climbazole profile

1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one : A ketone that is butan-2-one substituted by a 4-chlorophenoxy and a 1H-imidazol-1-yl group at position 1 and 2 methyl groups at position 3. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

ID Source	ID
PubMed CID	37907
CHEMBL ID	1437764
CHEBI ID	83719
SCHEMBL ID	39729
MeSH ID	M0281379

Synonym
climbazol [inn-spanish]
baysan
climbazol
brn 0618020
2-butanone, 1-(4-chlorophenoxy)-1-(1h-imidazol-1-yl)-3,3-dimethyl-
1-(p-chlorophenoxy)-3,3-dimethyl-1-(1-imidazolyl)-2-butanone
climbazolum [inn-latin]
bay-e 6975
einecs 253-775-4
1-(p-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethyl-2-butanone
1-(4-chlorophenoxy)-1-(imidazol-1-yl)-3,3-dimethylbutanone
baypival
2-butanone, 1-(p-chlorophenoxy)-3,3-dimethyl-1-(1-imidazolyl)-
bay e-6975
meb-6401
climbazole ,
NCGC00166153-01
HMS2090O13
AC-272
1-(4-chlorophenoxy)-1-(imidazol-1-yl)-3,3-dimethyl-2-butanone
38083-17-9
C2025
1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one
FT-0655760
owegwhbocfmblp-uhfffaoysa-
inchi=1/c15h17cln2o2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14h,1-3h3
1-(4-chlorophenoxy)-1-(1h-imidazol-1-yl)-3,3-dimethylbutan-2-one
cas-38083-17-9
tox21_112343
dtxcid4026555
dtxsid6046555 ,
A824009
1-(4-chlorophenoxy)-1-(1-imidazolyl)-3,3-dimethyl-2-butanone
1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one
nsc759808
nsc-759808
pharmakon1600-01504833
MLS004773943
smr001550495
S4178
climbazolum
climbazole [inn:ban]
nsc 759808
ccris 8169
meb 6401
unii-9n42cw7i54
9n42cw7i54 ,
bay e 6975
ec 253-775-4
5-23-04-00209 (beilstein handbook reference)
1-(4-chlorophenoxy)-1-(1h-imidazol-1-yl)-3,3-dimethyl-2-butanone
FT-0624097
AKOS015895513
crinipan ad
CHEMBL1437764
chebi:83719 ,
(rs)-1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one
climbazole [usp-rs]
climbazole [inn]
climbazole [who-dd]
climbazole [mart.]
climbazole [inci]
CCG-213958
DL-358
1-(4-chlorophenoxy)-3,3-dimethyl-1-(imidazol-1-yl)-butan-2-one
1-(4-chlorophenoxy)-1-(imidazol-1-yl)-3,3-dimethylbutan-2-one
SCHEMBL39729
tox21_112343_1
NCGC00166153-02
KS-5112
AB01275501-01
CS-4675
tox21 112343
AO-295/40848554
Q-100974
HY-B1151
AB01275501_02
AB01275501_03
mfcd00055505
us9144538, climbazole
bdbm181112
us9138393, climbazole
1-(4-clorophenoxy)-3,3-dimethyl-1-(imidazole-1-yl)-2-butanone
SR-05000001501-1
sr-05000001501
climbazole, united states pharmacopeia (usp) reference standard
climbazole, pestanal(r), analytical standard
HMS3652P05
climbazole 10 microg/ml in cyclohexane
NCGC00166153-03
1-(4-chlorophenoxy)-3,3-dimethyl-1-(imidazole-1-yl)-2-butanone
SW219213-1
FT-0665095
Q629373
1-naphthylaceticanhydride
DB15580
BRD-A61676498-001-01-7
HMS3744O15
H10384

Excerpt	Reference
"Climbazole (CBZ) is an antibacterial and antifungal agent widely used in personal care products. "	( Pan, CG; Peng, FJ; Ying, GG, 2018)
"Climbazole is an antifungal active ingredient used in personal care products. "	( Cai, Z; Chen, ZF; Liu, G; Qi, Z; Wei, WW; Yan, SC; Zhang, H, 2019)
"Climbazole acts as a C14-demethylase inhibitor (DMI) fungicide and thus has a high efficacy against fungi, but knowledge of its potential environmental impact is lacking."	( Coors, A; Richter, E; Ternes, TA; Wick, A, 2013)
"Climbazole is an antidandruff active ingredient commonly used in personal care products, but little is known about its environmental fate. "	( Chen, ZF; Liu, WR; Liu, YS; Ying, GG; Zhang, QQ; Zhao, JL, 2015)
"Climbazole is an imidazole antifungal agent that can provide anti-dandruff benefits when incorporated into a shampoo matrix. "	( Aardema, MJ; Hu, T; Nash, JF; Pérez-Rivera, AA, 2009)
"Climbazole is an antimycotic agent with a high in vitro and in vivo efficacy against P."	( Elsner, P; Kluge, K; Wigger-Alberti, W, 2001)

Excerpt	Reference
"Climbazole (CZ) has been known to persist in various environmental media, and may cause potential risks to aquatic organisms. "	( Hu, LX; Liang, YQ; Liu, WR; Liu, YS; Tian, F; Yao, L; Ying, GG; Zhao, JL, 2016)

Excerpt	Reference
"A climbazole-driven increase in cornified envelope proteins may improve the scalp skin barrier, which is known to be weaker in dandruff."	( Barrett, KE; Jones, DA; Lim, FL; Moore, AE; Pople, JE; Talbot, DC, 2014)

Excerpt	Reference
"Climbazole treatment of primary keratinocytes results in an upregulation in expression of a number of genes including those encoding proteins involved in cornified envelope formation with further studies demonstrating this did translate into increased protein expression. "	( Barrett, KE; Jones, DA; Lim, FL; Moore, AE; Pople, JE; Talbot, DC, 2014)

Class	Description
monochlorobenzenes	Any member of the class of chlorobenzenes containing a mono- or poly-substituted benzene ring in which only one substituent is chlorine.
imidazoles	A five-membered organic heterocycle containing two nitrogen atoms at positions 1 and 3, or any of its derivatives; compounds containing an imidazole skeleton.
aromatic ether	Any ether in which the oxygen is attached to at least one aryl substituent.
ketone	A compound in which a carbonyl group is bonded to two carbon atoms: R2C=O (neither R may be H).
hemiaminal ether	An organic amino compound that is a hemiaminal in which the hydrogen atom of the hydroxy group has been replaced by an organyl group. General formula: R2C(OR')NR2 ( R =/= H ). Also known as alpha-amino ethers.
[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)
RAR-related orphan receptor gamma	Mus musculus (house mouse)	Potency	30.0474	0.0060	38.0041	19,952.5996	AID1159521; AID1159523
TDP1 protein	Homo sapiens (human)	Potency	18.0496	0.0008	11.3822	44.6684	AID686978; AID686979
GLI family zinc finger 3	Homo sapiens (human)	Potency	10.5909	0.0007	14.5928	83.7951	AID1259392
AR protein	Homo sapiens (human)	Potency	29.4115	0.0002	21.2231	8,912.5098	AID1259243; AID743063
estrogen receptor 2 (ER beta)	Homo sapiens (human)	Potency	21.1317	0.0006	57.9133	22,387.1992	AID1259378
nuclear receptor subfamily 1, group I, member 3	Homo sapiens (human)	Potency	4.1392	0.0010	22.6508	76.6163	AID1224838; AID1224893
progesterone receptor	Homo sapiens (human)	Potency	23.7101	0.0004	17.9460	75.1148	AID1346795
cytochrome P450 family 3 subfamily A polypeptide 4	Homo sapiens (human)	Potency	0.6570	0.0123	7.9835	43.2770	AID1346984; AID1645841
estrogen-related nuclear receptor alpha	Homo sapiens (human)	Potency	29.6763	0.0015	30.6073	15,848.9004	AID1224841; AID1224848; AID1224849; AID1259401; AID1259403
pregnane X nuclear receptor	Homo sapiens (human)	Potency	19.7795	0.0054	28.0263	1,258.9301	AID1346982; AID1346985
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	0.0674	0.0002	29.3054	16,493.5996	AID743069
G	Vesicular stomatitis virus	Potency	2.7540	0.0123	8.9648	39.8107	AID1645842
cytochrome P450 2D6	Homo sapiens (human)	Potency	17.3768	0.0010	8.3798	61.1304	AID1645840
peroxisome proliferator activated receptor gamma	Homo sapiens (human)	Potency	30.1065	0.0010	19.4141	70.9645	AID743094
aryl hydrocarbon receptor	Homo sapiens (human)	Potency	19.3351	0.0007	23.0674	1,258.9301	AID743085; AID743122
cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_a	Homo sapiens (human)	Potency	11.8832	0.0017	23.8393	78.1014	AID743083
thyroid stimulating hormone receptor	Homo sapiens (human)	Potency	25.1567	0.0016	28.0151	77.1139	AID1224843; AID1224895
nuclear receptor subfamily 1, group I, member 2	Rattus norvegicus (Norway rat)	Potency	12.5893	0.1000	9.1916	31.6228	AID1346983
potassium voltage-gated channel subfamily H member 2 isoform d	Homo sapiens (human)	Potency	35.4813	0.0178	9.6374	44.6684	AID588834
heat shock protein beta-1	Homo sapiens (human)	Potency	28.8079	0.0420	27.3789	61.6448	AID743210; AID743228
peripheral myelin protein 22	Rattus norvegicus (Norway rat)	Potency	2.0315	0.0056	12.3677	36.1254	AID624032
Interferon beta	Homo sapiens (human)	Potency	2.7540	0.0033	9.1582	39.8107	AID1645842
HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)	Potency	2.7540	0.0123	8.9648	39.8107	AID1645842
Inositol hexakisphosphate kinase 1	Homo sapiens (human)	Potency	2.7540	0.0123	8.9648	39.8107	AID1645842
cytochrome P450 2C9, partial	Homo sapiens (human)	Potency	2.7540	0.0123	8.9648	39.8107	AID1645842
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell activation involved in immune response	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to virus	Interferon beta	Homo sapiens (human)
positive regulation of autophagy	Interferon beta	Homo sapiens (human)
cytokine-mediated signaling pathway	Interferon beta	Homo sapiens (human)
natural killer cell activation	Interferon beta	Homo sapiens (human)
positive regulation of peptidyl-serine phosphorylation of STAT protein	Interferon beta	Homo sapiens (human)
cellular response to interferon-beta	Interferon beta	Homo sapiens (human)
B cell proliferation	Interferon beta	Homo sapiens (human)
negative regulation of viral genome replication	Interferon beta	Homo sapiens (human)
innate immune response	Interferon beta	Homo sapiens (human)
positive regulation of innate immune response	Interferon beta	Homo sapiens (human)
regulation of MHC class I biosynthetic process	Interferon beta	Homo sapiens (human)
negative regulation of T cell differentiation	Interferon beta	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Interferon beta	Homo sapiens (human)
defense response to virus	Interferon beta	Homo sapiens (human)
type I interferon-mediated signaling pathway	Interferon beta	Homo sapiens (human)
neuron cellular homeostasis	Interferon beta	Homo sapiens (human)
cellular response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
cellular response to virus	Interferon beta	Homo sapiens (human)
negative regulation of Lewy body formation	Interferon beta	Homo sapiens (human)
negative regulation of T-helper 2 cell cytokine production	Interferon beta	Homo sapiens (human)
positive regulation of apoptotic signaling pathway	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell differentiation	Interferon beta	Homo sapiens (human)
natural killer cell activation involved in immune response	Interferon beta	Homo sapiens (human)
adaptive immune response	Interferon beta	Homo sapiens (human)
T cell activation involved in immune response	Interferon beta	Homo sapiens (human)
humoral immune response	Interferon beta	Homo sapiens (human)
positive regulation of T cell mediated cytotoxicity	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
adaptive immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-independent	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of T cell anergy	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
defense response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
detection of bacterium	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of interleukin-12 production	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of interleukin-6 production	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protection from natural killer cell mediated cytotoxicity	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
innate immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of dendritic cell differentiation	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class Ib	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
