (anhydrous)	[no description available]	medium	2	hydrochloride
vancomycin	[no description available]	medium	2	glycopeptide	antibacterial drug; antimicrobial agent; bacterial metabolite
pregnenolone carbonitrile	[no description available]	medium	1	aliphatic nitrile
ibufenac	[no description available]	medium	2	monocarboxylic acid	EC 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]	medium	1	polychlorinated dibenzodioxine
paraquat	[no description available]	medium	2	organic cation	geroprotector; herbicide
pimozide	[no description available]	medium	2	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
stavudine	[no description available]	medium	2	dihydrofuran; nucleoside analogue; organic molecular entity	antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
streptomycin	[no description available]	medium	2	antibiotic antifungal drug; antibiotic fungicide; streptomycins	antibacterial drug; antifungal agrochemical; antimicrobial agent; antimicrobial drug; bacterial metabolite; protein synthesis inhibitor
clonidine hydrochloride	[no description available]	medium	2	dichlorobenzene
cladribine	[no description available]	medium	2	organochlorine compound; purine 2'-deoxyribonucleoside	antineoplastic agent; immunosuppressive agent
ethylene dimethanesulfonate	[no description available]	medium	2
mexiletine hydrochloride	[no description available]	medium	2	hydrochloride	anti-arrhythmia drug
beclomethasone dipropionate	[no description available]	medium	2	11beta-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
vidarabine	[no description available]	medium	2	beta-D-arabinoside; purine nucleoside	antineoplastic agent; bacterial metabolite; nucleoside antibiotic
metoclopramide hydrochloride	[no description available]	medium	2
zalcitabine	[no description available]	medium	2	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
carbendazim	[no description available]	medium	2	benzimidazole fungicide; benzimidazoles; benzimidazolylcarbamate fungicide; carbamate ester	antifungal agrochemical; antinematodal drug; metabolite; microtubule-destabilising agent
ethionine	[no description available]	medium	2	S-ethylhomocysteine	antimetabolite; carcinogenic agent
danazol	[no description available]	medium	2	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector
disopyramide phosphate	[no description available]	medium	2	organoammonium phosphate
ursodeoxycholic acid	[no description available]	medium	2	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite
amoxicillin	[no description available]	medium	2	penicillin allergen; penicillin	antibacterial drug
moricizine hydrochloride	[no description available]	medium	2	hydrochloride	anti-arrhythmia drug
zidovudine	[no description available]	medium	2	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
pirprofen	[no description available]	medium	2	pyrroline
serentil	[no description available]	medium	2	organosulfonate salt	dopaminergic antagonist; first generation antipsychotic
tobramycin	[no description available]	medium	2	amino cyclitol glycoside	antibacterial agent; antimicrobial agent; toxin
paclitaxel	[no description available]	medium	2	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
etoposide	[no description available]	medium	2	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor
propafenone hydrochloride	[no description available]	medium	2	hydrochloride	anti-arrhythmia drug
ribavirin	[no description available]	medium	2	1-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
carbidopa	[no description available]	medium	2	catechols; 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]	medium	2	beta-lactam antibiotic allergen; cephalosporin	antibacterial drug
ticrynafen	[no description available]	medium	2	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes	antihypertensive agent; hepatotoxic agent; loop diuretic
methyldopa	[no description available]	medium	2	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent
bezafibrate	[no description available]	medium	2	aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
sq-11725	[no description available]	medium	2
nonachlazine	[no description available]	medium	1
benoxaprofen	[no description available]	medium	2	1,3-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
permethrin	[no description available]	medium	2	cyclopropanecarboxylate ester; cyclopropanes	agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide
flecainide acetate	[no description available]	medium	2	acetate salt	anti-arrhythmia drug
nicardipine hydrochloride	[no description available]	medium	2	dihydropyridine	geroprotector
epirubicin	[no description available]	medium	2	aminoglycoside; 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
indacrinone	[no description available]	medium	2
paroxetine	[no description available]	medium	2	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
captopril	[no description available]	medium	2	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
butoconazole nitrate	[no description available]	medium	2	aryl sulfide; conazole antifungal drug; imidazole antifungal drug; imidazoles; organic nitrate salt
cefadroxil anhydrous	[no description available]	medium	2	cephalosporin	antibacterial drug
fialuridine	[no description available]	medium	2
mitoxantrone hydrochloride	[no description available]	medium	2	hydrochloride	antineoplastic agent
cefotetan	[no description available]	medium	2
bambuterol	[no description available]	medium	2	carbamate ester; phenylethanolamines	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; prodrug; sympathomimetic agent; tocolytic agent
atomoxetine	[no description available]	medium	2	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic
quinapril	[no description available]	medium	2	dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
alpidem	[no description available]	medium	2	imidazoles
temafloxacin	[no description available]	medium	2	amino acid; monocarboxylic acid; N-arylpiperazine; organofluorine compound; quinolone antibiotic; quinolone; secondary amino compound; tertiary amino compound
clinafloxacin	[no description available]	medium	2	quinolines
zileuton	[no description available]	medium	2	1-benzothiophenes; ureas	anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug
mibefradil	[no description available]	medium	2	tetralins	T-type calcium channel blocker
bromfenac	[no description available]	medium	2	aromatic amino acid; benzophenones; organobromine compound; substituted aniline	non-narcotic analgesic; non-steroidal anti-inflammatory drug
lamivudine	[no description available]	medium	2	monothioacetal; 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
valsartan	[no description available]	medium	2	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
tasosartan	[no description available]	medium	2	biphenyls
saquinavir monomethanesulfonate	[no description available]	medium	2	organic molecular entity
adenosine	[no description available]	medium	2	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
allyl formate	[no description available]	medium	2
desferrioxamine b mesylate	[no description available]	medium	2	methanesulfonate salt	antidote; ferroptosis inhibitor; iron chelator
bupropion hydrochloride	[no description available]	medium	2	aromatic ketone
trazodone hydrochloride	[no description available]	medium	2	hydrochloride	adrenergic antagonist; antidepressant; H1-receptor antagonist; sedative; serotonin uptake inhibitor
trovafloxacin	[no description available]	medium	2
verapamil hydrochloride	[no description available]	medium	2
ciprofloxacin hydrochloride anhydrous	[no description available]	medium	2	hydrochloride	antibacterial drug; antiinfective agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor
amantadine hydrochloride	[no description available]	medium	2	hydrochloride	antiviral agent; dopamine agonist; NMDA receptor antagonist
dobutamine hydrochloride	[no description available]	medium	2	hydrochloride	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent
iopamidol	[no description available]	medium	2	benzenedicarboxamide; organoiodine compound; pentol	environmental contaminant; radioopaque medium; xenobiotic
sulconazole, mononitrate, (+-)-isomer	[no description available]	medium	2	conazole antifungal drug; imidazole antifungal drug; organic nitrate salt
telmisartan	[no description available]	medium	2	benzimidazoles; biphenyls; carboxybiphenyl	angiotensin receptor antagonist; antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; environmental contaminant; xenobiotic
trimethobenzamide monohydrochloride	[no description available]	medium	2
amiloride hydrochloride	[no description available]	medium	2	hydrate	diuretic; sodium channel blocker
econazole nitrate	[no description available]	medium	2
sertraline	[no description available]	medium	2	dichlorobenzene; secondary amino compound; tetralins	antidepressant; serotonin uptake inhibitor
lomefloxacin hydrochloride	[no description available]	medium	2	hydrochloride	antimicrobial agent; antitubercular agent; photosensitizing agent
flunoxaprofen	[no description available]	medium	2	1,3-benzoxazoles; monocarboxylic acid; organofluorine compound	antirheumatic drug; hepatotoxic agent; non-steroidal anti-inflammatory drug; protein kinase C agonist
tianeptine	[no description available]	medium	2	dibenzothiazepine; monocarboxylic acid; organochlorine compound
loperamide hydrochloride	[no description available]	medium	2	hydrochloride	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
grepafloxacin	[no description available]	medium	2	fluoroquinolone antibiotic; quinolines; quinolone antibiotic
2-naphthylisothiocyanate	[no description available]	medium	2
rosiglitazone	[no description available]	medium	2	aminopyridine; thiazolidinediones	EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; insulin-sensitizing drug
chloroquine diphosphate	[no description available]	medium	2
orphenadrine citrate	[no description available]	medium	2	citrate salt	H1-receptor antagonist; muscarinic antagonist; muscle relaxant; NMDA receptor antagonist; parasympatholytic
ketorolac tromethamine	[no description available]	medium	2	organoammonium salt	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor
clarithromycin	[no description available]	medium	2	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
n-(3,5-dichlorophenyl)succinimide	[no description available]	medium	2	pyrrolidines
phentolamine mesylate	[no description available]	medium	2
oxybutynin hydrochloride	[no description available]	medium	2	hydrochloride
1-cyano-2-hydroxy-3-butene	[no description available]	medium	1	secondary alcohol
cordium	[no description available]	medium	2	hydrate; hydrochloride
bosentan anhydrous	[no description available]	medium	2	primary alcohol; pyrimidines; sulfonamide	antihypertensive agent; endothelin receptor antagonist
methotrexate	[no description available]	medium	2	dicarboxylic 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
dilevalol	[no description available]	medium	1	2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide
nsc-141549	[no description available]	medium	2
levofloxacin	[no description available]	medium	2	9-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
naproxen	[no description available]	medium	2	methoxynaphthalene; monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
biotin	[no description available]	medium	2	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
aflatoxin b1	[no description available]	medium	2	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human metabolite
troleandomycin	[no description available]	medium	2	acetate ester; epoxide; macrolide antibiotic; monosaccharide derivative; polyketide; semisynthetic derivative	EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor; xenobiotic
fludrocortisone acetate	[no description available]	medium	2	11beta-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]	medium	2	organic sulfate salt	antineoplastic agent; geroprotector
acivicin	[no description available]	medium	2	isoxazoles; 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
ritonavir	[no description available]	medium	2	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
glucosamine	[no description available]	medium	2	D-glucosamine	Escherichia coli metabolite; geroprotector; mouse metabolite
puromycin	[no description available]	medium	2	puromycins	antiinfective 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]	medium	2	limonene	plant metabolite
quinidine	[no description available]	medium	2	cinchona alkaloid	alpha-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
griseofulvin	[no description available]	medium	2	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite
cefoxitin	[no description available]	medium	2	beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative	antibacterial drug
moxalactam disodium	[no description available]	medium	2
abacavir	[no description available]	medium	2	2,6-diaminopurines	antiviral drug; drug allergen; HIV-1 reverse transcriptase inhibitor
mometasone furoate	[no description available]	medium	2	11beta-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]	medium	2	organic tricyclic compound	geroprotector
erythromycin estolate	[no description available]	medium	2	aminoglycoside sulfate salt; erythromycin derivative	enzyme inhibitor
kanamycin sulfate	[no description available]	medium	2	aminoglycoside sulfate salt	antibacterial drug; geroprotector
paromomycin sulfate	[no description available]	medium	2
chloramphenicol palmitate	[no description available]	medium	2	hexadecanoate ester
calcium pantothenate	[no description available]	medium	2	polymer
doxorubicin hydrochloride	[no description available]	medium	2	anthracycline
maleic acid	[no description available]	medium	2	butenedioic acid	algal metabolite; mouse metabolite; plant metabolite
tretinoin	[no description available]	medium	2	retinoic 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
cyanoginosin lr	[no description available]	medium	2	microcystin	bacterial metabolite; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; environmental contaminant; xenobiotic
cerivastatin	[no description available]	medium	2	dihydroxy monocarboxylic acid; pyridines; statin (synthetic)
zithromax	[no description available]	medium	2	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic
drf 2725	[no description available]	medium	2
dactinomycin	[no description available]	medium	2	actinomycin	mutagen
azaserine	[no description available]	medium	2	carboxylic ester; diazo compound; L-serine derivative; non-proteinogenic L-alpha-amino acid	antifungal agent; antimetabolite; antimicrobial agent; antineoplastic agent; glutamine antagonist; immunosuppressive agent; metabolite
sodium bicarbonate	[no description available]	medium	1	one-carbon compound; organic sodium salt	antacid; food anticaking agent
arsenic trioxide	[no description available]	medium	2	arsenic oxide	antineoplastic agent; insecticide
idarubicin hydrochloride	[no description available]	medium	2	anthracycline
carbenoxolone sodium	[no description available]	medium	2	triterpenoid
mercaptopurine	[no description available]	medium	2	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent
thiothixene	[no description available]	medium	2	N-methylpiperazine	anticoronaviral agent
methimazole	[no description available]	medium	2	1,3-dihydroimidazole-2-thiones	antithyroid drug
sulindac	[no description available]	medium	2	monocarboxylic 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
capsaicin	[no description available]	medium	2	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
thioguanine anhydrous	[no description available]	medium	2	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent
(1R,2S)-tranylcypromine hydrochloride	[no description available]	medium	2	hydrochloride
thioacetamide	[no description available]	medium	2	thiocarboxamide	hepatotoxic agent
digoxin	[no description available]	medium	2	cardenolide glycoside; steroid saponin	anti-arrhythmia drug; cardiotonic drug; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; epitope
streptozocin	[no description available]	medium	2
tamoxifen	[no description available]	medium	2	stilbenoid; 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
hmr 3647	[no description available]	medium	2
quinine	[no description available]	medium	2	cinchona alkaloid	antimalarial; muscle relaxant; non-narcotic analgesic
tolcapone	[no description available]	medium	2	2-nitrophenols; benzophenones; catechols	antiparkinson drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
retinol palmitate	[no description available]	medium	2	all-trans-retinyl ester; retinyl palmitate	antioxidant; Escherichia coli metabolite; human xenobiotic metabolite
vitamin d 2	[no description available]	medium	2	hydroxy seco-steroid; seco-ergostane; vitamin D	bone density conservation agent; nutraceutical; plant metabolite; rodenticide
amphotericin b	[no description available]	medium	2	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite
eprosartan	[no description available]	medium	2	dicarboxylic acid; imidazoles; thiophenes	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
montelukast	[no description available]	medium	2	aliphatic sulfide; monocarboxylic acid; quinolines	anti-arrhythmia drug; anti-asthmatic drug; leukotriene antagonist
timolol maleate	[no description available]	medium	2	maleate salt	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
brompheniramine maleate	[no description available]	medium	2	maleate salt	anti-allergic agent
chlorpheniramine maleate	[no description available]	medium	2	organic molecular entity
clemastine fumarate	[no description available]	medium	2	fumarate salt	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
methylergonovine maleate	[no description available]	medium	2	ergoline alkaloid	geroprotector
entacapone	[no description available]	medium	2	2-nitrophenols; catechols; monocarboxylic acid amide; nitrile	antidyskinesia agent; antiparkinson drug; central nervous system drug; EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
estradiol-17 beta-glucuronide	[no description available]	medium	2	3-hydroxy steroid; steroid glucosiduronic acid
isotretinoin	[no description available]	medium	2	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent
cis-flupenthixol dihydrochloride	[no description available]	medium	1	hydrochloride	geroprotector
cyclosporine	[no description available]	medium	2	homodetic cyclic peptide	anti-asthmatic drug; anticoronaviral agent; antifungal agent; antirheumatic drug; carcinogenic agent; dermatologic drug; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; geroprotector; immunosuppressive agent; metabolite
phenoxybenzamine hydrochloride	[no description available]	medium	2	organic molecular entity
acitretin	[no description available]	medium	2	acitretin; alpha,beta-unsaturated monocarboxylic acid; retinoid	keratolytic drug
ly 163892	[no description available]	medium	2	carbacephem; zwitterion	antibacterial drug; antimicrobial agent
nalmefene	[no description available]	medium	2	morphinane alkaloid
furazolidone	[no description available]	medium	2
fluvoxamine	[no description available]	medium	2	(trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime	antidepressant; anxiolytic drug; serotonin uptake inhibitor
octylmethoxycinnamate	[no description available]	medium	2	cinnamate ester
naltrexone	[no description available]	medium	2	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic
lisinopril	[no description available]	medium	2	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
benazepril	[no description available]	medium	2	benzazepine; dicarboxylic acid monoester; ethyl ester; lactam	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug
vinblastine sulfate	[no description available]	medium	2
trientine hydrochloride	[no description available]	medium	2
dextromethorphan hydrobromide	[no description available]	medium	2	hydrate; hydrobromide
ceftazidime	[no description available]	medium	2	cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
famotidine	[no description available]	medium	2	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
fenoterol	[no description available]	medium	2	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
aztreonam	[no description available]	medium	2	beta-lactam antibiotic allergen; monobactam	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
enclomiphene citrate	[no description available]	medium	1
diphenoxylate hydrochloride	[no description available]	medium	2	hydrochloride	antidiarrhoeal drug
ergonovine maleate	[no description available]	medium	2	maleate salt	diagnostic agent; oxytocic
dantrolene sodium	[no description available]	medium	2
nitrofurantoin	[no description available]	medium	2	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent
ursodoxicoltaurine	[no description available]	medium	1	bile acid taurine conjugate	anti-inflammatory agent; apoptosis inhibitor; bone density conservation agent; cardioprotective agent; human metabolite; neuroprotective agent
molindone hydrochloride	[no description available]	medium	2	indoles
gentamicin sulfate	[no description available]	medium	1
baci-im	[no description available]	medium	2	homodetic cyclic peptide; polypeptide; zwitterion	antibacterial agent; antimicrobial agent
cytidine diphosphate choline	[no description available]	medium	2	nucleotide-(amino alcohol)s; phosphocholines	human metabolite; mouse metabolite; neuroprotective agent; psychotropic drug; Saccharomyces cerevisiae metabolite
clindamycin hydrochloride	[no description available]	medium	2	S-glycosyl compound
quinine sulfate	[no description available]	medium	2	hydrate
cefotiam hydrochloride	[no description available]	medium	2
potassium aminobenzoate	[no description available]	medium	2
methicillin sodium	[no description available]	medium	2	organic sodium salt
nafcillin sodium	[no description available]	medium	2	organic sodium salt
penicillin g sodium	[no description available]	medium	2	organic sodium salt
cefamandole nafate	[no description available]	medium	2	organic sodium salt	antibacterial drug
cephapirin sodium	[no description available]	medium	2	cephalosporin; organic sodium salt	antibacterial drug
sodium cephalothin	[no description available]	medium	2	organic sodium salt
dicloxacillin sodium	[no description available]	medium	2	hydrate
azlocillin sodium	[no description available]	medium	2	organic sodium salt
ascorbic acid	[no description available]	medium	3	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
novobiocin	[no description available]	medium	2	carbamate 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]	medium	2
piroxicam	[no description available]	medium	2	benzothiazine; monocarboxylic acid amide; pyridines	analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug
acenocoumarol	[no description available]	medium	2	C-nitro compound; hydroxycoumarin; methyl ketone	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor
isoxicam	[no description available]	medium	2	benzothiazine; isoxazoles; monocarboxylic acid amide	antirheumatic drug; non-steroidal anti-inflammatory drug
warfarin	[no description available]	medium	2	benzenes; hydroxycoumarin; methyl ketone
chlortetracycline hydrochloride	[no description available]	medium	2
methacycline monohydrochloride	[no description available]	medium	2
minocycline hydrochloride	[no description available]	medium	2
demeclocycline hydrochloride	[no description available]	medium	2
folic acid	[no description available]	medium	2	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
rifampin	[no description available]	medium	2	cyclic 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]	medium	2	benzodiazepine; 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
dacarbazine	[no description available]	medium	2	dacarbazine
didanosine	[no description available]	medium	2	purine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor
allopurinol	[no description available]	medium	3	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
citrovorum factor	[no description available]	medium	2	tetrahydrofolic acid
rifabutin	[no description available]	medium	2
4-aminophenol	[no description available]	medium	1	aminophenol	allergen; metabolite
aspirin	[no description available]	medium	1	benzoic 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
celecoxib	[no description available]	medium	1	organofluorine compound; pyrazoles; sulfonamide; toluenes	cyclooxygenase 2 inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug
clomiphene	[no description available]	medium	1	tertiary amine	estrogen antagonist; estrogen receptor modulator
disulfiram	[no description available]	medium	1	organic 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
sulfobromophthalein	[no description available]	medium	1	2-benzofurans; organobromine compound; organosulfonic acid; phenols	dye
telenzepine	[no description available]	medium	1	benzodiazepine
temozolomide	[no description available]	medium	1	imidazotetrazine; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; prodrug
diquat	[no description available]	medium	1	organic cation	defoliant; herbicide
n-pentanoic acid	[no description available]	medium	1	short-chain fatty acid; straight-chain saturated fatty acid	plant metabolite
lovastatin	[no description available]	medium	1	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug
tolrestat	[no description available]	medium	1	naphthalenes	EC 1.1.1.21 (aldehyde reductase) inhibitor
simvastatin	[no description available]	medium	1	delta-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
diltiazem hydrochloride	[no description available]	medium	1	hydrochloride	antihypertensive agent; calcium channel blocker; vasodilator agent
gefitinib	[no description available]	medium	1	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
cox 189	[no description available]	medium	1	amino acid; monocarboxylic acid; organochlorine compound; organofluorine compound; secondary amino compound	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
olmesartan	[no description available]	medium	1	biphenylyltetrazole	angiotensin receptor antagonist; antihypertensive agent
lapatinib	[no description available]	medium	1	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
taurolithocholic acid	[no description available]	medium	1	bile acid taurine conjugate; monocarboxylic acid amide	human metabolite
flupenthixol	[no description available]	medium	1	flupenthixol	dopaminergic antagonist
topiramate	[no description available]	medium	1	cyclic ketal; ketohexose derivative; sulfamate ester	anticonvulsant; sodium channel blocker
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid	[no description available]	medium	1	dihydroxy monocarboxylic acid; indoles; organofluorine compound
indinavir sulfate	[no description available]	medium	1	azaheterocycle sulfate salt
ximelagatran	[no description available]	medium	1	amidoxime; azetidines; carboxamide; ethyl ester; hydroxylamines; secondary amino compound; secondary carboxamide; tertiary carboxamide	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor; prodrug; serine protease inhibitor
ampicillin sodium	[no description available]	medium	1	organic sodium salt
mobic	[no description available]	medium	1	1,3-thiazoles; benzothiazine; monocarboxylic acid amide	analgesic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
sudoxicam	[no description available]	medium	1
1-aminobenzotriazole	[no description available]	medium	1
acetanilide	[no description available]	medium	1	acetamides; anilide	analgesic
tryptophan	[no description available]	medium	1	erythrose 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
8-hydroxy-2'-deoxyguanosine	[no description available]	medium	1	guanosines	biomarker
nitrates	[no description available]	medium	1	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
n-acetyl-4-benzoquinoneimine	[no description available]	medium	3	ketoimine; quinone imine
ovalbumin	[no description available]	medium	1
ofloxacin	[no description available]	medium	1	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline
chloramphenicol	[no description available]	medium	1	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
phenobarbital	[no description available]	medium	1	barbiturates	anticonvulsant; drug allergen; excitatory amino acid antagonist; sedative
cobalt	[no description available]	medium	1	cobalt group element atom; metal allergen	micronutrient
cobaltous chloride	[no description available]	medium	1	cobalt salt; inorganic chloride	allergen; calcium channel blocker; sensitiser; two-colour indicator
allyl sulfide	[no description available]	medium	1	organic sulfide
wortmannin	[no description available]	medium	1	acetate ester; cyclic ketone; delta-lactone; organic heteropentacyclic compound	anticoronaviral agent; antineoplastic agent; autophagy inhibitor; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; geroprotector; Penicillium metabolite; radiosensitizing agent
sb 203580	[no description available]	medium	1	imidazoles; monofluorobenzenes; pyridines; sulfoxide	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector; Hsp90 inhibitor; neuroprotective agent
thiazoles	[no description available]	medium	1	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
yh 439	[no description available]	medium	1	aromatic amide; isopropyl ester; secondary carboxamide
trypan blue	[no description available]	medium	1
3-hydroxyacetaminophen	[no description available]	medium	1
glutathione disulfide	[no description available]	medium	1	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
2-hydroxyacetanilide	[no description available]	medium	1	acetamides; phenols	anti-inflammatory agent; antineoplastic agent; antirheumatic drug; apoptosis inducer; platelet aggregation inhibitor; xenobiotic metabolite
nadp	[no description available]	medium	2
2,3,4,6-tetrachlorophenol	[no description available]	medium	1	tetrachlorophenol	xenobiotic metabolite
pentachlorophenol	[no description available]	medium	1	aromatic fungicide; chlorophenol; organochlorine pesticide; pentachlorobenzenes	human xenobiotic metabolite
dimethyl sulfoxide	[no description available]	low	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