inositol phosphate metabolic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
phosphatidylinositol phosphate biosynthetic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
negative regulation of cold-induced thermogenesis	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol phosphate biosynthetic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
cytokine activity	Interferon beta	Homo sapiens (human)
cytokine receptor binding	Interferon beta	Homo sapiens (human)
type I interferon receptor binding	Interferon beta	Homo sapiens (human)
protein binding	Interferon beta	Homo sapiens (human)
chloramphenicol O-acetyltransferase activity	Interferon beta	Homo sapiens (human)
TAP binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
signaling receptor binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protein binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
peptide antigen binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
TAP binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protein-folding chaperone binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
inositol-1,3,4,5,6-pentakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol heptakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 5-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
protein binding	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
ATP binding	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 1-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 3-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol 5-diphosphate pentakisphosphate 5-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol diphosphate tetrakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
extracellular space	Interferon beta	Homo sapiens (human)
extracellular region	Interferon beta	Homo sapiens (human)
Golgi membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
endoplasmic reticulum	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
Golgi apparatus	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
plasma membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
cell surface	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
ER to Golgi transport vesicle membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
secretory granule membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
phagocytic vesicle membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
early endosome membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
recycling endosome membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular exosome	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
lumenal side of endoplasmic reticulum membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
MHC class I protein complex	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular space	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
external side of plasma membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
fibrillar center	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
nucleoplasm	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
cytosol	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
nucleus	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
cytoplasm	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
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.
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.
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.
AID1745845	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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
AID1508612	NCATS Parallel Artificial Membrane Permeability Assay (PAMPA) Profiling	2017	Bioorganic & medicinal chemistry, 02-01, Volume: 25, Issue:3	Highly predictive and interpretable models for PAMPA permeability.
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.
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.
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.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
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.
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.
AID1508591	NCATS Rat Liver Microsome Stability Profiling	2020	Scientific reports, 11-26, Volume: 10, Issue:1	Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
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.
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.
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.
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.
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.
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.
AID1347159	Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay	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.
AID1347160	Primary screen NINDS Rhodamine 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.
AID1645848	NCATS Kinetic Aqueous Solubility Profiling	2019	Bioorganic & medicinal chemistry, 07-15, Volume: 27, Issue:14	Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
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.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	2 (3.64)	18.2507
2000's	5 (9.09)	29.6817
2010's	34 (61.82)	24.3611
2020's	14 (25.45)	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	5 (9.09%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	50 (90.91%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Description	Relationhip Strength	Studies	Trials	Classes	Roles
b 844-39	[no description available]	medium	1	0	diarylmethane
pk 11195	[no description available]	medium	3	0	aromatic amide; isoquinolines; monocarboxylic acid amide; monochlorobenzenes	antineoplastic agent
jtv519	[no description available]	medium	3	0
alprazolam	[no description available]	medium	3	0	organochlorine compound; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic
dan 2163	[no description available]	medium	3	0	aromatic amide; aromatic amine; benzamides; pyrrolidines; sulfone	environmental contaminant; second generation antipsychotic; xenobiotic
amlexanox	[no description available]	medium	3	0	monocarboxylic acid; pyridochromene	anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug
astemizole	[no description available]	medium	3	0	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
benzbromarone	[no description available]	medium	3	0	1-benzofurans; aromatic ketone	uricosuric drug
bisindolylmaleimide i	[no description available]	medium	3	0
bufexamac	[no description available]	medium	3	0	aromatic ether; hydroxamic acid	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
cadralazine	[no description available]	medium	3	0	organic molecular entity
chlorcyclizine	[no description available]	medium	3	0	diarylmethane
ci 994	[no description available]	medium	3	0	acetamides; benzamides; substituted aniline	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor
cyclosporine	[no description available]	medium	2	0
fenbendazole	[no description available]	medium	3	0	aryl sulfide; benzimidazoles; carbamate ester	antinematodal drug
berotek	[no description available]	medium	1	0	resorcinols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent; tocolytic agent
go 6976	[no description available]	medium	3	0	indolocarbazole; organic heterohexacyclic compound	EC 2.7.11.13 (protein kinase C) inhibitor
haloperidol	[no description available]	medium	3	0	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
homochlorocyclizine	[no description available]	medium	3	0	diarylmethane
hydroxyzine	[no description available]	medium	3	0	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist
ifenprodil	[no description available]	medium	3	0	piperidines
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone	[no description available]	medium	3	0	naphthalenes
ketamine	[no description available]	medium	3	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
ketoprofen	[no description available]	medium	3	0	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
mebendazole	[no description available]	medium	3	0	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator
mephenesin	[no description available]	medium	3	0	aromatic ether; glycerol ether
niclosamide	[no description available]	medium	3	0	benzamides; C-nitro compound; monochlorobenzenes; salicylanilides; secondary carboxamide	anthelminthic drug; anticoronaviral agent; antiparasitic agent; apoptosis inducer; molluscicide; piscicide; STAT3 inhibitor
oxibendazole	[no description available]	medium	3	0	benzimidazoles; carbamate ester
4-(2'-methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine	[no description available]	medium	3	0
perphenazine	[no description available]	medium	3	0	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug
pimobendan	[no description available]	medium	3	0	benzimidazoles; pyridazinone	cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
ag 1879	[no description available]	medium	3	0	aromatic amine; monochlorobenzenes; pyrazolopyrimidine	beta-adrenergic antagonist; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one	[no description available]	medium	2	0	indoles
ro 31-8220	[no description available]	medium	3	0	imidothiocarbamic ester; indoles; maleimides	EC 2.7.11.13 (protein kinase C) inhibitor
ropinirole	[no description available]	medium	3	0	indolones; tertiary amine	antidyskinesia agent; antiparkinson drug; central nervous system drug; dopamine agonist
vorinostat	[no description available]	medium	3	0	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor
2-[4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine	[no description available]	medium	2	0	stilbenoid
trifluperidol	[no description available]	medium	1	0	aromatic ketone
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole	[no description available]	medium	3	0	aromatic primary alcohol; furans; indazoles	antineoplastic agent; apoptosis inducer; platelet aggregation inhibitor; soluble guanylate cyclase activator; vasodilator agent
zotepine	[no description available]	medium	3	0	dibenzothiepine; tertiary amino compound	alpha-adrenergic drug; second generation antipsychotic; serotonergic drug
colchicine	[no description available]	medium	3	0	alkaloid; colchicine	anti-inflammatory agent; gout suppressant; mutagen
benziodarone	[no description available]	medium	3	0	aromatic ketone
trehalose	[no description available]	medium	3	0	trehalose	Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
triclocarban	[no description available]	medium	4	0	dichlorobenzene; monochlorobenzenes; phenylureas	antimicrobial agent; antiseptic drug; disinfectant; environmental contaminant; xenobiotic
4-tert-octylphenol	[no description available]	medium	3	0	alkylbenzene
ethamivan	[no description available]	medium	3	0	methoxybenzenes; phenols
methysergide	[no description available]	medium	3	0	ergoline alkaloid
emetine	[no description available]	medium	3	0	isoquinoline alkaloid; pyridoisoquinoline	antiamoebic agent; anticoronaviral agent; antiinfective agent; antimalarial; antineoplastic agent; antiprotozoal drug; antiviral agent; autophagy inhibitor; emetic; expectorant; plant metabolite; protein synthesis inhibitor
podophyllotoxin	[no description available]	medium	3	0	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator
etonitazene	[no description available]	medium	3	0
clothiapine	[no description available]	medium	3	0	dibenzothiazepine