acemetacin	[no description available]	low	0	carboxylic ester; indol-3-yl carboxylic acid; monocarboxylic acid; monochlorobenzenes; N-acylindole	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
alminoprofen	[no description available]	low	0	amino acid; monocarboxylic acid; secondary amino compound; substituted aniline	antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 3.1.1.4 (phospholipase A2) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
amantadine	[no description available]	low	0	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic
amfenac	[no description available]	low	0	amino acid; benzophenones; oxo monocarboxylic acid; primary amino compound; substituted aniline	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
ampyrone	[no description available]	low	0	primary amino compound; pyrazolone	antipyretic; antirheumatic drug; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; marine xenobiotic metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
antipyrine	[no description available]	low	0	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
acetovanillone	[no description available]	low	0	acetophenones; aromatic ketone; methyl ketone	antirheumatic drug; EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; plant metabolite
bufexamac	[no description available]	low	0	aromatic ether; hydroxamic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
dipyrone	[no description available]	low	0	amino sulfonic acid; pyrazoles	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
etodolac	[no description available]	low	0	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fenoprofen	[no description available]	low	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug
indoprofen	[no description available]	low	0	gamma-lactam; isoindoles; monocarboxylic acid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
propyphenazone	[no description available]	low	0	pyrazolone	non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
kebuzone	[no description available]	low	0	methyl ketone; pyrazolidines	non-narcotic analgesic; non-steroidal anti-inflammatory drug
lamotrigine	[no description available]	low	0	1,2,4-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
loxoprofen	[no description available]	low	0	cyclopentanones; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
methoxyflurane	[no description available]	low	0	ether; organochlorine compound; organofluorine compound	hepatotoxic agent; inhalation anaesthetic; nephrotoxic agent; non-narcotic analgesic
nabumetone	[no description available]	low	0	methoxynaphthalene; methyl ketone	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
oxyphenbutazone	[no description available]	medium	0	phenols; pyrazolidines	antimicrobial agent; antineoplastic agent; antipyretic; drug metabolite; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic metabolite
phenazopyridine	[no description available]	low	0	diaminopyridine; monoazo compound	anticoronaviral agent; carcinogenic agent; local anaesthetic; non-narcotic analgesic
proglumetacin	[no description available]	low	0	aromatic ether; benzamides; carboxylic ester; monochlorobenzenes; N-acylindole; N-alkylpiperazine	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
salicylamide	[no description available]	medium	0	phenols; salicylamides	antirheumatic drug; non-narcotic analgesic
salicylsalicylic acid	[no description available]	medium	0	benzoate 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
suprofen	[no description available]	low	0	aromatic ketone; monocarboxylic acid; thiophenes	antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
suxibuzone	[no description available]	low	0	hemisuccinate; monocarboxylic acid; pyrazolidines	antirheumatic drug; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug; prodrug
2-thiosalicylic acid	[no description available]	low	0	sulfanylbenzoic acid	antipyretic; non-narcotic analgesic
carbachol	[no description available]	low	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
aminopyrine	[no description available]	low	0	pyrazolone; tertiary amino compound	antipyretic; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
ergotamine	[no description available]	low	0	peptide ergot alkaloid	alpha-adrenergic agonist; mycotoxin; non-narcotic analgesic; oxytocic; serotonergic agonist; vasoconstrictor agent
dihydroergotamine	[no description available]	low	0	ergot alkaloid; semisynthetic derivative	dopamine agonist; non-narcotic analgesic; serotonergic agonist; sympatholytic agent; vasoconstrictor agent
noramidopyrine	[no description available]	low	0	pyrazoles; secondary amino compound	antipyretic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; opioid analgesic; peripheral nervous system drug
dronabinol	[no description available]	low	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
mofebutazone	[no description available]	low	0	pyrazolidines	non-narcotic analgesic; non-steroidal anti-inflammatory drug
clonixin	[no description available]	low	0	aminopyridine; organochlorine compound; pyridinemonocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent
alclofenac	[no description available]	low	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug
oxamethacin	[no description available]	low	0	aromatic ether; hydroxamic acid; N-acylindole; organochlorine compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flunixin	[no description available]	low	0	aminopyridine; organofluorine compound; pyridinemonocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
flunixin meglumine	[no description available]	low	0	organoammonium salt	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
dexibuprofen	[no description available]	low	0	ibuprofen	non-narcotic analgesic; non-steroidal anti-inflammatory drug
pirfenidone	[no description available]	low	0	pyridone	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fendosal	[no description available]	low	0	benzoindole; monohydroxybenzoic acid; pyrroles	non-narcotic analgesic; non-steroidal anti-inflammatory drug
tepoxalin	[no description available]	low	0	aromatic ether; hydroxamic acid; monochlorobenzenes; pyrazoles	antipyretic; apoptosis inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; immunomodulator; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fenoprofen calcium	[no description available]	low	0	hydrate	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
droxicam	[no description available]	low	0	organic heterotricyclic compound; pyridines	cyclooxygenase 1 inhibitor; hepatotoxic agent; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; prodrug
ibuproxam	[no description available]	low	0	hydroxamic acid	iron chelator; non-narcotic analgesic; non-steroidal anti-inflammatory drug
lonazolac	[no description available]	low	0	monocarboxylic acid; monochlorobenzenes; pyrazoles	antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
miroprofen	[no description available]	low	0	imidazopyridine; monocarboxylic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor
dihydroergotamine mesylate	[no description available]	low	0	methanesulfonate salt	non-narcotic analgesic; serotonergic agonist; vasoconstrictor agent
aceclofenac	[no description available]	low	0	amino 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
methotrimeprazine	[no description available]	low	0	phenothiazines; tertiary amine	anticoronaviral agent; cholinergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; non-narcotic analgesic; phenothiazine antipsychotic drug; serotonergic antagonist
tetrahydropalmatine	[no description available]	low	0	an (S)-7,8,13,14-tetrahydroprotoberberine; berberine alkaloid; organic heterotetracyclic compound	adrenergic agent; dopaminergic antagonist; non-narcotic analgesic
friedelin	[no description available]	low	0	cyclic terpene ketone; pentacyclic triterpenoid	anti-inflammatory drug; antipyretic; non-narcotic analgesic; plant metabolite
difenpiramide	[no description available]	low	0	biphenyls; monocarboxylic acid amide; pyridines	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
valdecoxib	[no description available]	low	0	isoxazoles; sulfonamide	antipyretic; antirheumatic drug; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
parecoxib	[no description available]	low	0	isoxazoles; N-sulfonylcarboxamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
nepafenac	[no description available]	low	0	monocarboxylic acid amide	cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
firocoxib	[no description available]	low	0	butenolide; cyclopropanes; enol ether; sulfone	antineoplastic agent; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
salicin	[no description available]	low	0	aromatic primary alcohol; aryl beta-D-glucoside; benzyl alcohols	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
dipyrone	[no description available]	low	0	organic sodium salt	anti-inflammatory agent; antipyretic; antirheumatic drug; cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug; prodrug
tolfenamic acid	[no description available]	low	0	aminobenzoic acid; organochlorine compound; secondary amino compound	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; EC 2.7.1.33 (pantothenate kinase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
dexketoprofen	[no description available]	low	0	benzophenones; monocarboxylic acid	cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
naproxol	[no description available]	low	0	aromatic ether	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
deracoxib	[no description available]	low	0	organofluorine compound; pyrazoles; sulfonamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
lysine clonixinate	[no description available]	low	0	organoammonium salt	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; lipoxygenase inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; platelet aggregation inhibitor; vasodilator agent
dexmedetomidine	[no description available]	low	0	medetomidine	alpha-adrenergic agonist; analgesic; non-narcotic analgesic; sedative
robenacoxib	[no description available]	low	0	aromatic amino acid; monocarboxylic acid; organofluorine compound; phenylacetic acids; secondary amino compound	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
parthenolide	[no description available]	low	0	sesquiterpene lactone	drug allergen; inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
4-(5-(4-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl)benzenesulfonamide	[no description available]	low	0	organofluorine compound; pyrazoles; sulfonamide	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
naproxen-n-butyl nitrate	[no description available]	low	0	carboxylic ester; methoxynaphthalene; nitrate ester	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; nitric oxide donor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug
sodium bromfenac	[no description available]	low	0	hydrate	non-narcotic analgesic; non-steroidal anti-inflammatory drug
tofisopam	[no description available]	low	0	organic sodium salt	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
naproxen sodium	[no description available]	low	0	organic sodium salt	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
ulixacaltamide	[no description available]	low	0	benzamides; monochlorobenzenes; monofluorobenzenes; piperidines; secondary carboxamide	non-narcotic analgesic; T-type calcium channel blocker
mobiflex	[no description available]	low	0	heteroaryl 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
lornoxicam	[no description available]	low	0	heteroaryl hydroxy compound; monocarboxylic acid amide; organochlorine compound; pyridines; thienothiazine	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
acetamide	[no description available]	low	0	acetamides; carboximidic acid; monocarboxylic acid amide; N-acylammonia
n-acetylserotonin	[no description available]	low	0	acetamides; N-acylserotonin; phenols	antioxidant; human metabolite; mouse metabolite; tropomyosin-related kinase B receptor agonist
n'-acetylspermine	[no description available]	low	0	acetamides; acetylspermine	human metabolite
6-chloromelatonin	[no description available]	low	0	acetamides
6-hydroxymelatonin	[no description available]	low	0	acetamides; tryptamines	metabolite; mouse metabolite
acetarsol	[no description available]	low	0	acetamides; anilide
4-(acetylamino)benzeneacetic acid	[no description available]	low	0	acetamides; anilide
diatrizoic acid	[no description available]	low	0	acetamides; benzoic acids; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
ci 994	[no description available]	low	0	acetamides; benzamides; substituted aniline	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
colchicine, (+-)-isomer	[no description available]	low	0	acetamides; alkaloid; aromatic ether; carbotricyclic compound	microtubule-destabilising agent; plant metabolite
gr 89696	[no description available]	low	0	acetamides
guanfacine	[no description available]	low	0	acetamides
hexamethylene bisacetamide	[no description available]	low	0	acetamides
acecainide	[no description available]	low	0	acetamides; benzamides	anti-arrhythmia drug
phenacemide	[no description available]	low	0	acetamides
practolol	[no description available]	low	0	acetamides; ethanolamines; propanolamine; secondary alcohol; secondary amino compound	anti-arrhythmia drug; beta-adrenergic antagonist
tropicamide	[no description available]	low	0	acetamides
talactoferrin alfa	[no description available]	low	0	acetamides
methacetin	[no description available]	low	0	acetamides; aromatic ether
acedapsone	[no description available]	low	0	acetamides; anilide; secondary carboxamide; sulfone	antimalarial; antimicrobial drug
n-methylacetamide	[no description available]	low	0	acetamides; monocarboxylic acid amide	metabolite
acetopyrrothine	[no description available]	low	0	acetamides; dithiolopyrrolone antibiotic	angiogenesis inhibitor; antibacterial agent; antifungal agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite; protein synthesis inhibitor; toxin
phenylbutyramide	[no description available]	low	0	acetamides
N-(2-methoxyphenyl)acetamide	[no description available]	low	0	acetamides; methoxybenzenes
4-methylacetanilide	[no description available]	low	0	acetamides; toluenes
arsthinol	[no description available]	low	0	acetamides; anilide
nithiamide	[no description available]	low	0	acetamides; aromatic amide
4'-(chloroacetyl)acetanilide	[no description available]	low	0	acetamides; alpha-chloroketone; aromatic ketone
4-chloroacetanilide	[no description available]	low	0	acetamides; monochlorobenzenes
monoacetyldapsone	[no description available]	low	0	acetamides; anilide; secondary carboxamide; sulfone
n-ethylacetamide	[no description available]	low	0	acetamides	metabolite
ethyl n-alpha-acetyl-tyrosinate	[no description available]	low	0	acetamides; ethyl ester; L-tyrosine derivative; phenols
2-acetamidoethanethiol	[no description available]	low	0	acetamides	metabolite
n,n-diethylphenylacetamide	[no description available]	low	0	acetamides
trimethylcolchicinic acid methyl ether	[no description available]	low	0	acetamides; alkaloid; carbotricyclic compound
dimethylacetamide	[no description available]	low	0	acetamides; monocarboxylic acid amide	human metabolite
4-acetylaminofluorene	[no description available]	low	0	acetamides; fluorenes	mitogen
ioxitalamic acid	[no description available]	low	0	acetamides; benzoic acids; dicarboxylic acid monoamide; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic
lorcainide	[no description available]	low	0	acetamides
bidisomide	[no description available]	low	0	acetamides
n(4)-acetylsulfadiazine	[no description available]	low	0	acetamides; pyrimidines; sulfonamide	marine xenobiotic metabolite
oseltamivir	[no description available]	low	0	acetamides; amino acid ester; cyclohexenecarboxylate ester; primary amino compound	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; environmental contaminant; prodrug; xenobiotic
6-sulfatoxymelatonin	[no description available]	low	0	acetamides
n-acetylaminoantipyrine	[no description available]	low	0	acetamides; pyrazoles	drug metabolite; marine xenobiotic metabolite
milnacipran	[no description available]	low	0	acetamides
N(4)-acetylsulfathiazole	[no description available]	low	0	1,3-thiazoles; acetamides; sulfonamide	marine xenobiotic metabolite
disobutamide	[no description available]	low	0	acetamides
glycolamide	[no description available]	low	0	acetamides
n-acetylhistamine	[no description available]	low	0	acetamides; imidazoles	human metabolite
n-acetyltryptamine	[no description available]	low	0	acetamides; indoles
acamprosate	[no description available]	low	0	acetamides; organosulfonic acid	environmental contaminant; neurotransmitter agent; xenobiotic
guanfacine hydrochloride	[no description available]	low	0	acetamides	geroprotector
epanolol	[no description available]	low	0	acetamides
N-Acetylhomoveratrylamine	[no description available]	low	0	acetamides
s20098	[no description available]	low	0	acetamides
acetaminophen sulfate ester	[no description available]	low	0	acetamides; aryl sulfate	drug metabolite
acetaminophen mercapturate	[no description available]	low	0	acetamides; organic sulfide; phenols; S-substituted N-acetyl-L-cysteine	drug metabolite; human urinary metabolite; rat metabolite
4-(hydroxyphenyl)acetamide	[no description available]	low	0	acetamides
n-acetyltryptophanamide	[no description available]	low	0	acetamides; L-tryptophan derivative; primary carboxamide; secondary carboxamide
n-acetyldopamine	[no description available]	low	0	acetamides; catechols; N-(fatty acyl)-dopamine; secondary carboxamide	human urinary metabolite; marine metabolite
ethyl-3-(n-n-butyl-n-acetyl)aminopropionate	[no description available]	low	0	acetamides; ethyl ester; tertiary carboxamide
n-acetylcytidine	[no description available]	low	0	acetamides; cytidines; secondary carboxamide	metabolite
2-iodomelatonin	[no description available]	low	0	acetamides
n-acetyltyramine	[no description available]	low	0	acetamides; tyramines	animal metabolite; Aspergillus metabolite; bacterial metabolite; marine metabolite; quorum sensing inhibitor
luzindole	[no description available]	low	0	acetamides; indoles	melatonin receptor antagonist
acetylphenylalanyl-prolyl-boroarginine	[no description available]	low	0	acetamides; C-terminal boronic acid peptide; guanidines	anticoagulant; EC 3.4.21.5 (thrombin) inhibitor
n',n''-diacetylspermine	[no description available]	low	0	acetamides
bcx 1812	[no description available]	low	0	3-hydroxy monocarboxylic acid; acetamides; cyclopentanols; guanidines	antiviral drug; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
acetyltaurine	[no description available]	low	0	acetamides; organosulfonic acid	human blood serum metabolite; human urinary metabolite
milnacipran hydrochloride	[no description available]	low	0	acetamides
n(4)-acetylsulfadimethoxine	[no description available]	low	0	acetamides; pyrimidines; sulfonamide	marine xenobiotic metabolite
monoacetylcadaverine	[no description available]	low	0	acetamides; N-substituted cadaverine; primary amino compound; secondary carboxamide	human metabolite
N-hydroxy-2-phenylacetamide	[no description available]	low	0	acetamides
N-(1-phenylethyl)acetamide	[no description available]	low	0	acetamides; secondary carboxamide
gamma-lumicolchicine	[no description available]	low	0	acetamides; alkaloid; carbotricyclic compound
1-(1-oxo-2-phenylethyl)-4-piperidinecarboxylic acid	[no description available]	low	0	acetamides
mr 16728	[no description available]	low	0	acetamides
linezolid	[no description available]	low	0	acetamides; morpholines; organofluorine compound; oxazolidinone	antibacterial drug; protein synthesis inhibitor
ammodendrine	[no description available]	low	0	acetamides; N-acylpiperidine; piperidine alkaloid	plant metabolite; teratogenic agent
laninamivir	[no description available]	low	0	acetamides
N-[2-(4-methoxyphenyl)ethyl]acetamide	[no description available]	low	0	acetamides
N-(4-acetamidophenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetamide	[no description available]	low	0	acetamides; anilide
N-(4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}phenyl)acetamide	[no description available]	low	0	acetamides; piperidines; pyridines; sulfonamide
2-(4-methoxyphenyl)-N-(phenylmethyl)-N-propan-2-ylacetamide	[no description available]	low	0	acetamides
N-[4-(4-morpholinylazo)phenyl]acetamide	[no description available]	low	0	acetamides; anilide
N-[[6-cyano-5-(ethylamino)-3-methyl-2-pyrazinyl]methyl]-N-phenylacetamide	[no description available]	low	0	acetamides; anilide
N-[4-(5-bromo-2-thiophenyl)-2-thiazolyl]acetamide	[no description available]	low	0	acetamides; aromatic amide
1-(1-azepanyl)-2-(4-bromophenyl)ethanone	[no description available]	low	0	acetamides
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-nitrophenyl)acetamide	[no description available]	low	0	acetamides
N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide	[no description available]	low	0	acetamides
N-[3-(methylthio)-1,2,4-thiadiazol-5-yl]-2-phenylacetamide	[no description available]	low	0	acetamides
2-(3-acetamidophenoxy)-N-phenylacetamide	[no description available]	low	0	acetamides; anilide
1-(4-methoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)-1-cyclopentanecarboxamide	[no description available]	low	0	acetamides
N-[4-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide	[no description available]	low	0	acetamides; anilide
N-[4-[2-[(6-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide	[no description available]	low	0	acetamides; anilide
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide	[no description available]	low	0	acetamides; anilide
1-[[2-(3-bromo-4-methoxyphenyl)-1-oxoethyl]amino]-3-phenylthiourea	[no description available]	low	0	acetamides
4-(2,4-dichlorophenyl)-2-[(1-oxo-2-phenylethyl)amino]-3-thiophenecarboxamide	[no description available]	low	0	acetamides
2-acetamido-5-propyl-3-thiophenecarboxamide	[no description available]	low	0	acetamides; aromatic amide
2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide	[no description available]	low	0	acetamides
2-(4-bromophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide	[no description available]	low	0	acetamides
N-[4-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(2-methoxyphenyl)acetamide	[no description available]	low	0	acetamides
2-(4-chlorophenyl)-N-[4-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide	[no description available]	low	0	acetamides
1-ethyl-3-[(1-oxo-2-phenylethyl)amino]thiourea	[no description available]	low	0	acetamides
N-[4-[[2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]phenyl]acetamide	[no description available]	low	0	acetamides; anilide
2-phenyl-N-[2-(phenylmethylthio)ethyl]acetamide	[no description available]	low	0	acetamides
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-fluorophenyl)acetamide	[no description available]	low	0	acetamides
2-(4-chlorophenyl)-N-[4-(difluoromethylthio)phenyl]acetamide	[no description available]	low	0	acetamides
N-(4-acetamidophenyl)-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetamide	[no description available]	low	0	acetamides; anilide
N-[4-[(2-furanylmethylamino)-sulfanylidenemethyl]phenyl]acetamide	[no description available]	low	0	acetamides; anilide
acetylthiourea	[no description available]	low	0	acetamides; thioureas
alpha-acetyllysine methyl ester	[no description available]	low	0	acetamides; alpha-amino acid ester; L-lysine derivative; methyl ester; primary amino compound
1-(2,6-dimethyl-1-piperidinyl)-2-phenylethanone	[no description available]	low	0	acetamides
N-(2-methoxyphenyl)-2-phenyl-2-(phenylthio)acetamide	[no description available]	low	0	acetamides
ici 199441	[no description available]	low	0	acetamides
N-[4-[[2-(4-acetamidoanilino)-5-nitro-4-pyrimidinyl]amino]phenyl]acetamide	[no description available]	low	0	acetamides; anilide
1-[5-hydroxy-3-methyl-5-(3-pyridinyl)-4H-pyrazol-1-yl]-2-(4-methylphenyl)ethanone	[no description available]	low	0	acetamides
2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide	[no description available]	low	0	acetamides
CID 3191469	[no description available]	low	0	acetamides; anilide	anticoronaviral agent
CID 3198732	[no description available]	low	0	acetamides; anilide	anticoronaviral agent
2-(4-ethoxyphenyl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone	[no description available]	low	0	acetamides
5-methoxycarbonylamino-n-acetyltryptamine	[no description available]	low	0	acetamides
2-(4-chlorophenyl)-3-methyl-N-(2-thiazolyl)butanamide	[no description available]	low	0	acetamides
N-[2-[1-(3,5-dimethyl-1-piperidinyl)-1-oxopropan-2-yl]oxyphenyl]acetamide	[no description available]	low	0	acetamides; anilide
brl 52537	[no description available]	low	0	acetamides
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(-)-isomer	[no description available]	low	0	acetamides
levomilnacipran	[no description available]	low	0	acetamides
andarine	[no description available]	low	0	acetamides; anilide
ro-28-1675	[no description available]	low	0	acetamides
holomycin	[no description available]	low	0	acetamides; dithiolopyrrolone antibiotic	antibacterial agent; antineoplastic agent; bacterial metabolite; chelator; EC 2.7.7.6 (RNA polymerase) inhibitor; marine metabolite
N-[1-(5,6-dicyano-3-methyl-2-pyrazinyl)ethyl]-N-phenylacetamide	[no description available]	low	0	acetamides; anilide
trametinib	[no description available]	low	0	acetamides; aromatic amine; cyclopropanes; organofluorine compound; organoiodine compound; pyridopyrimidine; ring assembly	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; geroprotector
n-(3-fluorophenyl)-1-((4-(((3s)-3-methyl-1-piperazinyl)methyl)phenyl)acetyl)-4-piperidinamine	[no description available]	low	0	acetamides
2-acetamidoglucal	[no description available]	low	0	acetamides; glycal derivative	metabolite
3-[1-[[1-(4-methoxyphenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one	[no description available]	low	0	acetamides
3-[1-[[1-(4-methylphenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one	[no description available]	low	0	acetamides
3-[1-[oxo-(1-phenylcyclopropyl)methyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one	[no description available]	low	0	acetamides
3-[1-[[1-(4-chlorophenyl)cyclopropyl]-oxomethyl]-4-piperidinyl]-5-phenyl-1,3,4-oxadiazol-2-one	[no description available]	low	0	acetamides
n(alpha)-acetylfusarinines	[no description available]	low	0	2,5-diketopiperazines; acetamides; carboxylic ester; homoallylic alcohol; hydroxamic acid; primary alcohol	siderophore
N-[2-[[4-(2-hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide	[no description available]	low	0	acetamides; anilide
N-[5-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide	[no description available]	low	0	acetamides; anilide
N-[5-[[2-(4-acetamidoanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-5-bromo-2-furancarboxamide	[no description available]	low	0	acetamides; anilide
N-[(2S,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-phenylacetamide	[no description available]	low	0	acetamides
KOM70144	[no description available]	low	0	acetamides; benzamides; naphthalenes; secondary carboxamide	anticoronaviral agent; protease inhibitor
n-(2-(5-methoxy-2-oxo-2,3-dihydro-1h-indol-3-yl)ethyl)acetamide	[no description available]	low	0	acetamides; hydroxyindoles; tryptamines	antineoplastic agent; apoptosis inducer; plant metabolite
N-[4-[2-(2-methoxyethylamino)-6H-1,3,4-thiadiazin-5-yl]phenyl]acetamide	[no description available]	low	0	acetamides; anilide
N-[4-[2-(2-oxolanylmethylamino)-6H-1,3,4-thiadiazin-5-yl]phenyl]acetamide	[no description available]	low	0	acetamides; anilide
3-hydroxybenzyl alcohol	[no description available]	low	0	hydroxybenzyl alcohol; phenols	metabolite
4-hydroxybenzyl alcohol	[no description available]	low	0	benzyl alcohols; phenols	plant metabolite
4-hydroxyphenylacetic acid	[no description available]	low	0	monocarboxylic acid; phenols	fungal metabolite; human metabolite; mouse metabolite; plant metabolite
4-hydroxymandelic acid	[no description available]	low	0	2-hydroxy carboxylic acid; phenols	metabolite
4-vinylguaiacol	[no description available]	low	0	phenols	flavouring agent; pheromone; plant metabolite
4-hydroxyphenylglyoxylic acid	[no description available]	low	0	phenols
melilotic acid	[no description available]	low	0	monocarboxylic acid; phenols	bacterial xenobiotic metabolite; fungal xenobiotic metabolite; human xenobiotic metabolite; plant metabolite
4-hydroxyphenylpyruvic acid	[no description available]	low	0	2-oxo monocarboxylic acid; phenols	human metabolite
vanillin	[no description available]	low	0	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite
8-hydroxy-2-(di-n-propylamino)tetralin	[no description available]	low	0	phenols; tertiary amino compound; tetralins	serotonergic antagonist
vanilmandelic acid	[no description available]	low	0	2-hydroxy monocarboxylic acid; aromatic ether; phenols	human metabolite
3-hydroxybenzylhydrazine	[no description available]	low	0	phenols
3-methoxytyramine	[no description available]	low	0	monomethoxybenzene; phenols; phenylethylamine; primary amino compound	biomarker; human blood serum metabolite; human urinary metabolite
4-hydroxybenzoic acid hydrazide	[no description available]	low	0	carbohydrazide; phenols
3-hydroxy-4-methoxyphenethylamine	[no description available]	low	0	monomethoxybenzene; phenols; phenylethylamine; primary amino compound	human metabolite; rat metabolite
albuterol	[no description available]	low	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
amodiaquine	[no description available]	low	0	aminoquinoline; organochlorine compound; phenols; secondary amino compound; tertiary amino compound	anticoronaviral agent; antimalarial; drug allergen; EC 2.1.1.8 (histamine N-methyltransferase) inhibitor; non-steroidal anti-inflammatory drug; prodrug
capsaicin	[no description available]	low	0	methoxybenzenes; phenols
chloroxylenol	[no description available]	low	0	monochlorobenzenes; phenols	antiseptic drug; disinfectant; molluscicide
nonivamide	[no description available]	low	0	capsaicinoid; phenols	lachrymator
dienestrol	[no description available]	low	0	olefinic compound; phenols	xenoestrogen