benperidol	[no description available]	medium	3	0	aromatic ketone
7-hydroxychlorpromazine	[no description available]	medium	3	0	phenothiazines
camptothecin	[no description available]	medium	3	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
thenalidine	[no description available]	medium	3	0	dialkylarylamine; tertiary amino compound
bromocriptine	[no description available]	medium	3	0	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist
dexchlorpheniramine	[no description available]	medium	3	0	chlorphenamine
dv 1006	[no description available]	medium	3	0
triadimenol	[no description available]	medium	3	0	aromatic ether; conazole fungicide; hemiaminal ether; monochlorobenzenes; secondary alcohol; triazole fungicide	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; xenobiotic metabolite
amonafide	[no description available]	medium	3	0	isoquinolines
flupirtine	[no description available]	medium	3	0	aminopyridine
chaetochromin	[no description available]	medium	3	0
enoximone	[no description available]	medium	3	0	aromatic ketone
aripiprazole	[no description available]	medium	3	0	aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone	drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist
indocate	[no description available]	medium	3	0
N(4)-acetylsulfathiazole	[no description available]	medium	3	0	1,3-thiazoles; acetamides; sulfonamide	marine xenobiotic metabolite
cyclizine hydrochloride	[no description available]	medium	2	0
2,3-trimethylene-4-quinazolone	[no description available]	medium	3	0	quinazolines
1,3-dimethyluric acid	[no description available]	medium	3	0	oxopurine	metabolite
danofloxacin	[no description available]	medium	3	0	quinolines
nitrefazole	[no description available]	medium	3	0	imidazoles
methotrimeprazine	[no description available]	medium	3	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
honokiol	[no description available]	medium	3	0	biphenyls
9-methoxyellipticine	[no description available]	medium	3	0
3-aminophenoxazone	[no description available]	medium	3	0	phenoxazine
3-deazaneplanocin	[no description available]	medium	3	0
tryptanthrine	[no description available]	medium	3	0	alkaloid antibiotic; organic heterotetracyclic compound; organonitrogen heterocyclic compound
2-chlorodiazepam	[no description available]	medium	3	0
Polycartine B	[no description available]	medium	3	0	phenazines
aminoquinuride dihydrochloride	[no description available]	medium	3	0
thioproperazine mesylate	[no description available]	medium	3	0	phenothiazines
n(6)-(delta(2)-isopentenyl)adenine	[no description available]	medium	3	0	6-isopentenylaminopurine	cytokinin
4-methyl-N-(phenylmethyl)benzenesulfonamide	[no description available]	medium	3	0	sulfonamide
sr141716	[no description available]	medium	3	0	amidopiperidine; carbohydrazide; dichlorobenzene; monochlorobenzenes; pyrazoles	anti-obesity agent; appetite depressant; CB1 receptor antagonist
(6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide	[no description available]	medium	2	0	aromatic ketone
fingolimod	[no description available]	medium	3	0	aminodiol; primary amino compound	antineoplastic agent; CB1 receptor antagonist; immunosuppressive agent; prodrug; sphingosine-1-phosphate receptor agonist
tesmilifene	[no description available]	medium	3	0	diarylmethane
sr 27897	[no description available]	medium	3	0	indolyl carboxylic acid
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine	[no description available]	medium	3	0	leucine derivative
norketamine	[no description available]	medium	3	0	organochlorine compound
methotrexate	[no description available]	medium	3	0	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
4-diethoxyphosphorylmethyl-n-(4-bromo-2-cyanophenyl)benzamide	[no description available]	medium	3	0
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide	[no description available]	medium	3	0	phenylindole
l 741626	[no description available]	medium	3	0	piperidines
dx 8951	[no description available]	medium	3	0	pyranoindolizinoquinoline
tipifarnib	[no description available]	medium	3	0	imidazoles; monochlorobenzenes; primary amino compound; quinolone	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor
cyc 202	[no description available]	medium	3	0	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
avasimibe	[no description available]	medium	3	0	monoterpenoid
l 163191	[no description available]	medium	3	0
dizocilpine	[no description available]	medium	3	0	secondary amino compound; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
s-benzylcysteine	[no description available]	medium	3	0	S-aryl-L-cysteine zwitterion
chelidonine	[no description available]	medium	3	0	alkaloid antibiotic; alkaloid fundamental parent; benzophenanthridine alkaloid
lapatinib	[no description available]	medium	3	0	furans; organochlorine compound; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
roxindole	[no description available]	medium	3	0	indoles	alpha-adrenergic antagonist; serotonergic drug
conidendrin	[no description available]	medium	3	0
Porfiromycine	[no description available]	medium	3	0	mitomycin
nsc 95397	[no description available]	medium	3	0	1,4-naphthoquinones
4-methyl-2-quinazolinamine	[no description available]	medium	3	0
2-glycineamide-5-chlorophenyl-2-pyrryl ketone	[no description available]	medium	3	0
2,5-bis(5-hydroxymethyl-2-thienyl)furan	[no description available]	medium	3	0	thiophenes
ritonavir	[no description available]	medium	3	0	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic
Destruxin B	[no description available]	medium	3	0	cyclodepsipeptide
tosylphenylalanyl chloromethyl ketone	[no description available]	medium	3	0	alpha-chloroketone; sulfonamide	alkylating agent; serine proteinase inhibitor
2'-c-methylcytidine	[no description available]	medium	3	0
jp-1302	[no description available]	medium	3	0
7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one	[no description available]	medium	3	0	benzodiazepine
tenatoprazole	[no description available]	medium	3	0	imidazopyridine
s 1033	[no description available]	medium	3	0	(trifluoromethyl)benzenes; imidazoles; pyridines; pyrimidines; secondary amino compound; secondary carboxamide	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
5-[(2-fluoroanilino)methyl]-8-quinolinol	[no description available]	medium	3	0	hydroxyquinoline
benidipine hydrochloride	[no description available]	medium	2	0
2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one	[no description available]	medium	3	0	quinazolines
chlorprothixene	[no description available]	medium	3	0	chlorprothixene
jrf 12	[no description available]	medium	3	0
5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester	[no description available]	medium	3	0	methoxybenzenes; substituted aniline
3-hydroxypyridine, sodium salt	[no description available]	medium	3	0
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide	[no description available]	medium	3	0	naphthalenecarboxamide
5-[(2-bromoanilino)methyl]-8-quinolinol	[no description available]	medium	3	0	hydroxyquinoline
3-amino-n-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide	[no description available]	medium	3	0
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline	[no description available]	medium	3	0	aromatic amine
1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinecarboxamide	[no description available]	medium	3	0	piperidinecarboxamide
5-[[2-(trifluoromethyl)anilino]methyl]-8-quinolinol	[no description available]	medium	3	0	hydroxyquinoline
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide	[no description available]	medium	3	0	acetamides; anilide
5-bromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide	[no description available]	medium	3	0	aromatic amide; thiophenes
6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-4-pyrimidinone	[no description available]	medium	3	0	dimethoxybenzene
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide	[no description available]	medium	3	0	aromatic amide
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide	[no description available]	medium	3	0	aromatic ether
3-chloro-1-(2,5-dimethoxyphenyl)-4-(1-piperidinyl)pyrrole-2,5-dione	[no description available]	medium	3	0	maleimides
Src Inhibitor-1	[no description available]	medium	3	0	aromatic ether; polyether; quinazolines; secondary amino compound	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one	[no description available]	medium	3	0	dimethoxybenzene
2-phenyl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide	[no description available]	medium	3	0	quinolines
3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine	[no description available]	medium	3	0	pyrroles
bi-78d3	[no description available]	medium	3	0	aryl sulfide
kartogenin	[no description available]	medium	3	0
vx-745	[no description available]	medium	3	0	aryl sulfide; dichlorobenzene; difluorobenzene; pyrimidopyridazine	anti-inflammatory drug; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
dasatinib	[no description available]	medium	3	0	1,3-thiazoles; aminopyrimidine; monocarboxylic acid amide; N-(2-hydroxyethyl)piperazine; N-arylpiperazine; organochlorine compound; secondary amino compound; tertiary amino compound	anticoronaviral agent; antineoplastic agent; tyrosine kinase inhibitor
zd 6474	[no description available]	medium	3	0	aromatic ether; organobromine compound; organofluorine compound; piperidines; quinazolines; secondary amine	antineoplastic agent; tyrosine kinase inhibitor
nih-12848	[no description available]	medium	3	0
2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide	[no description available]	medium	3	0	quinazolines
[1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone	[no description available]	medium	3	0	benzimidazoles
2-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzonitrile	[no description available]	medium	3	0	imidazopyridine
3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one	[no description available]	medium	3	0	aromatic ketone
4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester	[no description available]	medium	3	0	oxopurine
N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester	[no description available]	medium	3	0	organonitrogen compound; organosulfur compound
6-bromo-2-(4-methylphenyl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide	[no description available]	medium	3	0	quinolines
LSM-1924	[no description available]	medium	3	0	organic heterotricyclic compound; organooxygen compound
ferrostatin-1	[no description available]	medium	3	0	ethyl ester; primary arylamine; substituted aniline	antifungal agent; antioxidant; ferroptosis inhibitor; neuroprotective agent; radiation protective agent; radical scavenger
6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine	[no description available]	medium	3	0	C-nitro compound
ncgc00099374	[no description available]	medium	3	0
2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide	[no description available]	medium	3	0	benzamides
luteolin	[no description available]	medium	3	0	3'-hydroxyflavonoid; tetrahydroxyflavone	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; c-Jun N-terminal kinase inhibitor; EC 2.3.1.85 (fatty acid synthase) inhibitor; immunomodulator; nephroprotective agent; plant metabolite; radical scavenger; vascular endothelial growth factor receptor antagonist