edrophonium	[no description available]	low	0	phenols; quaternary ammonium ion	antidote; diagnostic agent; EC 3.1.1.8 (cholinesterase) inhibitor
etilefrine	[no description available]	low	0	phenols
fluorescite	[no description available]	low	0	benzoic acids; cyclic ketone; hydroxy monocarboxylic acid; organic heterotricyclic compound; phenols; xanthene dye	fluorescent dye; radioopaque medium
formoterol fumarate	[no description available]	low	0	formamides; phenols; phenylethanolamines; secondary alcohol; secondary amino compound
ly 171883	[no description available]	low	0	acetophenones; aromatic ether; phenols; tetrazoles	anti-asthmatic drug; leukotriene antagonist
mesalamine	[no description available]	low	0	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug
norfenefrine	[no description available]	low	0	phenols
ns 1619	[no description available]	low	0	(trifluoromethyl)benzenes; benzimidazoles; phenols	potassium channel opener
oxymetazoline	[no description available]	low	0	carboxamidine; imidazolines; phenols	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
phenolphthalein	[no description available]	low	0	phenols
phenolsulfonphthalein	[no description available]	low	0	2,1-benzoxathiole; arenesulfonate ester; phenols; sultone	acid-base indicator; diagnostic agent; two-colour indicator
Phenyliodoundecynoate	[no description available]	low	0	benzoate ester; phenols
psilocin	[no description available]	low	0	hydroxyindoles; phenols; tertiary amino compound; tryptamine alkaloid	drug metabolite; fungal metabolite; hallucinogen; human xenobiotic metabolite; serotonergic agonist
resorcinol monoacetate	[no description available]	low	0	phenols; phenyl acetates	antibacterial agent; dermatologic drug
salmeterol xinafoate	[no description available]	low	0	ether; phenols; primary alcohol; secondary alcohol; secondary amino compound
sb 202190	[no description available]	low	0	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
triclosan	[no description available]	low	0	aromatic 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
phentolamine	[no description available]	low	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
17-desoxyestradiol	[no description available]	low	0	3-hydroxy steroid; phenolic steroid; phenols	estrogen
n-methyl-4-aminophenol	[no description available]	low	0	phenols	allergen
phenylephrine	[no description available]	low	0	phenols; phenylethanolamines; secondary amino compound	alpha-adrenergic agonist; cardiotonic drug; mydriatic agent; nasal decongestant; protective agent; sympathomimetic agent; vasoconstrictor agent
isoamyl salicylate	[no description available]	low	0	benzoate ester; phenols
glycol salicylate	[no description available]	low	0	phenols; primary alcohol; salicylates
2-tert-butyl-4-hydroxyanisole	[no description available]	low	0	aromatic ether; phenols
2-sec-butylphenol	[no description available]	low	0	phenols
thymol	[no description available]	low	0	monoterpenoid; phenols	volatile oil component
acetyleugenol	[no description available]	low	0	benzoate ester; phenols
creosol	[no description available]	low	0	methoxybenzenes; phenols
synephrine	[no description available]	low	0	ethanolamines; phenethylamine alkaloid; phenols	alpha-adrenergic agonist; plant metabolite
propylparaben	[no description available]	low	0	benzoate ester; paraben; phenols	antifungal agent; antimicrobial agent
3,4-dimethylphenol	[no description available]	low	0	phenols
2,5-xylenol	[no description available]	low	0	phenols	animal metabolite; volatile oil component
sulfosalicylic acid	[no description available]	low	0	arenesulfonic acid; benzoic acids; phenols	metabolite
4-isopropylphenol	[no description available]	low	0	phenols	flavouring agent
3,5-xylenol	[no description available]	low	0	phenols	xenobiotic metabolite
oxyphenisatin acetate	[no description available]	low	0	benzoate ester; phenols
bromphenol blue	[no description available]	low	0	2,1-benzoxathiole; arenesulfonate ester; organobromine compound; phenols; sultone	acid-base indicator; dye; two-colour indicator
phenyl salicylate	[no description available]	low	0	benzoate ester; phenols; salicylates	ultraviolet filter
homosalate	[no description available]	low	0	benzoate ester; phenols
benzyl salicylate	[no description available]	low	0	benzoate ester; phenols
2-ethylhexyl salicylate	[no description available]	low	0	benzoate ester; phenols
2'-hydroxyacetophenone	[no description available]	low	0	monohydroxyacetophenone; phenols	flavouring agent
3-tert-butyl-4-hydroxyanisole	[no description available]	low	0	aromatic ether; phenols	antioxidant; human xenobiotic metabolite
ethyl vanillin	[no description available]	low	0	aromatic ether; benzaldehydes; phenols	antioxidant; flavouring agent
p-cresyl acetate	[no description available]	low	0	benzoate ester; phenols
ethamivan	[no description available]	low	0	methoxybenzenes; phenols
4-hydroxyphenyllactic acid	[no description available]	low	0	2-hydroxy carboxylic acid; phenols	bacterial metabolite; human metabolite
plumbagin	[no description available]	low	0	hydroxy-1,4-naphthoquinone; phenols	anticoagulant; antineoplastic agent; immunological adjuvant; metabolite
carvacrol	[no description available]	low	0	botanical anti-fungal agent; p-menthane monoterpenoid; phenols	agrochemical; antimicrobial agent; flavouring agent; TRPA1 channel agonist; volatile oil component
phloroglucinol dimethyl ether	[no description available]	low	0	methoxybenzenes; phenols
4-hydroxyphenylethanol	[no description available]	low	0	phenols	anti-arrhythmia drug; antioxidant; cardiovascular drug; fungal metabolite; geroprotector; plant metabolite; protective agent
syringic acid	[no description available]	low	0	benzoic acids; dimethoxybenzene; phenols	plant metabolite
methoxyhydroxyphenylglycol	[no description available]	low	0	methoxybenzenes; phenols
paeonol	[no description available]	low	0	methoxybenzenes; phenols	metabolite
2-hydroxyphenylacetic acid	[no description available]	low	0	hydroxy monocarboxylic acid; phenols	human metabolite; mouse metabolite
3-hydroxybenzeneacetic acid	[no description available]	low	0	monocarboxylic acid; phenols	human xenobiotic metabolite
isovanillin	[no description available]	low	0	benzaldehydes; monomethoxybenzene; phenols	animal metabolite; antidiarrhoeal drug; antifungal agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; HIV protease inhibitor; plant metabolite
bulbocapnine	[no description available]	low	0	aporphine alkaloid; aromatic ether; oxacycle; phenols	EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor; EC 1.4.3.22 (diamine oxidase) inhibitor; plant metabolite
2-(2'-hydroxyphenyl)benzoxazole	[no description available]	low	0	1,3-benzoxazoles; phenols	geroprotector
fenadiazole	[no description available]	low	0	1,3,4-oxadiazoles; biaryl; phenols	sedative
amylmetacresol	[no description available]	low	0	phenols	antiseptic drug
4-chloro-2-cresol	[no description available]	low	0	monochlorobenzenes; phenols
antimycin a	[no description available]	low	0	benzamides; formamides; macrodiolide; phenols	antifungal agent; mitochondrial respiratory-chain inhibitor; piscicide
isobarbaloin	[no description available]	low	0	anthracenes; C-glycosyl compound; cyclic ketone; phenols	laxative; metabolite
dinoterb	[no description available]	low	0	C-nitro compound; phenols
bromoxynil	[no description available]	low	0	dibromobenzene; hydroxynitrile; phenols	environmental contaminant; herbicide; xenobiotic
2-allylphenol	[no description available]	low	0	phenols	antifungal agrochemical
3-methoxy-4-hydroxyphenylethanol	[no description available]	low	0	methoxybenzenes; phenols
bis(4-oxyphenyl)sulfide	[no description available]	low	0	phenols
hydroxyphenytoin	[no description available]	low	0	imidazolidine-2,4-dione; phenols	metabolite
2-(2-hydroxyphenyl)benzothiazole	[no description available]	low	0	benzothiazoles; phenols	geroprotector
cue-lure	[no description available]	low	0	benzoate ester; phenols
methyl vanillate	[no description available]	low	0	aromatic ether; benzoate ester; phenols	antioxidant; plant metabolite
2-isopropoxyphenol	[no description available]	low	0	aromatic ether; phenols
raspberry ketone	[no description available]	low	0	methyl ketone; phenols	androgen antagonist; cosmetic; flavouring agent; fragrance; hepatoprotective agent; metabolite
laurolitsine	[no description available]	low	0	aporphine alkaloid; aromatic ether; phenols	HIV-1 integrase inhibitor; metabolite
zingerone	[no description available]	low	0	methyl ketone; monomethoxybenzene; phenols	anti-inflammatory agent; antiemetic; antioxidant; flavouring agent; fragrance; plant metabolite; radiation protective agent
dimethophrine	[no description available]	low	0	methoxybenzenes; phenols
4-vinyl-2,6-dimethoxyphenol	[no description available]	low	0	methoxybenzenes; phenols
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid	[no description available]	low	0	chromanol; monocarboxylic acid; phenols	antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor
closantel	[no description available]	low	0	aromatic amide; monocarboxylic acid amide; monochlorobenzenes; nitrile; organoiodine compound; phenols
fomesafen	[no description available]	low	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
naxagolide	[no description available]	low	0	organic heterotricyclic compound; phenols; tertiary amino compound	anticonvulsant; antiparkinson drug; dopamine agonist
4-vinylphenol	[no description available]	low	0	phenols	human urinary metabolite; human xenobiotic metabolite
4-ethylguaiacol	[no description available]	low	0	methoxybenzenes; phenols
nelfinavir	[no description available]	low	0	aryl sulfide; benzamides; organic heterobicyclic compound; phenols; secondary alcohol; tertiary amino compound	antineoplastic agent; HIV protease inhibitor
salicylhydroxamic acid	[no description available]	low	0	hydroxamic acid; phenols	antibacterial drug; EC 1.11.2.2 (myeloperoxidase) inhibitor; EC 3.5.1.5 (urease) inhibitor; trypanocidal drug
cresatin	[no description available]	low	0	benzoate ester; phenols
4-trifluoromethylphenol	[no description available]	low	0	(trifluoromethyl)benzenes; phenols	drug metabolite; marine xenobiotic metabolite
3-pentadecylphenol	[no description available]	low	0	phenols
chavicol	[no description available]	low	0	phenols; phenylpropanoid
ibopamine	[no description available]	low	0	benzoate ester; phenols
4-methoxyestradiol	[no description available]	low	0	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; phenols	estrogen; human metabolite; rat metabolite
2-hydroxy-4-methoxybenzaldehyde	[no description available]	low	0	methoxybenzenes; phenols
methyl syringate	[no description available]	low	0	benzoate ester; dimethoxybenzene; phenols	plant metabolite
vanitiolide	[no description available]	low	0	methoxybenzenes; phenols
tubulosine	[no description available]	low	0	beta-carbolines; isoquinoline alkaloid; isoquinolines; phenols; secondary amino compound; tertiary amino compound
rubrofusarin	[no description available]	low	0	aromatic ether; benzochromenone; phenols; polyketide	biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; fungal metabolite
dauricine	[no description available]	low	0	aromatic ether; bisbenzylisoquinoline alkaloid; isoquinolines; phenols; tertiary amino compound	plant metabolite
2,5-di-tert-butyl-4-hydroxyanisole	[no description available]	low	0	methoxybenzenes; phenols
methyl gentisate	[no description available]	low	0	benzoate ester; phenols
4-hydroxyindole	[no description available]	low	0	hydroxyindoles; phenols
benzoyltyrosine ethyl ester	[no description available]	low	0	benzamides; ethyl ester; L-tyrosine derivative; phenols	chromogenic compound
methyl 3-(4-hydroxyphenyl)propionate	[no description available]	low	0	methyl ester; phenols	nitrification inhibitor; plant growth regulator
4-methyl-2,4-bis(4-hydroxyphenyl)pent-1-ene	[no description available]	low	0	phenols
adriamycinol	[no description available]	low	0	aminoglycoside; anthracycline antibiotic; aromatic ether; deoxy hexoside; p-quinones; phenols; polyol; tetracenequinones	cardiotoxic agent; drug metabolite
3-hydroxymandelic acid	[no description available]	low	0	2-hydroxy monocarboxylic acid; phenols	human metabolite
n-acetyltyrosine, (dl)-isomer	[no description available]	low	0	N-acetyl-amino acid; phenols; tyrosine derivative	human urinary metabolite
2-tyrosine	[no description available]	low	0	non-proteinogenic alpha-amino acid; phenols; phenylalanine derivative
2-amino-5-chlorophenol	[no description available]	low	0	monochlorobenzenes; phenols; primary amino compound
beta-peltatin	[no description available]	low	0	furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols	antineoplastic agent; plant metabolite
alpha-peltatin	[no description available]	low	0	furonaphthodioxole; gamma-lactone; lignan; organic heterotetracyclic compound; phenols	antineoplastic agent; metabolite
laudanine	[no description available]	low	0	aromatic ether; benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; phenols; racemate
tyrphostin 8	[no description available]	low	0	phenols
4-hydroxymexiletine	[no description available]	low	0	aromatic ether; phenols
sugiol	[no description available]	low	0	abietane diterpenoid; carbotricyclic compound; cyclic terpene ketone; meroterpenoid; phenols	antineoplastic agent; antioxidant; antiviral agent; plant metabolite; radical scavenger
gamma-glutamyltyrosine	[no description available]	low	0	dicarboxylic acid; dipeptide; phenols; primary amino compound; secondary carboxamide	human metabolite
6-paradol	[no description available]	low	0	ketone; monomethoxybenzene; phenols
2-hydroxy-5-methoxybenzaldehyde	[no description available]	low	0	benzaldehydes; monomethoxybenzene; phenols
4-(4-hydroxyphenyl)-2-butanol	[no description available]	low	0	phenols
tetrangulol	[no description available]	low	0	p-quinones; phenols; tetraphenes	bacterial metabolite
terphenyllin	[no description available]	low	0	dimethoxybenzene; para-terphenyl; phenols	Aspergillus metabolite; mycotoxin
2,3-bis(4-hydroxyphenyl)-propionitrile	[no description available]	low	0	nitrile; phenols	estrogen receptor agonist
3-(3-hydroxyphenyl)-3-hydroxypropanoic acid	[no description available]	low	0	dihydroxy monocarboxylic acid; phenols	human urinary metabolite
sn 38	[no description available]	low	0	delta-lactone; phenols; pyranoindolizinoquinoline; tertiary alcohol	antineoplastic agent; apoptosis inducer; drug metabolite; EC 5.99.1.2 (DNA topoisomerase) inhibitor
ly 117018	[no description available]	low	0	1-benzothiophenes; aromatic ketone; N-alkylpyrrolidine; phenols	bone density conservation agent; estrogen receptor antagonist; estrogen receptor modulator
5-hydroxypropafenone	[no description available]	low	0	phenols
4'-hydroxydiclofenac	[no description available]	low	0	dichlorobenzene; monocarboxylic acid; phenols; secondary amino compound	allergen; drug metabolite
3-chloro-4-hydroxyphenylacetic acid	[no description available]	low	0	hydroxy monocarboxylic acid; monochlorobenzenes; phenols	mammalian metabolite