kaempferol	[no description available]	medium	3	0	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite
genistein	[no description available]	medium	3	0	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
mycophenolate mofetil	[no description available]	medium	3	0	carboxylic ester; ether; gamma-lactone; phenols; tertiary amino compound	anticoronaviral agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; immunosuppressive agent; prodrug
bruceantin	[no description available]	medium	3	0	triterpenoid
chrysin	[no description available]	medium	3	0	7-hydroxyflavonol; dihydroxyflavone	anti-inflammatory agent; antineoplastic agent; antioxidant; EC 2.7.11.18 (myosin-light-chain kinase) inhibitor; hepatoprotective agent; plant metabolite
daidzein	[no description available]	medium	3	0	7-hydroxyisoflavones	antineoplastic agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; phytoestrogen; plant metabolite
neticonazole	[no description available]	medium	3	0	aromatic ether; benzenes; conazole antifungal drug; enamine; imidazole antifungal drug; imidazoles; methyl sulfide	antifungal drug; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine	[no description available]	medium	3	0	endocannabinoid; N-acylethanolamine 22:6
n-oleoylethanolamine	[no description available]	medium	3	0	endocannabinoid; N-(long-chain-acyl)ethanolamine; N-acylethanolamine 18:1	EC 3.5.1.23 (ceramidase) inhibitor; geroprotector; PPARalpha agonist
alpha-zearalenol	[no description available]	medium	3	0	macrolide
su 9516	[no description available]	medium	3	0
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine	[no description available]	medium	3	0	triazolopyrimidines
sb 277011	[no description available]	medium	3	0
sb 223412	[no description available]	medium	3	0
sr 59230a	[no description available]	medium	3	0	tetralins
3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzamide	[no description available]	medium	3	0	pyrimidines
kn 62	[no description available]	medium	3	0	piperazines
MeJA	[no description available]	medium	3	0	Jasmonate derivatives
1h-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)-	[no description available]	medium	3	0
pd 161570	[no description available]	medium	3	0
su 11248	[no description available]	medium	1	0	monocarboxylic acid amide; pyrroles	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; immunomodulator; neuroprotective agent; vascular endothelial growth factor receptor antagonist
palbociclib	[no description available]	medium	3	0	aminopyridine; aromatic ketone; cyclopentanes; piperidines; pyridopyrimidine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
jnj-7706621	[no description available]	medium	3	0	sulfonamide
virginiamycin factor s1	[no description available]	medium	3	0	cyclodepsipeptide; macrolide antibiotic	antibacterial drug; bacterial metabolite
xib 4035	[no description available]	medium	3	0
belotecan	[no description available]	medium	3	0	pyranoindolizinoquinoline
norgestimate	[no description available]	medium	3	0	ketoxime; steroid ester; terminal acetylenic compound	contraceptive drug; progestin; synthetic oral contraceptive
b 43	[no description available]	medium	3	0	aromatic amine; aromatic ether; cyclopentanes; primary amino compound; pyrrolopyrimidine	EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; geroprotector
4-(2' methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-fluorobenzamido)ethyl)piperazine	[no description available]	medium	3	0
methiazole	[no description available]	medium	3	0	benzimidazoles; carbamate ester
sb 218795	[no description available]	medium	3	0	quinolines
bvt.948	[no description available]	medium	3	0
a 38503	[no description available]	medium	3	0
parthenolide	[no description available]	medium	2	0	sesquiterpene lactone	drug allergen; inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
krn 633	[no description available]	medium	3	0
5-amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid	[no description available]	medium	3	0	organonitrogen heterocyclic compound; organosulfur heterocyclic compound
gw 501516	[no description available]	medium	3	0	1,3-thiazoles; aromatic ether; aryl sulfide; monocarboxylic acid; organofluorine compound	carcinogenic agent; PPARbeta/delta agonist
dolastatin 10	[no description available]	medium	3	0	1,3-thiazoles; tetrapeptide	animal metabolite; antineoplastic agent; apoptosis inducer; marine metabolite; microtubule-destabilising agent
spc-839	[no description available]	medium	3	0
midostaurin	[no description available]	medium	3	0	benzamides; gamma-lactam; indolocarbazole; organic heterooctacyclic compound	antineoplastic agent; EC 2.7.11.13 (protein kinase C) inhibitor
nu 7026	[no description available]	medium	3	0	organic heterotricyclic compound; organooxygen compound
osi 930	[no description available]	medium	3	0	aromatic amide
ticagrelor	[no description available]	medium	3	0	aryl sulfide; hydroxyether; organofluorine compound; secondary amino compound; triazolopyrimidines	P2Y12 receptor antagonist; platelet aggregation inhibitor
l 692585	[no description available]	medium	3	0	peptide
pi103	[no description available]	medium	3	0	aromatic amine; morpholines; organic heterotricyclic compound; phenols; tertiary amino compound	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
nnc 26-9100	[no description available]	medium	3	0	aminopyridine
2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine	[no description available]	medium	3	0
tivozanib	[no description available]	medium	3	0	aromatic ether
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide	[no description available]	medium	3	0
tae226	[no description available]	medium	3	0	morpholines
gw0742	[no description available]	medium	3	0	monocarboxylic acid
u 18666a	[no description available]	medium	3	0	hydrochloride	antiviral agent; EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor; Hedgehog signaling pathway inhibitor; nicotinic antagonist; sterol biosynthesis inhibitor
sb 525334	[no description available]	medium	3	0	quinoxaline derivative
bx795	[no description available]	medium	3	0	ureas
azd 6244	[no description available]	medium	3	0	benzimidazoles; bromobenzenes; hydroxamic acid ester; monochlorobenzenes; organofluorine compound; secondary amino compound	anticoronaviral agent; antineoplastic agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea	[no description available]	medium	3	0
bay 61-3606	[no description available]	medium	3	0	pyrimidines
sd-208	[no description available]	medium	3	0
crenolanib	[no description available]	medium	3	0	aminopiperidine; aromatic ether; benzimidazoles; oxetanes; quinolines; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
cj 033466	[no description available]	medium	3	0
cc 401	[no description available]	medium	3	0	pyrazoles; ring assembly
PB28	[no description available]	medium	3	0	aromatic ether; piperazines; tetralins	anticoronaviral agent; antineoplastic agent; apoptosis inducer; sigma-2 receptor agonist
arterolane	[no description available]	medium	3	0
cariprazine	[no description available]	medium	3	0
krp-203	[no description available]	medium	3	0
regorafenib	[no description available]	medium	3	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; monofluorobenzenes; phenylureas; pyridinecarboxamide	antineoplastic agent; hepatotoxic agent; tyrosine kinase inhibitor
at 7867	[no description available]	medium	3	0	monochlorobenzenes; piperidines; pyrazoles	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester	[no description available]	medium	3	0	pyrroloquinoline
ptc 124	[no description available]	medium	3	0	oxadiazole; ring assembly
bi 2536	[no description available]	medium	3	0
azd 1152	[no description available]	medium	3	0	anilide; monoalkyl phosphate; monofluorobenzenes; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor; prodrug
carfilzomib	[no description available]	medium	3	0	epoxide; morpholines; tetrapeptide	antineoplastic agent; proteasome inhibitor
idelalisib	[no description available]	medium	3	0	aromatic amine; organofluorine compound; purines; quinazolines; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
motesanib	[no description available]	medium	3	0	pyridinecarboxamide
pf-562,271	[no description available]	medium	3	0	indoles
gliocladin c	[no description available]	medium	3	0
sb 706504	[no description available]	medium	3	0
ku-0060648	[no description available]	medium	3	0	dibenzothiophenes
bgt226	[no description available]	medium	3	0	aromatic ether; imidazoquinoline; N-arylpiperazine; organofluorine compound; pyridines	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
n-desmethyldanofloxacin	[no description available]	medium	3	0
rabeprazole sodium	[no description available]	medium	1	0	organic sodium salt
CDN1163	[no description available]	medium	3	0	aromatic ether; quinolines; secondary carboxamide	SERCA activator
gsk 269962a	[no description available]	medium	3	0
pha 848125	[no description available]	medium	3	0
nvp-bhg712	[no description available]	medium	3	0	benzamides
pf 04217903	[no description available]	medium	3	0	quinolines
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one	[no description available]	medium	3	0	aromatic ketone
ph 797804	[no description available]	medium	3	0	aromatic ether; benzamides; organobromine compound; organofluorine compound; pyridone	anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
srt1720	[no description available]	medium	3	0
purfalcamine	[no description available]	medium	3	0
bms 754807	[no description available]	medium	3	0	pyrazoles; pyridines; pyrrolidines; pyrrolotriazine	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ponatinib	[no description available]	medium	3	0	(trifluoromethyl)benzenes; acetylenic compound; benzamides; imidazopyridazine; N-methylpiperazine	antineoplastic agent; tyrosine kinase inhibitor
quizartinib	[no description available]	medium	3	0	benzoimidazothiazole; isoxazoles; morpholines; phenylureas	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; necroptosis inhibitor
PP121	[no description available]	medium	3	0	aromatic amine; cyclopentanes; pyrazolopyrimidine; pyrrolopyridine	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; tyrosine kinase inhibitor
navitoclax	[no description available]	medium	3	0	aryl sulfide; monochlorobenzenes; morpholines; N-sulfonylcarboxamide; organofluorine compound; piperazines; secondary amino compound; sulfone; tertiary amino compound	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
gsk 650394	[no description available]	medium	3	0	phenylpyridine
dcc-2036	[no description available]	medium	3	0	organofluorine compound; phenylureas; pyrazoles; pyridinecarboxamide; quinolines	tyrosine kinase inhibitor
cabozantinib	[no description available]	medium	3	0	aromatic ether; dicarboxylic acid diamide; organofluorine compound; quinolines	antineoplastic agent; tyrosine kinase inhibitor
TAK-580	[no description available]	medium	3	0	1,3-thiazolecarboxamide; aminopyrimidine; chloropyridine; organofluorine compound; pyrimidinecarboxamide; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor
8-(4-aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one	[no description available]	medium	3	0	chromones
pf 3758309	[no description available]	medium	3	0	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
5-(2-benzofuranyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine	[no description available]	medium	3	0	aryl sulfide; thienopyrimidine
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine	[no description available]	medium	3	0	aryl sulfide; thienopyrimidine
5-bromo-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine	[no description available]	medium	3	0	aryl sulfide; thienopyrimidine
baricitinib	[no description available]	medium	3	0	azetidines; nitrile; pyrazoles; pyrrolopyrimidine; sulfonamide	anti-inflammatory agent; antirheumatic drug; antiviral agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; immunosuppressive agent
6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinamine	[no description available]	medium	3	0	quinazolines
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone	[no description available]	medium	3	0	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide	[no description available]	medium	3	0	hydroxyquinoline
p505-15	[no description available]	medium	3	0
mrt67307	[no description available]	medium	3	0	aromatic amine
N-[3-[[5-chloro-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide	[no description available]	medium	3	0	piperazines
ribociclib	[no description available]	medium	3	0
1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone	[no description available]	medium	3	0	aromatic ketone; thienopyrimidine
pha 793887	[no description available]	medium	3	0	piperidinecarboxamide
ml228 probe	[no description available]	medium	3	0	1,2,4-triazines; biphenyls; pyridines; secondary amino compound	hypoxia-inducible factor pathway activator
pf-03882845	[no description available]	medium	3	0
jq1 compound	[no description available]	medium	3	0	carboxylic ester; organochlorine compound; tert-butyl ester; thienotriazolodiazepine	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; bromodomain-containing protein 4 inhibitor; cardioprotective agent; ferroptosis inducer
pf-04620110	[no description available]	medium	3	0
gsk525762a	[no description available]	medium	3	0	benzodiazepine
torin 1	[no description available]	medium	3	0	N-acylpiperazine; N-arylpiperazine; organofluorine compound; pyridoquinoline; quinolines	antineoplastic agent; mTOR inhibitor
abt-199	[no description available]	medium	3	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; N-sulfonylcarboxamide; oxanes; pyrrolopyridine	antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea	[no description available]	medium	3	0	ureas
N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)anilino]-1-piperidinecarbothioamide	[no description available]	medium	3	0	(trifluoromethyl)benzenes
ncgc00242364	[no description available]	medium	3	0	quinazolines
gsk1210151a	[no description available]	medium	3	0	imidazoquinoline
hs-173	[no description available]	medium	3	0
sr1664	[no description available]	medium	3	0	indolecarboxamide
4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-n-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide	[no description available]	medium	3	0
N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide	[no description available]	medium	2	0	benzamides; N-acylpiperidine
N-[4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide	[no description available]	medium	2	0	aminoquinoline
cudc-907	[no description available]	medium	3	0
methacycline monohydrochloride	[no description available]	medium	2	0
2-[[[4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid	[no description available]	medium	3	0	quinolines
agi-5198	[no description available]	medium	3	0
cep-32496	[no description available]	medium	3	0
epz004777	[no description available]	medium	3	0	N-glycosyl compound
3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid	[no description available]	medium	3	0	organonitrogen heterocyclic compound
entecavir	[no description available]	medium	3	0	benzamides; N-acylpiperidine
gkt137831	[no description available]	medium	3	0
vx-509	[no description available]	medium	3	0
vx-970	[no description available]	medium	3	0	sulfonamide
gs-9973	[no description available]	medium	3	0
amg 925	[no description available]	medium	3	0
gne-618	[no description available]	medium	3	0
g007-lk	[no description available]	medium	3	0
volitinib	[no description available]	medium	3	0
ML355	[no description available]	medium	3	0	benzothiazoles; monomethoxybenzene; phenols; secondary amino compound; substituted aniline; sulfonamide	EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor; platelet aggregation inhibitor
acp-196	[no description available]	medium	3	0	aromatic amine; benzamides; imidazopyrazine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; ynone	antineoplastic agent; apoptosis inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
gsk343	[no description available]	medium	3	0	aminopyridine; indazoles; N-alkylpiperazine; N-arylpiperazine; pyridone; secondary carboxamide	antineoplastic agent; apoptosis inducer; EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor
agi-6780	[no description available]	medium	3	0
khs101	[no description available]	medium	3	0
cb-839	[no description available]	medium	3	0
gsk-j4	[no description available]	medium	3	0	organonitrogen heterocyclic compound
pf-06424439	[no description available]	medium	3	0
etp-46464	[no description available]	medium	3	0
onc201	[no description available]	medium	3	0
kai407	[no description available]	medium	3	0
6,7-dimethoxy-2-(pyrrolidin-1-yl)-n-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine	[no description available]	medium	3	0
enasidenib	[no description available]	medium	3	0	1,3,5-triazines; aminopyridine; aromatic amine; organofluorine compound; secondary amino compound; tertiary alcohol	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
oicr-9429	[no description available]	medium	3	0
lly-507	[no description available]	medium	3	0
at 9283	[no description available]	medium	3	0
hypoxanthine	[no description available]	medium	3	0	nucleobase analogue; oxopurine; purine nucleobase	fundamental metabolite
clozapine	[no description available]	medium	3	0	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
1-hydroxyphenazine	[no description available]	medium	3	0	phenazines
ro 24-7429	[no description available]	medium	3	0	benzodiazepine
nintedanib	[no description available]	medium	3	0
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide	[no description available]	medium	3	0	catechols; hydrazide; hydrazone; naphthols	EC 3.6.5.5 (dynamin GTPase) inhibitor
ver 52296	[no description available]	medium	3	0	aromatic amide; isoxazoles; monocarboxylic acid amide; morpholines; resorcinols	angiogenesis inhibitor; antineoplastic agent; Hsp90 inhibitor
rvx 208	[no description available]	medium	3	0
bmn 673	[no description available]	medium	3	0
carvedilol	[no description available]	medium	2	0	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent
cetirizine	[no description available]	medium	2	0	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic
cyclizine	[no description available]	medium	1	0	N-alkylpiperazine	antiemetic; central nervous system depressant; cholinergic antagonist; H1-receptor antagonist; local anaesthetic
aloxistatin	[no description available]	medium	1	0	epoxide; ethyl ester; L-leucine derivative; monocarboxylic acid amide	anticoronaviral agent; cathepsin B inhibitor
zpck	[no description available]	medium	2	0
indatraline	[no description available]	medium	2	0	indanes
salvinorin a	[no description available]	medium	1	0	organic heterotricyclic compound; organooxygen compound	metabolite; oneirogen
niguldipine hydrochloride	[no description available]	medium	2	0
bardoxolone methyl	[no description available]	medium	1	0	cyclohexenones
trichostatin a	[no description available]	medium	1	0	antibiotic antifungal agent; hydroxamic acid; trichostatin	bacterial metabolite; EC 3.5.1.98 (histone deacetylase) inhibitor; geroprotector
sitafloxacin	[no description available]	medium	1	0	fluoroquinolone antibiotic; quinolines; quinolone antibiotic
benidipine	[no description available]	medium	1	0
toremifene	[no description available]	medium	1	0	aromatic ether; organochlorine compound; tertiary amine	antineoplastic agent; bone density conservation agent; estrogen antagonist; estrogen receptor modulator
N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide	[no description available]	medium	2	0	indoles
rabeprazole(1-)	[no description available]	medium	2	0	organic nitrogen anion
cyclosporine	[no description available]	medium	1	0
fenoterol	[no description available]	medium	2	0	hydrobromide	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
gw-5074	[no description available]	medium	1	0
fk 866	[no description available]	medium	1	0	benzamides; N-acylpiperidine
valnemulin	[no description available]	medium	2	0
hki 272	[no description available]	medium	1	0	nitrile; quinolines	antineoplastic agent; tyrosine kinase inhibitor
degrasyn	[no description available]	medium	2	0
azd 1152-hqpa	[no description available]	medium	2	0	anilide; monofluorobenzenes; primary alcohol; pyrazoles; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; Aurora kinase inhibitor
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol	[no description available]	medium	2	0	benzyl alcohols; morpholines; pyridopyrimidine; tertiary amino compound	antineoplastic agent; apoptosis inducer; mTOR inhibitor
gsk 2334470	[no description available]	medium	1	0	indazoles
birinapant	[no description available]	medium	1	0	dipeptide
methacycline	[no description available]	medium	1	0
epoxiconazole	[no description available]	medium	1	0	epoxide; monochlorobenzenes; monofluorobenzenes; triazoles
clotrimazole	[no description available]	medium	4	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
fluconazole	[no description available]	medium	4	0	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
triazoles	[no description available]	medium	1	0	1,2,3-triazole
dichlorophen	[no description available]	medium	1	0	bridged diphenyl fungicide; diarylmethane
clorophene	[no description available]	medium	1	0
triclosan	[no description available]	medium	1	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
retinyl propionate	[no description available]	medium	1	1
retinol	[no description available]	medium	1	1	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
fenofibric acid	[no description available]	medium	1	0	aromatic ketone; chlorobenzophenone; monocarboxylic acid	drug metabolite; marine xenobiotic metabolite
fluoxetine	[no description available]	medium	1	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
fenofibrate	[no description available]	medium	1	0	aromatic ether; chlorobenzophenone; isopropyl ester; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
pheophytin a	[no description available]	medium	1	0
chlorophyll a	[no description available]	medium	1	0	chlorophyll; methyl ester	cofactor
2-ethylhexyl salicylate	[no description available]	medium	1	0	benzoate ester; phenols
carbitol	[no description available]	medium	1	0	diether; glycol ether; hydroxypolyether; primary alcohol	protic solvent
propylene glycol	[no description available]	medium	1	0	glycol; propane-1,2-diols	allergen; human xenobiotic metabolite; mouse metabolite; protic solvent
salicylates	[no description available]	medium	1	0	monohydroxybenzoate	plant metabolite