eseroline	[no description available]	low	0	phenols; pyrroloindole	human xenobiotic metabolite; opioid analgesic
hydrangenol	[no description available]	low	0	dihydroisocoumarins; phenols	anti-allergic agent; plant metabolite
maculosin	[no description available]	low	0	dipeptide; homodetic cyclic peptide; phenols; pyrrolopyrazine	metabolite
2-o-methylpyrogallol	[no description available]	low	0	methoxybenzenes; phenols
dopamine 3-o-sulfate	[no description available]	low	0	aryl sulfate; phenols; primary amino compound; zwitterion	human blood serum metabolite; human urinary metabolite
estriol-16 alpha-glucuronide	[no description available]	low	0	17beta-hydroxy steroid; 3-hydroxy steroid; beta-D-glucosiduronic acid; phenols; steroid glucosiduronic acid	human urinary metabolite
emodin anthrone	[no description available]	low	0	anthracenone; phenols	fungal metabolite
4'-demethylpodophyllotoxin	[no description available]	low	0	furonaphthodioxole; organic heterotetracyclic compound; phenols	metabolite
4'-demethylepipodophyllotoxin	[no description available]	low	0	furonaphthodioxole; organic heterotetracyclic compound; phenols	antineoplastic agent
dopamine 4-o-sulfate	[no description available]	low	0	aryl sulfate; phenols; primary amino compound; zwitterion	human blood serum metabolite; human urinary metabolite
rubimaillin	[no description available]	low	0	benzochromene; methyl ester; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; neuroprotective agent; NF-kappaB inhibitor; plant metabolite
desvenlafaxine	[no description available]	low	0	cyclohexanols; phenols; tertiary amino compound	antidepressant; drug metabolite; marine xenobiotic metabolite
ay 25545	[no description available]	low	0	acetate ester; aromatic ether; C-glycosyl compound; naphthoisochromene; olefinic compound; phenols; tertiary amine	antimicrobial agent; antineoplastic agent; bacterial metabolite
tilivalline	[no description available]	low	0	indole alkaloid; indoles; phenols; pyrrolobenzodiazepine	bacterial metabolite; microtubule-stabilising agent; toxin
4-acetamidophenyl-2-thiophenecarboxylate	[no description available]	low	0	benzoate ester; phenols
yakuchinone-a	[no description available]	low	0	ketone; monomethoxybenzene; phenols	antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite
cd 437	[no description available]	low	0	adamantanes; monocarboxylic acid; naphthoic acid; phenols	apoptosis inducer; retinoic acid receptor gamma agonist
aclacinomycin	[no description available]	low	0	aminoglycoside; anthracycline; deoxy hexoside; methyl ester; monosaccharide derivative; phenols; polyketide; tertiary alcohol; tetracenequinones; zwitterion	antimicrobial agent; antineoplastic agent; metabolite
n-methylserotonin	[no description available]	low	0	phenols; tryptamines	human metabolite; plant metabolite
endocrocin	[no description available]	low	0	monocarboxylic acid; phenols; trihydroxyanthraquinone	metabolite
actinodaphine	[no description available]	low	0	aporphine alkaloid; aromatic ether; organic heteropentacyclic compound; phenols; secondary amino compound	antibacterial agent; antifungal agent; antineoplastic agent; apoptosis inducer; plant metabolite; platelet aggregation inhibitor; topoisomerase inhibitor
sulochrin	[no description available]	low	0	benzophenones; carboxylic ester; phenols	metabolite
isohomovanillic acid	[no description available]	low	0	aromatic ether; phenols; phenylacetic acids	metabolite
3,5-diiodothyropropionic acid	[no description available]	low	0	aromatic ether; monocarboxylic acid; organoiodine compound; phenols
4-hydroxybenzyl isothiocyanate	[no description available]	low	0	phenols
4'-demethyldesoxypodophyllotoxin	[no description available]	low	0	furonaphthodioxole; gamma-lactone; lignan; methoxybenzenes; phenols	antineoplastic agent; antioxidant; immunosuppressive agent; plant metabolite
myricanone	[no description available]	low	0	aromatic ether; cyclic ketone; diarylheptanoid; methoxybenzenes; phenols	antineoplastic agent; plant metabolite
pannarin	[no description available]	low	0	aldehyde; aromatic ether; depsidones; organic heterotricyclic compound; organochlorine compound; phenols	antimicrobial agent; antineoplastic agent; apoptosis inducer; lichen metabolite
gingerdione	[no description available]	low	0	beta-diketone; monomethoxybenzene; phenols
etilefrine hydrochloride	[no description available]	low	0	phenols
8-gingerol	[no description available]	low	0	beta-hydroxy ketone; monomethoxybenzene; phenols
10-gingerol	[no description available]	low	0	beta-hydroxy ketone; monomethoxybenzene; phenols
pluviatolide	[no description available]	low	0	aromatic ether; benzodioxoles; butan-4-olide; lignan; phenols	plant metabolite
nordihydrocapsaicin	[no description available]	low	0	methoxybenzenes; phenols
erysodine	[no description available]	low	0	aromatic ether; diether; Erythrina alkaloid; organic heterotetracyclic compound; phenols	antiparasitic agent; nicotinic antagonist; phytogenic insecticide
isomhpg	[no description available]	low	0	methoxybenzenes; phenols
rubrofusarin B	[no description available]	low	0	aromatic ether; benzochromenone; naphtho-gamma-pyrone; phenols; polyketide	Aspergillus metabolite
top 53	[no description available]	low	0	furonaphthodioxole; gamma-lactone; organic heterotetracyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
2,5-dihydroxybenzyl alcohol	[no description available]	low	0	aromatic primary alcohol; phenols	antineoplastic agent; antioxidant; apoptosis inhibitor; fungal metabolite
n-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexanecarboxamide	[no description available]	low	0	anilide fungicide; aromatic amide; dichlorobenzene; monocarboxylic acid amide; phenols	antifungal agrochemical; EC 1.14.13.72 (methylsterol monooxygenase) inhibitor; sterol biosynthesis inhibitor
deferasirox	[no description available]	low	0	benzoic acids; monocarboxylic acid; phenols; triazoles	iron chelator
succinobucol	[no description available]	low	0	benzoate ester; phenols
fonsecin	[no description available]	low	0	aromatic ether; cyclic hemiketal; heptaketide; naphtho-gamma-pyrone; phenols	Aspergillus metabolite; marine metabolite
4-allyl-2,6-dimethoxyphenol	[no description available]	low	0	dimethoxybenzene; phenols; phenylpropanoid
lariciresinol	[no description available]	low	0	aromatic ether; lignan; oxolanes; phenols; primary alcohol	antifungal agent; plant metabolite
4-(2-Amino-1,3-thiazol-4-yl)phenol	[no description available]	low	0	phenols
3-(2-Methylpropanoyloxy)-8-(2-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene	[no description available]	low	0	benzoate ester; phenols
maackiain	[no description available]	low	0	phenols; pterocarpans
2-methoxyestrone	[no description available]	low	0	17-oxo steroid; 3-hydroxy steroid; alicyclic ketone; aromatic ether; phenolic steroid; phenols	human metabolite; mouse metabolite
metoprolol tartrate	[no description available]	low	0	alcohol; phenols
ferruginol	[no description available]	low	0	abietane diterpenoid; carbotricyclic compound; meroterpenoid; phenols	antibacterial agent; antineoplastic agent; plant metabolite; protective agent
abyssinone i	[no description available]	low	0	monohydroxyflavanone; phenols	apoptosis inhibitor; plant metabolite
abyssinone v	[no description available]	low	0	4'-hydroxyflavanones; phenols; trihydroxyflavanone	metabolite
oxyacanthine	[no description available]	low	0	bisbenzylisoquinoline alkaloid; isoquinolines; macrocycle; phenols; tertiary amino compound
agnuside	[no description available]	low	0	benzoate ester; beta-D-glucoside; cyclopentapyran; iridoid monoterpenoid; monosaccharide derivative; phenols; terpene glycoside	anti-inflammatory agent; cyclooxygenase 2 inhibitor; plant metabolite; pro-angiogenic agent
cleomiscosin a	[no description available]	low	0	aromatic ether; delta-lactone; organic heterotricyclic compound; phenols; primary alcohol	anti-inflammatory agent; metabolite
pyochelin	[no description available]	low	0	monocarboxylic acid; phenols; thiazolidines	metabolite; siderophore
yersiniabactin	[no description available]	low	0	monocarboxylic acid; phenols; secondary alcohol; thiazolidines	bacterial metabolite; siderophore
sr 12813	[no description available]	low	0	organic phosphonate; phenols	pregnane X receptor agonist
mycophenolic acid	[no description available]	low	0	2-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
stigmatellin	[no description available]	low	0	aromatic ether; chromones; olefinic compound; phenols	bacterial metabolite; quinol oxidation site inhibitor
afimoxifene	[no description available]	low	0	phenols; tertiary amino compound	antineoplastic agent; estrogen receptor antagonist; metabolite
3-hydroxyhippuric acid	[no description available]	low	0	N-acylglycine; phenols	metabolite
aclarubicin	[no description available]	low	0	aminoglycoside; anthracycline; methyl ester; phenols; polyketide; tetracenequinones; trisaccharide derivative; zwitterion	antimicrobial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
teniposide	[no description available]	low	0	aromatic 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
chavibetol	[no description available]	low	0	methoxybenzenes; phenols
piperlactam s	[no description available]	low	0	alkaloid; aromatic ether; gamma-lactam; organic heterotetracyclic compound; phenols	anti-inflammatory agent; antioxidant; plant metabolite
2-hydroxycinnamic acid	[no description available]	low	0	2-coumaric acid; phenols	antioxidant; metabolite
2'-hydroxychalcone	[no description available]	low	0	chalcones; phenols	anti-inflammatory agent
6-(hexylthio)-4-(4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile	[no description available]	low	0	phenols
5-(4-bromophenyl)-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one	[no description available]	low	0	methoxybenzenes; phenols
2-methoxy-6-[[(1-propyl-5-benzimidazolyl)amino]methyl]phenol	[no description available]	low	0	methoxybenzenes; phenols
2-methoxy-6-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol	[no description available]	low	0	methoxybenzenes; phenols
acetic acid [4-[oxo-(2-phenylethylamino)methyl]phenyl] ester	[no description available]	low	0	benzoate ester; phenols
acetic acid [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] ester	[no description available]	low	0	benzoate ester; phenols
zucapsaicin	[no description available]	low	0	methoxybenzenes; phenols
2-hydroxybenzoic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester	[no description available]	low	0	benzoate ester; phenols
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester	[no description available]	low	0	benzoate ester; phenols
acetic acid [4-[(1-oxo-2-phenylethyl)amino]phenyl] ester	[no description available]	low	0	benzoate ester; phenols
2-hydroxy-4-methylbenzoic acid [2-(2-chloroanilino)-2-oxoethyl] ester	[no description available]	low	0	benzoate ester; phenols
2-[[2-[(2-hydroxyphenyl)-oxomethoxy]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester	[no description available]	low	0	benzoate ester; phenols
3-hydroxybenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester	[no description available]	low	0	benzoate ester; phenols
4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3-methylcyclohexyl) ester	[no description available]	low	0	methoxybenzenes; phenols
4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methoxyphenyl)methyl ester	[no description available]	low	0	methoxybenzenes; phenols
2-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile	[no description available]	low	0	methoxybenzenes; phenols
2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]acetic acid (4-acetamidophenyl) ester	[no description available]	low	0	benzoate ester; phenols
monastrol	[no description available]	low	0	enoate ester; ethyl ester; phenols; racemate; thioureas	antileishmanial agent; antimitotic; antineoplastic agent; EC 3.5.1.5 (urease) inhibitor
dezocine	[no description available]	low	0	phenols; primary amino compound	opioid analgesic
3-methoxy-4-hydroxyphenylglycol sulfate	[no description available]	low	0	alcohol; phenols
5-hydroxydiclofenac	[no description available]	low	0	dichlorobenzene; monocarboxylic acid; phenols; secondary amino compound	allergen; drug metabolite
4-hydroxyphenethylene glycol	[no description available]	low	0	phenols
5-hydroxybenzimidazole	[no description available]	low	0	benzimidazoles; phenols	bacterial metabolite; human metabolite; rat metabolite
5-(diethylsulfamoyl)-2-hydroxybenzoic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester	[no description available]	low	0	benzoate ester; phenols
n,o-didesmethylvenlafaxine	[no description available]	low	0	cyclohexanols; phenols; secondary amino compound	drug metabolite; marine xenobiotic metabolite
2-hydroxybenzoic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester	[no description available]	low	0	benzoate ester; phenols
sb 415286	[no description available]	low	0	C-nitro compound; maleimides; monochlorobenzenes; phenols; secondary amino compound; substituted aniline	antioxidant; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; neuroprotective agent
acetic acid [2-[2-acetyl-3-(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl] ester	[no description available]	low	0	benzoate ester; phenols
2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-[1-(3-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] ester	[no description available]	low	0	benzoate ester; phenols
3,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid (4-methylphenyl) ester	[no description available]	low	0	benzoate ester; phenols
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole	[no description available]	low	0	phenols; pyrazoles	estrogen receptor agonist
6-iodonordihydrocapsaicin	[no description available]	low	0	methoxybenzenes; phenols
3-(4-hydroxyphenyl)-1-propane	[no description available]	low	0	4-hydroxycinnamyl alcohol; phenols; phenylpropanoid	monolignol
mycophenolate mofetil	[no description available]	low	0	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug
isobutrin	[no description available]	low	0	beta-D-glucoside; chalcones; monosaccharide derivative; phenols	anti-inflammatory agent; hepatoprotective agent; plant metabolite
euxanthone	[no description available]	low	0	phenols; xanthones	metabolite; plant metabolite
mangostin	[no description available]	low	0	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite
swerchirin	[no description available]	low	0	aromatic ether; phenols; xanthones	hypoglycemic agent; metabolite
shogaol	[no description available]	low	0	enone; monomethoxybenzene; phenols
4-hydroxychalcone	[no description available]	low	0	chalcones; phenols	antihypertensive agent; plant metabolite
4'-hydroxychalcone	[no description available]	low	0	chalcones; phenols	anti-inflammatory agent; antineoplastic agent
olvanil	[no description available]	low	0	methoxybenzenes; phenols
n-cinnamoyltyramine	[no description available]	low	0	cinnamamides; phenols; secondary carboxamide	allelochemical; antimicrobial agent; phytoalexin; platelet aggregation inhibitor
methyl brevifolincarboxylate	[no description available]	low	0	cyclic ketone; delta-lactone; organic heterotricyclic compound; phenols	EC 5.99.1.2 (DNA topoisomerase) inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; metabolite; platelet aggregation inhibitor; radical scavenger; vasodilator agent
3-deoxysappanchalcone	[no description available]	low	0	chalcones; monomethoxybenzene; phenols	metabolite
rhamnazin	[no description available]	low	0	aromatic ether; dimethoxyflavone; phenols; trihydroxyflavone	antineoplastic agent; plant metabolite
alpha-cyano-4-hydroxycinnamic acid	[no description available]	low	0	monohydroxycinnamic acid; nitrile; phenols	MALDI matrix material
macluraxanthone b	[no description available]	low	0	phenols; xanthones	anti-HIV agent; antineoplastic agent; metabolite
flavokawain b	[no description available]	low	0	chalcones; dimethoxybenzene; phenols	anti-inflammatory agent; antileishmanial agent; antineoplastic agent; apoptosis inducer; metabolite
lichexanthone	[no description available]	low	0	aromatic ether; phenols; xanthones	plant metabolite
alternariol	[no description available]	low	0	benzochromenone; phenols	EC 3.1.1.8 (cholinesterase) inhibitor; metabolite; mycotoxin
sorbicillin	[no description available]	low	0	phenols
decussatin	[no description available]	low	0	aromatic ether; phenols; xanthones	plant metabolite
gamma-mangostin	[no description available]	low	0	phenols; xanthones	antineoplastic agent; plant metabolite; protein kinase inhibitor
1,7-dihydroxy-4-methoxyxanthone	[no description available]	low	0	aromatic ether; phenols; xanthones	metabolite; plant metabolite
resiniferatoxin	[no description available]	low	0	carboxylic ester; diterpenoid; enone; monomethoxybenzene; organic heteropentacyclic compound; ortho ester; phenols; tertiary alpha-hydroxy ketone	analgesic; neurotoxin; plant metabolite; TRPV1 agonist
flavasperone	[no description available]	low	0	aromatic ether; naphtho-gamma-pyrone; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; antiviral agent; Aspergillus metabolite; marine metabolite
su 1498	[no description available]	low	0	enamide; monocarboxylic acid amide; nitrile; phenols; secondary carboxamide	vascular endothelial growth factor receptor antagonist
n-feruloylserotonin	[no description available]	low	0	aromatic ether; cinnamamides; hydroxyindoles; phenols; secondary carboxamide	plant metabolite
tyrphostin ag825	[no description available]	low	0	aromatic ether; benzothiazoles; enamide; nitrile; organic sulfide; phenols; primary carboxamide	epidermal growth factor receptor antagonist
eupomatenoid 6	[no description available]	low	0	benzofurans; phenols	anti-inflammatory agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; NF-kappaB inhibitor; plant metabolite
7-hydroxy-2-(n-n-propyl-n-(3-iodo-2'-propenyl)-amino)tetralin	[no description available]	low	0	organoiodine compound; phenols; tertiary amino compound; tetralins	dopamine agonist
monorden	[no description available]	low	0	cyclic ketone; enone; epoxide; macrolide antibiotic; monochlorobenzenes; phenols	antifungal agent; metabolite; tyrosine kinase inhibitor
cefatrizine	[no description available]	low	0	amino acid amide; carboxylic acid; cephalosporin; phenols; semisynthetic derivative; triazoles	antibacterial drug; EC 2.7.11.20 (elongation factor 2 kinase) inhibitor
sibiromycin	[no description available]	low	0	aminoglycoside antibiotic; hemiaminal; phenols; pyrrolobenzodiazepine	antineoplastic agent; bacterial metabolite
(8)-shogaol	[no description available]	low	0	enone; monomethoxybenzene; phenols
(10)-shogaol	[no description available]	low	0	enone; monomethoxybenzene; phenols
arvanil	[no description available]	low	0	methoxybenzenes; phenols
ro 25-6981	[no description available]	low	0	benzenes; phenols; piperidines; secondary alcohol; tertiary amino compound	anticonvulsant; antidepressant; neuroprotective agent; NMDA receptor antagonist
3-tyrosine	[no description available]	low	0	hydroxyphenylalanine; L-alpha-amino acid zwitterion; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; phenols	plant metabolite
camostat	[no description available]	low	0	aromatic ether; phenols
jasplakinolide	[no description available]	low	0	cyclodepsipeptide; phenols	actin polymerisation inducer; animal metabolite; antifungal agent; antineoplastic agent; apoptosis inducer; marine metabolite; neuroprotective agent
capsiate	[no description available]	low	0	carboxylic ester; monomethoxybenzene; phenols	angiogenesis inhibitor; anti-allergic agent; anti-inflammatory agent; antioxidant; capsaicin receptor agonist; hypoglycemic agent; plant metabolite
fr 148083	[no description available]	low	0	aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone	antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor
tmc-95a	[no description available]	low	0	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; bacterial metabolite; fungal metabolite; proteasome inhibitor
topopyrone c	[no description available]	low	0	naphthochromene; p-quinones; phenols	antimicrobial agent; antineoplastic agent; antiviral agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; Penicillium metabolite
pi103	[no description available]	low	0	aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
estin	[no description available]	low	0	1-benzofurans; ether; methyl ester; organochlorine compound; oxaspiro compound; phenols	Aspergillus metabolite; Penicillium metabolite
mdl 105725	[no description available]	low	0	methoxybenzenes; phenols
ustiloxin b	[no description available]	low	0	aromatic ether; heterodetic cyclic peptide; macrocycle; phenols; secondary alcohol; secondary carboxamide; sulfoxide	Aspergillus metabolite; microtubule-destabilising agent; mycotoxin
nidulalin a	[no description available]	low	0	methyl ester; phenols; xanthones	antimicrobial agent; antineoplastic agent; Penicillium metabolite
hypothemycin	[no description available]	low	0	aromatic ether; diol; enone; epoxide; macrolide; phenols; polyketide; secondary alpha-hydroxy ketone	antifungal agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; fungal metabolite
vernakalant	[no description available]	low	0	alcohol; phenols
elloramycin	[no description available]	low	0	alpha-L-rhamnoside; carboxylic ester; enol ether; enone; methyl ester; monosaccharide derivative; phenols; tertiary alpha-hydroxy ketone; tetracenomycin	antimicrobial agent; bacterial metabolite
arachidonoylserotonin	[no description available]	low	0	N-acylserotonin; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; capsaicin receptor antagonist; EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor; human metabolite; signalling molecule
avenanthramide b	[no description available]	low	0	amidobenzoic acid; cinnamamides; monohydroxybenzoic acid; monomethoxybenzene; phenols; secondary carboxamide	antineoplastic agent; apoptosis inducer; phytoalexin
vilanterol	[no description available]	low	0	benzyl alcohols; dichlorobenzene; ether; phenols; secondary amino compound	beta-adrenergic agonist; bronchodilator agent
lactonamycin	[no description available]	low	0	gamma-lactone; organic heterohexacyclic compound; phenols; trideoxyhexose derivative	antibacterial agent; antimicrobial agent; metabolite
nigerloxin	[no description available]	low	0	aromatic ether; benzamides; benzoic acids; phenols; styrenes	antioxidant; Aspergillus metabolite; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; radical scavenger
1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one	[no description available]	low	0	diarylheptanoid; enone; phenols	plant metabolite
tmc-95b	[no description available]	low	0	indoles; lactam; macrocycle; phenols; secondary alcohol; tertiary alcohol	antimicrobial agent; antineoplastic agent; fungal metabolite; proteasome inhibitor
1,7-bis(4-hydroxyphenyl)hepta-4E-6E-dien-3-one	[no description available]	low	0	diarylheptanoid; enone; phenols	plant metabolite
cardanol	[no description available]	low	0	phenols
glyceryl ferulate	[no description available]	low	0	1-monoglyceride; aromatic ether; enoate ester; phenols	antioxidant; plant metabolite; ultraviolet filter
laurinterol	[no description available]	low	0	organobromine compound; phenols; sesquiterpenoid	antibacterial agent; apoptosis inducer; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; metabolite
10-isobutyryloxy-8,9-epoxythymol isobutyrate	[no description available]	low	0	benzoate ester; phenols
olodaterol	[no description available]	low	0	aromatic ether; benzoxazine; phenols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent
diversonol	[no description available]	low	0	phenols; tertiary alcohol	antibacterial agent; metabolite
alloin	[no description available]	low	0	anthracenes; C-glycosyl compound; cyclic ketone; phenols	laxative; metabolite
sarpagine	[no description available]	low	0	indole alkaloid; phenols; primary alcohol; secondary amino compound; tertiary amino compound
1-O-feruloyl-beta-D-glucose	[no description available]	low	0	aromatic ether; beta-D-glucoside; cinnamate ester; phenols	antioxidant; plant metabolite
ligstroside	[no description available]	low	0	beta-D-glucoside; diester; methyl ester; phenols; pyrans; secoiridoid glycoside	antineoplastic agent; plant metabolite
shamixanthone	[no description available]	low	0	cyclic ketone; phenols; pyranoxanthene	metabolite
siphonazole	[no description available]	low	0	methoxybenzenes; phenols
vx-770	[no description available]	low	0	aromatic amide; monocarboxylic acid amide; phenols; quinolone	CFTR potentiator; orphan drug
4-[[(4S)-3-[2-(1-adamantyl)ethyl]-2-amino-4,5-dihydroimidazol-4-yl]methyl]phenol	[no description available]	low	0	phenols
3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanone	[no description available]	low	0	methoxybenzenes; phenols
respirantin	[no description available]	low	0	benzamides; cyclodepsipeptide; formamides; phenols	antimicrobial agent; antineoplastic agent; metabolite
3,4-dihydroxyphenylethanol-elenolic acid dialdehyde	[no description available]	low	0	alcohol; phenols
avilamycin a	[no description available]	low	0	benzoate ester; cyclic acetal; dichlorobenzene; oligosaccharide derivative; ortho ester; oxaspiro compound; phenols; tertiary alpha-hydroxy ketone	antimicrobial agent; bacterial metabolite
cathestatin b	[no description available]	low	0	dicarboxylic acid monoamide; epoxide; monocarboxylic acid; phenols; primary amino compound	antimicrobial agent; cysteine protease inhibitor; Penicillium metabolite
bromophycolide a	[no description available]	low	0	diterpenoid; macrolide; organobromine compound; phenols; tertiary alcohol	anti-HIV agent; antibacterial agent; antifungal agent; antimalarial; antineoplastic agent; metabolite
diorcinol	[no description available]	low	0	aromatic ether; phenols	fungal metabolite; marine metabolite; metabolite
n-trans-feruloyloctopamine	[no description available]	low	0	methoxybenzenes; phenols
marinopyrrole a	[no description available]	low	0	aromatic ketone; organochlorine compound; phenols; pyrroles	antibacterial agent; antimicrobial agent; antineoplastic agent; bacterial metabolite; marine metabolite
chondramide c	[no description available]	low	0	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite
debromoaplysiatoxin	[no description available]	low	0	aplysiatoxins; cyclic hemiketal; ether; organic heterotricyclic compound; phenols; secondary alcohol; spiroketal	algal metabolite; carcinogenic agent; cyanotoxin; marine metabolite; protein kinase C agonist
(E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde	[no description available]	low	0	1-benzofurans; aldehyde; phenols	Aspergillus metabolite; Chaetomium metabolite; radical scavenger
1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one	[no description available]	low	0	diarylheptanoid; ketone; phenols	plant metabolite
hordatine a	[no description available]	low	0	aromatic ether; benzofurans; dicarboxylic acid diamide; guanidines; phenols	adrenergic antagonist; metabolite
chondramide a	[no description available]	low	0	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite
quinolobactin	[no description available]	low	0	aromatic ether; monohydroxyquinoline; phenols; quinolinemonocarboxylic acid	bacterial metabolite; siderophore
ilicicolin h	[no description available]	low	0	aromatic ketone; carbobicyclic compound; ilicicolin; monohydroxypyridine; octahydronaphthalenes; phenols; pyridone	antimicrobial agent; mitochondrial respiratory-chain inhibitor
naloxegol	[no description available]	low	0	aromatic ether; organic heteropentacyclic compound; phenols; polyether; tertiary alcohol	cathartic; mu-opioid receptor antagonist
fertaric acid	[no description available]	low	0	aromatic ether; cinnamate ester; dicarboxylic acid; phenols; tetraric acid derivative
callipeltin a	[no description available]	low	0	cyclodepsipeptide; guanidines; lactone; oligopeptide; phenols	anti-HIV-1 agent; antifungal agent; metabolite
opt 80	[no description available]	low	0	carboxylic ester; glycoside; macrolide antibiotic; organochlorine compound; phenols	antibacterial drug; bacterial metabolite; EC 2.7.7.6 (RNA polymerase) inhibitor
brasilicardin a	[no description available]	low	0	benzoate ester; carbotricyclic compound; diterpenoid; N-acetyl-D-glucosaminide; non-proteinogenic alpha-amino acid; phenols	antimicrobial agent; antineoplastic agent; bacterial metabolite; immunosuppressive agent
ML355	[no description available]	low	0	benzothiazoles; monomethoxybenzene; phenols; secondary amino compound; substituted aniline; sulfonamide	EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; platelet aggregation inhibitor
acarbose	[no description available]	low	0	chondramide; indoles; organochlorine compound; phenols	antineoplastic agent; bacterial metabolite
pf-06687252	[no description available]	low	0	azabicycloalkane; enone; phenols; pyridines
chondramide d	[no description available]	low	0	chondramide; indoles; phenols	antineoplastic agent; bacterial metabolite
biliatresone	[no description available]	low	0	aromatic ether; aromatic ketone; benzodioxoles; enone; phenols	plant metabolite; toxin
can 508	[no description available]	low	0	aromatic amine; monoazo compound; phenols; pyrazoles	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
nu 1025	[no description available]	low	0	phenols; quinazolines	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
quininib	[no description available]	low	0	phenols; styrylquinoline	angiogenesis inhibitor
pp242	[no description available]	low	0	aromatic amine; biaryl; hydroxyindoles; phenols; primary amino compound; pyrazolopyrimidine	antineoplastic agent; mTOR inhibitor
dehydroluciferin	[no description available]	low	0	1,3-thiazolemonocarboxylic acid; benzothiazoles; biaryl; phenols	animal metabolite; luciferin
sotorasib	[no description available]	low	0	acrylamides; methylpyridines; monofluorobenzenes; N-acylpiperazine; phenols; pyridopyrimidine; tertiary amino compound; tertiary carboxamide	antineoplastic agent
tilimycin	[no description available]	low	0	phenols; pyrrolobenzodiazepine	alkylating agent; apoptosis inducer; bacterial metabolite; toxin