chlorine	[no description available]	medium	1	0	diatomic chlorine; gas molecular entity	bleaching agent
ciprofloxacin	[no description available]	medium	1	0	aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion	antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic
miconazole	[no description available]	medium	3	0	dichlorobenzene; ether; imidazoles
methanol	[no description available]	medium	1	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
econazole	[no description available]	medium	1	0	dichlorobenzene; ether; imidazoles; monochlorobenzenes
piroctone olamine	[no description available]	medium	5	2
clarithromycin	[no description available]	medium	1	0	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic
edetic acid	[no description available]	medium	1	0	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
chlorhexidine	[no description available]	medium	1	0	biguanides; monochlorobenzenes	antibacterial agent; antiinfective agent
ketoconazole	[no description available]	medium	3	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
chitosan	[no description available]	medium	1	1
imidazole	[no description available]	medium	1	0	imidazole
salicylic acid	[no description available]	medium	1	0	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
dinitrochlorobenzene	[no description available]	low	0	0	C-nitro compound; monochlorobenzenes	allergen; epitope; sensitiser
bupropion	[no description available]	low	0	0	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic
1-(3-chlorophenyl)biguanide	[no description available]	low	0	0	biguanides; monochlorobenzenes
1-(3-chlorophenyl)piperazine	[no description available]	low	0	0	monochlorobenzenes; N-arylpiperazine	drug metabolite; environmental contaminant; serotonergic agonist; xenobiotic
chlorocresol	[no description available]	low	0	0	hydroxytoluene; monochlorobenzenes	antimicrobial agent; disinfectant; ryanodine receptor agonist
win 53338	[no description available]	low	0	0	isoxazoles; monochlorobenzenes	antiviral agent
acemetacin	[no description available]	low	0	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
rtki cpd	[no description available]	low	0	0	aromatic ether; monochlorobenzenes; quinazolines	antineoplastic agent; antiviral agent; epidermal growth factor receptor antagonist; geroprotector
amlodipine	[no description available]	low	0	0	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent
azelastine	[no description available]	low	0	0	monochlorobenzenes; phthalazines; tertiary amino compound	anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor
azosemide	[no description available]	low	0	0	monochlorobenzenes; sulfonamide; tetrazoles; thiophenes	loop diuretic
baclofen	[no description available]	low	0	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant
carbinoxamine	[no description available]	low	0	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist
carbonyl cyanide m-chlorophenyl hydrazone	[no description available]	low	0	0	hydrazone; monochlorobenzenes; nitrile	antibacterial agent; geroprotector; ionophore
chlorhexidine	[no description available]	low	0	0	biguanides; monochlorobenzenes	antibacterial agent; antiinfective agent
chlormezanone	[no description available]	low	0	0	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant
chloroxylenol	[no description available]	low	0	0	monochlorobenzenes; phenols	antiseptic drug; disinfectant; molluscicide
chlorphenesin carbamate	[no description available]	low	0	0	carbamate ester; monochlorobenzenes; secondary alcohol	muscle relaxant
chlorpheniramine	[no description available]	low	0	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor
chlorpropamide	[no description available]	low	0	0	monochlorobenzenes; N-sulfonylurea	hypoglycemic agent; insulin secretagogue
chlorpropham	[no description available]	low	0	0	benzenes; carbamate ester; monochlorobenzenes	herbicide; plant growth retardant
chlorthalidone	[no description available]	low	0	0	isoindoles; monochlorobenzenes; sulfonamide
clemizole	[no description available]	low	0	0	benzimidazoles; monochlorobenzenes; pyrrolidines	histamine antagonist
clofazimine	[no description available]	low	0	0	monochlorobenzenes; phenazines	dye; leprostatic drug; non-steroidal anti-inflammatory drug
clofibrate	[no description available]	low	0	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
clofibric acid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	anticholesteremic drug; antilipemic drug; antineoplastic agent; herbicide; marine xenobiotic metabolite; PPARalpha agonist
clonazepam	[no description available]	low	0	0	1,4-benzodiazepinone; monochlorobenzenes	anticonvulsant; anxiolytic drug; GABA modulator
clorprenaline	[no description available]	low	0	0	ethanolamines; monochlorobenzenes; secondary amino compound
croconazole	[no description available]	low	0	0	aromatic ether; conazole antifungal drug; imidazole antifungal drug; monochlorobenzenes
dichlorodiphenyl dichloroethylene	[no description available]	low	0	0	chlorophenylethylene; monochlorobenzenes	human xenobiotic metabolite; persistent organic pollutant
ddt	[no description available]	low	0	0	benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide	bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant
fenvalerate	[no description available]	low	0	0	aromatic ether; carboxylic ester; monochlorobenzenes	pyrethroid ester acaricide; pyrethroid ester insecticide
glyburide	[no description available]	low	0	0	monochlorobenzenes; N-sulfonylurea	anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent
indomethacin	[no description available]	low	0	0	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
lofepramine	[no description available]	low	0	0	aromatic ketone; dibenzoazepine; monochlorobenzenes; tertiary amino compound	antidepressant
loperamide	[no description available]	low	0	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	anticoronaviral agent; antidiarrhoeal drug; mu-opioid receptor agonist
metoclopramide	[no description available]	low	0	0	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic
moclobemide	[no description available]	low	0	0	benzamides; monochlorobenzenes; morpholines	antidepressant; environmental contaminant; xenobiotic
nefazodone	[no description available]	low	0	0	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor
nemonapride	[no description available]	low	0	0	benzamides; monochlorobenzenes; monomethoxybenzene; N-alkylpyrrolidine; secondary amino compound; secondary carboxamide; substituted aniline
proglumetacin	[no description available]	low	0	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
pyrimethamine	[no description available]	low	0	0	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
sulconazole	[no description available]	low	0	0	dichlorobenzene; imidazoles; monochlorobenzenes; organic sulfide
ticlopidine	[no description available]	low	0	0	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor
trazodone	[no description available]	low	0	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
zomepirac	[no description available]	low	0	0	aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles	cardiovascular drug; non-steroidal anti-inflammatory drug
dichlorodiphenyldichloroethane	[no description available]	low	0	0	chlorophenylethane; monochlorobenzenes; organochlorine insecticide	xenobiotic metabolite
systhane	[no description available]	low	0	0	monochlorobenzenes; nitrile; triazoles
buclizine	[no description available]	low	0	0	monochlorobenzenes; N-alkylpiperazine	antiemetic; central nervous system depressant; cholinergic antagonist; histamine antagonist; local anaesthetic
bis(p-chlorophenyl)acetic acid	[no description available]	low	0	0	monocarboxylic acid; monochlorobenzenes
1-chloro-2-nitrobenzene	[no description available]	low	0	0	C-nitro compound; monochlorobenzenes
picryl chloride	[no description available]	low	0	0	C-nitro compound; monochlorobenzenes	allergen; epitope; explosive; hapten
3,3'-dichlorobenzidine	[no description available]	low	0	0	biphenyls; monochlorobenzenes; organochlorine compound
mecoprop	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; monochlorobenzenes
2-methyl-4-chlorophenoxyacetic acid	[no description available]	low	0	0	chlorophenoxyacetic acid; monochlorobenzenes	environmental contaminant; phenoxy herbicide; synthetic auxin
2-methyl-4-chlorophenoxy gamma-butyric acid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	environmental contaminant; phenoxy herbicide; xenobiotic
3-chloro-4-methylaniline	[no description available]	low	0	0	chloroaniline; monochlorobenzenes	avicide
4-chloro-1,2-diaminobenzene	[no description available]	low	0	0	monochlorobenzenes
fentichlor	[no description available]	low	0	0	aryl sulfide; bridged diphenyl antifungal drug; monochlorobenzenes; polyphenol	antiinfective agent; drug allergen
dyrene	[no description available]	low	0	0	monochlorobenzenes; organochlorine pesticide; secondary amino compound; triazines	antifungal agrochemical
barban	[no description available]	low	0	0	acetylenic compound; carbamate ester; monochlorobenzenes	herbicide
chlorphenesin	[no description available]	low	0	0	glycol; monochlorobenzenes; propane-1,2-diols	antibacterial drug; antifungal drug; muscle relaxant
4-chlorotoluene	[no description available]	low	0	0	monochlorobenzenes
4-chloroaniline	[no description available]	low	0	0	chloroaniline; monochlorobenzenes
chlorobenzene	[no description available]	low	0	0	monochlorobenzenes	solvent
dicofol	[no description available]	low	0	0	monochlorobenzenes; organochlorine acaricide; tertiary alcohol
tetradifon	[no description available]	low	0	0	monochlorobenzenes; organochlorine acaricide; sulfone; trichlorobenzene
chloroprocaine	[no description available]	low	0	0	benzoate ester; monochlorobenzenes	central nervous system depressant; local anaesthetic; peripheral nervous system drug
monuron	[no description available]	low	0	0	3-(3,4-substituted-phenyl)-1,1-dimethylurea; monochlorobenzenes	environmental contaminant; herbicide; xenobiotic
5-chlorosalicylic acid	[no description available]	low	0	0	chlorobenzoic acid; monochlorobenzenes; monohydroxybenzoic acid
cloflucarban	[no description available]	low	0	0	monochlorobenzenes; phenylureas	antibacterial agent
4-chloroacetanilide	[no description available]	low	0	0	acetamides; monochlorobenzenes
pyrrolnitrin	[no description available]	low	0	0	alkaloid; C-nitro compound; monochlorobenzenes; pyrroles	antifungal drug; bacterial metabolite
4-chloro-2-cresol	[no description available]	low	0	0	monochlorobenzenes; phenols
4-chlorophenylacetic acid	[no description available]	low	0	0	monocarboxylic acid; monochlorobenzenes	xenobiotic metabolite
4,4'-dichlorobiphenyl	[no description available]	low	0	0	dichlorobiphenyl; monochlorobenzenes
4-chlorocatechol	[no description available]	low	0	0	chlorocatechol; monochlorobenzenes	bacterial xenobiotic metabolite
2-chloro-4-aminobenzoic acid	[no description available]	low	0	0	aminobenzoic acid; monochlorobenzenes
ddms	[no description available]	low	0	0	chlorophenylethane; monochlorobenzenes
4-bromo-2-chlorophenol	[no description available]	low	0	0	halophenol; monochlorobenzenes; organobromine compound
3-chlorocatechol	[no description available]	low	0	0	chlorocatechol; monochlorobenzenes