Article	Year
Mitochondrial protein adducts formation and mitochondrial dysfunction during N-acetyl-m-aminophenol (AMAP)-induced hepatotoxicity in primary human hepatocytes. Toxicology and applied pharmacology, Dec-01, Volume: 289, Issue: 2	2015
Developing structure-activity relationships for the prediction of hepatotoxicity. Chemical research in toxicology, Jul-19, Volume: 23, Issue: 7	2010
Cellular apoptosis and cytotoxicity of phenolic compounds: a quantitative structure-activity relationship study. Journal of medicinal chemistry, Nov-17, Volume: 48, Issue: 23	2005
The pharmacology and toxicology of meta-substituted acetanilide I: acute toxicity of 3-hydroxyacetanilide in mice. Research communications in chemical pathology and pharmacology, Volume: 28, Issue: 3	1980
Comparative cytotoxic effects of acetaminophen (N-acetyl-p-aminophenol), a non-hepatotoxic regioisomer acetyl-m-aminophenol and their postulated reactive hydroquinone and quinone metabolites in monolayer cultures of mouse hepatocytes. Biochemical pharmacology, Aug-08, Volume: 42, Issue: 5	1991
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

3-hydroxyacetanilide

Description

Cross-References

Synonyms (112)

Roles (1)

Drug Classes (2)

Protein Targets (19)

Potency Measurements

Inhibition Measurements

Activation Measurements

Other Measurements

Biological Processes (32)

Molecular Functions (21)

Ceullar Components (5)

Bioassays (88)

Research

Studies (50)

Study Types

Research Highlights

Safety/Toxicity (5)

Bioavailability (2)

Dosage (4)

Condition	Relationship Strength	Studies
Ache	low	1
Acute Liver Injury, Drug-Induced	low	5
Allergy, Drug	low	1
Anemia, Fanconi	low	1
Benign Neoplasms	low	1
Cancer	low	1
Cancer of Liver	low	1
Cancer of the Liver	low	1
Cancer, Hepatocellular	low	1
Chemical and Drug Induced Liver Injury	low	5
Chemically-Induced Liver Toxicity	low	5
Congenital Zika Syndrome	low	1
Congenital Zika Virus Infection	low	1
Disease Models, Animal	low	1
Drug Allergy	low	1
Drug Hypersensitivity	low	1
Drug-Induced Acute Liver Injury	low	5
Drug-Induced Liver Disease	low	5
Drug-Induced Liver Injury	low	5
Encephalitis, Polio	low	1
Epidemic Acute Poliomyelitis	low	1
Experimental Mammary Neoplasms	low	1
Experimental Neoplasms	low	1
Fanconi Anemia	low	1
Fanconi Hypoplastic Anemia	low	1
Fanconi Pancytopenia	low	1
Fanconi Panmyelopathy	low	1
Fanconi's Anemia	low	1
Fever, Zika	low	1
Glial Cell Tumors	low	1
Glioma	low	1
Hepatic Cancer	low	1
Hepatic Neoplasms	low	1
Hepatitis, Drug-Induced	low	5
Hepatitis, Toxic	low	5
Hepatocellular Cancer	low	1
Hypersensitivity, Drug	low	1
Infantile Paralysis	low	1
Inflammation	low	1
Innate Inflammatory Response	low	1
Liver Cancer	low	1
Liver Injury, Drug-Induced	low	5
Liver Injury, Drug-Induced, Acute	low	5
Liver Neoplasms	low	1
Malignancy	low	1
Malignant Glioma	low	1
Malignant Neoplasms	low	1
Mammary Neoplasms, Experimental	low	1
Mixed Glioma	low	1
Neoplasia	low	1
Neoplasm	low	1
Neoplasms	low	1
Neoplasms, Benign	low	1
Neoplasms, Experimental	low	1
Neoplasms, Experimental Mammary	low	1
Neoplasms, Hepatic	low	1
Neoplasms, Liver	low	1
Pain	low	1
Pain, Burning	low	1
Pain, Crushing	low	1
Pain, Migratory	low	1
Pain, Radiating	low	1
Pain, Splitting	low	1
Polio	low	1
Polio Encephalitis	low	1
Poliomyelitis	low	1
Poliomyelitis Infection	low	1
Poliomyelitis, Acute	low	1
Poliomyelitis, Nonpoliovirus	low	1
Poliomyelitis, Preparalytic	low	1
Pregnancy	low	1
Suffering, Physical	low	1
Toxic Hepatitis	low	5
Tumors	low	1
Zika Fever	low	1
Zika Virus Disease	low	1
Zika Virus Infection	low	1
ZikV Infection	low	1

Article	Year
Oral exposure to drugs with immune-adjuvant potential induces hypersensitivity responses to the reporter antigen TNP-OVA. Toxicological sciences : an official journal of the Society of Toxicology, Volume: 121, Issue: 2	2011
The pharmacology and toxicology of meta-substituted acetanilide I: acute toxicity of 3-hydroxyacetanilide in mice. Research communications in chemical pathology and pharmacology, Volume: 28, Issue: 3	1980
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

3-hydroxyacetanilide

Description

Cross-References

Synonyms (112)

Roles (1)

Drug Classes (2)

Protein Targets (19)

Potency Measurements

Inhibition Measurements

Activation Measurements

Other Measurements

Biological Processes (32)

Molecular Functions (21)

Ceullar Components (5)

Bioassays (88)

Research

Studies (50)

Study Types

Related Drugs (1,172)

Related Conditions (78)

Research Highlights

Safety/Toxicity (5)

Bioavailability (2)

Dosage (4)