4-chlorophenoxyacetic acid	[no description available]	low	0	0	chlorophenoxyacetic acid; monochlorobenzenes	phenoxy herbicide
clemastine	[no description available]	low	0	0	monochlorobenzenes; N-alkylpyrrolidine	anti-allergic agent; antipruritic drug; H1-receptor antagonist; muscarinic antagonist
chlortoluron	[no description available]	low	0	0	monochlorobenzenes; phenylureas	agrochemical; environmental contaminant; herbicide; xenobiotic
methoxuron	[no description available]	low	0	0	3-(3,4-substituted-phenyl)-1,1-dimethylurea; monochlorobenzenes; monomethoxybenzene	agrochemical; environmental contaminant; herbicide; photosystem-II inhibitor; plant growth regulator; xenobiotic
alclofenac	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; monochlorobenzenes	drug allergen; non-narcotic analgesic; non-steroidal anti-inflammatory drug
benthiocarb	[no description available]	low	0	0	monochlorobenzenes; monothiocarbamic ester
2,4'-dichlorobiphenyl	[no description available]	low	0	0	dichlorobiphenyl; monochlorobenzenes
diflubenzuron	[no description available]	low	0	0	benzoylurea insecticide; monochlorobenzenes	insect sterilant
profenofos	[no description available]	low	0	0	monochlorobenzenes; organic thiophosphate; organochlorine insecticide; organophosphate insecticide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
bezafibrate	[no description available]	low	0	0	aromatic ether; monocarboxylic acid amide; monocarboxylic acid; monochlorobenzenes	antilipemic drug; environmental contaminant; geroprotector; xenobiotic
triadimefon	[no description available]	low	0	0	aromatic ether; hemiaminal ether; ketone; monochlorobenzenes; triazoles
benoxaprofen	[no description available]	low	0	0	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
closantel	[no description available]	low	0	0	aromatic amide; monocarboxylic acid amide; monochlorobenzenes; nitrile; organoiodine compound; phenols
fenarimol	[no description available]	low	0	0	monochlorobenzenes; pyrimidines; tertiary alcohol
triflumuron	[no description available]	low	0	0	aromatic ether; benzoylurea insecticide; monochlorobenzenes; organofluorine compound
butoconazole	[no description available]	low	0	0	aryl sulfide; conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; monochlorobenzenes
chlorsulfuron	[no description available]	low	0	0	methoxy-1,3,5-triazine; monochlorobenzenes; N-sulfonylurea	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide
fluvalinate	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; nitrile; organochlorine acaricide; organochlorine insecticide; organofluorine acaricide; organofluorine insecticide	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide
fomesafen	[no description available]	low	0	0	aromatic ether; C-nitro compound; monochlorobenzenes; N-sulfonylcarboxamide; organofluorine compound; phenols	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
2,3,4,4'5-pentachlorobiphenyl	[no description available]	low	0	0	monochlorobenzenes; pentachlorobiphenyl; tetrachlorobenzene
clomazone	[no description available]	low	0	0	isoxazolidinone; monochlorobenzenes	agrochemical; carotenoid biosynthesis inhibitor; environmental contaminant; herbicide; xenobiotic
tepoxalin	[no description available]	low	0	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
clopidogrel	[no description available]	low	0	0	methyl ester; monochlorobenzenes; thienopyridine	anticoagulant; P2Y12 receptor antagonist; platelet aggregation inhibitor
eliprodil	[no description available]	low	0	0	monochlorobenzenes; monofluorobenzenes; piperidines; secondary alcohol; tertiary amino compound
fluazuron	[no description available]	low	0	0	aromatic ether; chloropyridine; monochlorobenzenes; N-acylurea; organochlorine acaricide; organofluorine acaricide; phenylureas	acaricide; mite growth regulator
flucofuron	[no description available]	low	0	0	(trifluoromethyl)benzenes; monochlorobenzenes; organochlorine pesticide; organofluorine pesticide; phenylureas	epitope
lonazolac	[no description available]	low	0	0	monocarboxylic acid; monochlorobenzenes; pyrazoles	antineoplastic agent; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
3-chloroperbenzoic acid	[no description available]	low	0	0	monochlorobenzenes; peroxy acid
clofentezine	[no description available]	low	0	0	monochlorobenzenes; organochlorine acaricide; tetrazine	mite growth regulator; tetrazine acaricide
tebuconazole	[no description available]	low	0	0	monochlorobenzenes; tertiary alcohol; triazoles
cyproconazole	[no description available]	low	0	0	cyclopropanes; monochlorobenzenes; tertiary alcohol; triazoles
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile	[no description available]	low	0	0	monochlorobenzenes; nitrile; triazoles
metconazole	[no description available]	low	0	0	conazole fungicide; cyclopentanols; monochlorobenzenes; tertiary alcohol; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
cloransulam-methyl	[no description available]	low	0	0	methyl ester; monochlorobenzenes; organofluorine compound; sulfonamide; triazolopyrimidines	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide
2-amino-5-chlorophenol	[no description available]	low	0	0	monochlorobenzenes; phenols; primary amino compound
pencycuron	[no description available]	low	0	0	monochlorobenzenes; phenylureas	antifungal agrochemical
fluazinam	[no description available]	low	0	0	(trifluoromethyl)benzenes; aminopyridine; C-nitro compound; chloropyridine; monochlorobenzenes; secondary amino compound	allergen; antifungal agrochemical; apoptosis inducer; environmental contaminant; xenobiotic
flufenoxuron	[no description available]	low	0	0	(trifluoromethyl)benzenes; benzoylurea insecticide; difluorobenzene; monochlorobenzenes; monofluorobenzenes	mite growth regulator
chlorfenapyr	[no description available]	low	0	0	hemiaminal ether; monochlorobenzenes; nitrile; organochlorine acaricide; organochlorine insecticide; organofluorine acaricide; organofluorine insecticide; pyrroles	proacaricide; proinsecticide
aclonifen	[no description available]	low	0	0	aromatic ether; C-nitro compound; monochlorobenzenes; primary amino compound; substituted aniline	agrochemical; carotenoid biosynthesis inhibitor; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
pyraclofos	[no description available]	low	0	0	monochlorobenzenes; organic thiophosphate; organochlorine insecticide; organosulfur compound; organothiophosphate insecticide; pyrazoles	agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
novaluron	[no description available]	low	0	0	aromatic ether; benzoylurea insecticide; monochlorobenzenes; organofluorine compound
3-chloro-L-tyrosine	[no description available]	low	0	0	chloroamino acid; L-alpha-amino acid zwitterion; L-tyrosine derivative; monochlorobenzenes; non-proteinogenic L-alpha-amino acid	biomarker; human metabolite
rh-0345	[no description available]	low	0	0	bisacylhydrazine insecticide; monochlorobenzenes
3-chloro-4-hydroxyphenylacetic acid	[no description available]	low	0	0	hydroxy monocarboxylic acid; monochlorobenzenes; phenols	mammalian metabolite
mosapride	[no description available]	low	0	0	aromatic ether; benzamides; monochlorobenzenes; monofluorobenzenes; morpholines; secondary carboxamide; substituted aniline; tertiary amino compound
gefitinib	[no description available]	low	0	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; morpholines; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
vatalanib	[no description available]	low	0	0	monochlorobenzenes; phthalazines; pyridines; secondary amino compound	angiogenesis inhibitor; antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; vascular endothelial growth factor receptor antagonist
carpropamid	[no description available]	low	0	0	amide fungicide; cyclopropylcarboxamide; monochlorobenzenes	antifungal agrochemical; EC 4.2.1.94 (scytalone dehydratase) inhibitor; melanin synthesis inhibitor; xenobiotic
canertinib	[no description available]	low	0	0	monochlorobenzenes; morpholines; organofluorine compound; quinazolines	antineoplastic agent; tyrosine kinase inhibitor
s 23121	[no description available]	low	0	0	aromatic ether; dicarboximide; monochlorobenzenes; monofluorobenzenes; pyrroline; terminal acetylenic compound
4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-1h-pyrrole-3-carbonitrile	[no description available]	low	0	0	monochlorobenzenes; nitrile; organobromine compound; organochlorine acaricide; organochlorine insecticide; organofluorine acaricide; organofluorine insecticide; pyrroles	acaricide; antifouling biocide; insecticide
2-chloro-n-(4-chlorobiphenyl-2-yl)nicotinamide	[no description available]	low	0	0	anilide fungicide; biphenyls; monochlorobenzenes; pyridinecarboxamide	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; environmental contaminant; xenobiotic
sorafenib	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; phenylureas; pyridinecarboxamide	angiogenesis inhibitor; anticoronaviral agent; antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; ferroptosis inducer; tyrosine kinase inhibitor
dabuzalgron	[no description available]	low	0	0	aromatic ether; imidazoles; monochlorobenzenes; sulfonamide	alpha-adrenergic agonist
l 778,123	[no description available]	low	0	0	imidazoles; monochlorobenzenes; nitrile; piperazinone; tertiary amino compound	antineoplastic agent; EC 2.5.1.58 (protein farnesyltransferase) inhibitor; EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(4-chlorophenyl)urea	[no description available]	low	0	0	monochlorobenzenes; phenylureas; pyrazoles	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
8-(2-chloro-3,4,5-trimethoxybenzyl)-2-fluoro-9-pent-4-yn-1-yl-9H-purin-6-amine	[no description available]	low	0	0	6-aminopurines; acetylenic compound; methoxybenzenes; monochlorobenzenes; organofluorine compound	antineoplastic agent; Hsp90 inhibitor
4-chlorocinnamic acid	[no description available]	low	0	0	monochlorobenzenes
oncrasin-1	[no description available]	low	0	0	arenecarbaldehyde; indoles; monochlorobenzenes	antineoplastic agent; apoptosis inducer
6-amino-1-(4-chlorophenyl)-2-oxo-4-(1,2,4-triazol-1-ylmethyl)-5-pyrimidinecarbonitrile	[no description available]	low	0	0	monochlorobenzenes; nitrile; pyrimidone; triazoles
N-[(4-chlorophenyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide	[no description available]	low	0	0	monochlorobenzenes; pyrimidone; secondary carboxamide
capsazepine	[no description available]	low	0	0	benzazepine; catechols; monochlorobenzenes; thioureas	capsaicin receptor antagonist
1-(4-chlorophenyl)-3-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]urea	[no description available]	low	0	0	1,3-thiazoles; monochlorobenzenes; phenylureas; thiophenes
n-(3-chloro-4-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide	[no description available]	low	0	0	anilide fungicide; monocarboxylic acid amide; monochlorobenzenes; organosulfur compound; thiadiazoles	antifungal agrochemical
ethyl 1-[4-(4-chlorobenzenesulfonamido)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate	[no description available]	low	0	0	ethyl ester; monochlorobenzenes; organofluorine compound; pyrazoles; sulfonamide
sr 144528	[no description available]	low	0	0	bridged compound; monochlorobenzenes; pyrazoles; secondary carboxamide	CB2 receptor antagonist; EC 2.3.1.26 (sterol O-acyltransferase) inhibitor
4-chlorobenzoyl coenzyme a	[no description available]	low	0	0	chlorobenzoyl-CoA; monochlorobenzenes
l 663536	[no description available]	low	0	0	aryl sulfide; indoles; monocarboxylic acid; monochlorobenzenes	antineoplastic agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; leukotriene antagonist
brl 15572	[no description available]	low	0	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; secondary alcohol	geroprotector; serotonergic antagonist
ML162	[no description available]	low	0	0	monochlorobenzenes; monomethoxybenzene; organochlorine compound; secondary carboxamide; tertiary carboxamide; thiophenes	EC 1.11.1.9 (glutathione peroxidase) inhibitor; ferroptosis inducer
1-[4-(2-chlorophenoxy)butyl]imidazole	[no description available]	low	0	0	aromatic ether; imidazoles; monochlorobenzenes
clopidogrel carboxylic acid	[no description available]	low	0	0	monocarboxylic acid; monochlorobenzenes; tertiary amino compound; thienopyridine	drug metabolite; marine xenobiotic metabolite
sb 415286	[no description available]	low	0	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
sc 560	[no description available]	low	0	0	aromatic ether; monochlorobenzenes; organofluorine compound; pyrazoles	angiogenesis modulating agent; antineoplastic agent; apoptosis inducer; cyclooxygenase 1 inhibitor; non-steroidal anti-inflammatory drug
ver-49009	[no description available]	low	0	0	aromatic amide; monochlorobenzenes; monomethoxybenzene; pyrazoles; resorcinols	Hsp90 inhibitor
jtk-303	[no description available]	low	0	0	aromatic ether; monochlorobenzenes; organofluorine compound; quinolinemonocarboxylic acid; quinolone	HIV-1 integrase inhibitor
alvocidib	[no description available]	low	0	0	dihydroxyflavone; hydroxypiperidine; monochlorobenzenes; tertiary amino compound	antineoplastic agent; antirheumatic drug; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
kn 93	[no description available]	low	0	0	monochlorobenzenes; monomethoxybenzene; primary alcohol; sulfonamide; tertiary amino compound	EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor; geroprotector
8-(3-chlorostyryl)caffeine	[no description available]	low	0	0	monochlorobenzenes; trimethylxanthine	adenosine A2A receptor antagonist; EC 1.4.3.4 (monoamine oxidase) inhibitor
4-chlorochalcone	[no description available]	low	0	0	chalcones; monochlorobenzenes
dimethomorph	[no description available]	low	0	0	aromatic ether; enamide; monochlorobenzenes; morpholine fungicide; tertiary carboxamide
cinidon-ethyl	[no description available]	low	0	0	ethyl ester; isoindoles; monochlorobenzenes	herbicide
proguanil	[no description available]	low	0	0	biguanides; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
monorden	[no description available]	low	0	0	cyclic ketone; enone; epoxide; macrolide antibiotic; monochlorobenzenes; phenols	antifungal agent; metabolite; tyrosine kinase inhibitor
clovoxamine	[no description available]	low	0	0	5-methoxyvalerophenone O-(2-aminoethyl)oxime; monochlorobenzenes	antidepressant
pyrachlostrobin	[no description available]	low	0	0	aromatic ether; carbamate ester; carbanilate fungicide; methoxycarbanilate strobilurin antifungal agent; monochlorobenzenes; pyrazoles	antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; xenobiotic
ascofuranone	[no description available]	low	0	0	dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid; tetrahydrofuranone	angiogenesis inhibitor; antilipemic drug; antineoplastic agent; antiprotozoal drug; fungal metabolite
uniconazole	[no description available]	low	0	0	monochlorobenzenes; secondary alcohol; triazoles
lumefantrine	[no description available]	low	0	0	fluorenes; monochlorobenzenes; secondary alcohol; tertiary amine	antimalarial
strobilurin b	[no description available]	low	0	0	enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; monochlorobenzenes; monomethoxybenzene	antifungal agent; fungal metabolite; mitochondrial cytochrome-bc1 complex inhibitor
ekb 569	[no description available]	low	0	0	aminoquinoline; monocarboxylic acid amide; monochlorobenzenes; nitrile	protein kinase inhibitor
prothioconazole	[no description available]	low	0	0	cyclopropanes; monochlorobenzenes; tertiary alcohol; thiocarbonyl compound; triazoles
aminopurvalanol a	[no description available]	low	0	0	monochlorobenzenes; purvalanol	protein kinase inhibitor
n-demethylloperamide	[no description available]	low	0	0	monocarboxylic acid amide; monochlorobenzenes; piperidines; tertiary alcohol	drug metabolite
lenvatinib	[no description available]	low	0	0	aromatic amide; aromatic ether; cyclopropanes; monocarboxylic acid amide; monochlorobenzenes; phenylureas; quinolines	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist; orphan drug; vascular endothelial growth factor receptor antagonist
sd 0006	[no description available]	low	0	0	monochlorobenzenes; N-acylpiperidine; primary alcohol; pyrazoles; pyrimidines
dapagliflozin	[no description available]	low	0	0	aromatic ether; C-glycosyl compound; monochlorobenzenes	hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor
solabegron	[no description available]	low	0	0	carboxybiphenyl; monochlorobenzenes; secondary alcohol; secondary amino compound; substituted aniline	beta-adrenergic agonist
bibw 2992	[no description available]	low	0	0	aromatic ether; enamide; furans; monochlorobenzenes; organofluorine compound; quinazolines; secondary carboxamide; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor
ki16425	[no description available]	low	0	0	carbamate ester; isoxazoles; monocarboxylic acid; monochlorobenzenes; organic sulfide
fluoxastrobin	[no description available]	low	0	0	aromatic ether; dioxazine; monochlorobenzenes; organofluorine compound; oxime O-ether; pyrimidines; strobilurin antifungal agent	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor
erastin	[no description available]	low	0	0	aromatic ether; diether; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; quinazolines; tertiary carboxamide	antineoplastic agent; ferroptosis inducer; voltage-dependent anion channel inhibitor
abt-737	[no description available]	low	0	0	aromatic amine; aryl sulfide; biphenyls; C-nitro compound; monochlorobenzenes; N-arylpiperazine; N-sulfonylcarboxamide; secondary amino compound; tertiary amino compound	anti-allergic agent; anti-inflammatory agent; antineoplastic agent; apoptosis inducer; B-cell lymphoma 2 inhibitor
benzobicyclon	[no description available]	low	0	0	aromatic ketone; carbobicyclic compound; cyclic ketone; monochlorobenzenes; organic sulfide; sulfone
ascochlorin	[no description available]	low	0	0	cyclohexanones; dihydroxybenzaldehyde; meroterpenoid; monochlorobenzenes; olefinic compound; resorcinols; sesquiterpenoid	angiogenesis inhibitor; antifungal agent; antineoplastic agent; antiprotozoal drug; fungal metabolite
chlorantranilipole	[no description available]	low	0	0	monochlorobenzenes; organobromine compound; pyrazole insecticide; pyrazoles; pyridines; secondary carboxamide	ryanodine receptor agonist
mandipropamid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid amide; monochlorobenzenes; terminal acetylenic compound
azd 8931	[no description available]	low	0	0	aromatic ether; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; tertiary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist
pf 00299804	[no description available]	low	0	0	enamide; monochlorobenzenes; monofluorobenzenes; piperidines; quinazolines; secondary amino compound; secondary carboxamide; tertiary amino compound	antineoplastic agent; epidermal growth factor receptor antagonist
MI-63	[no description available]	low	0	0	azaspiro compound; monochlorobenzenes; monofluorobenzenes; morpholines; oxindoles; pyrrolidines; secondary carboxamide	apoptosis inducer
tembotrione	[no description available]	low	0	0	aromatic ketone; beta-triketone; cyclic ketone; ether; monochlorobenzenes; organofluorine compound; sulfone	agrochemical; carotenoid biosynthesis inhibitor; EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor; herbicide
pd 0348292	[no description available]	low	0	0	monochlorobenzenes; monofluorobenzenes; pyridone; pyrrolidines; secondary carboxamide; ureas	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor; serine protease inhibitor
butafenacil	[no description available]	low	0	0	benzoate ester; diester; monochlorobenzenes; olefinic compound; organofluorine compound	EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
empagliflozin	[no description available]	low	0	0	aromatic ether; C-glycosyl compound; monochlorobenzenes; tetrahydrofuryl ether	hypoglycemic agent; sodium-glucose transport protein subtype 2 inhibitor
methampicillin	[no description available]	low	0	0	monochlorobenzenes; tertiary alcohol; triazoles	brassinosteroid biosynthesis inhibitor
dafadine B	[no description available]	low	0	0	aromatic amide; aromatic ether; isoxazoles; monochlorobenzenes; monofluorobenzenes; N-acylpiperidine; pyridines	P450 inhibitor
azd 7545	[no description available]	low	0	0	benzamides; monochlorobenzenes; organofluorine compound; secondary carboxamide; sulfone; tertiary alcohol; tertiary carboxamide	EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor; hypoglycemic agent
gdc 0449	[no description available]	low	0	0	benzamides; monochlorobenzenes; pyridines; sulfone	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent
cyclopentylidene-[4-(4-chlorophenyl)thiazol-2-yl]hydrazone	[no description available]	low	0	0	1,3-thiazoles; hydrazone; monochlorobenzenes	EC 2.3.1.48 (histone acetyltransferase) inhibitor
plx4032	[no description available]	low	0	0	aromatic ketone; difluorobenzene; monochlorobenzenes; pyrrolopyridine; sulfonamide	antineoplastic agent; B-Raf inhibitor
ulixacaltamide	[no description available]	low	0	0	benzamides; monochlorobenzenes; monofluorobenzenes; piperidines; secondary carboxamide	non-narcotic analgesic; T-type calcium channel blocker
fluazaindolizine	[no description available]	low	0	0	aromatic amide; imidazopyridine; monocarboxylic acid amide; monochlorobenzenes; monomethoxybenzene; N-sulfonylcarboxamide; organofluorine pesticide	agrochemical; nematicide
ML-210	[no description available]	low	0	0	C-nitro compound; diarylmethane; isoxazoles; monochlorobenzenes; N-acylpiperazine; N-alkylpiperazine; tertiary carboxamide	antineoplastic agent; EC 1.11.1.9 (glutathione peroxidase) inhibitor; ferroptosis inducer; prodrug
pf 4800567	[no description available]	low	0	0	aromatic ether; monochlorobenzenes; oxanes; pyrazolopyrimidine	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
pelabresib	[no description available]	low	0	0	monochlorobenzenes; organic heterotricyclic compound; primary carboxamide	antineoplastic agent; bromodomain-containing protein 4 inhibitor
MS-417	[no description available]	low	0	0	methyl ester; monochlorobenzenes; thienotriazolodiazepine
2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; monochlorobenzenes; tertiary alcohol; triazoles
ivosidenib	[no description available]	low	0	0	cyanopyridine; monochlorobenzenes; organofluorine compound; pyrrolidin-2-ones; secondary carboxamide; tertiary carboxamide	antineoplastic agent; EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
2-(5'-chloro-2'-phosphoryloxyphenyl)-6-chloro-4-(3h)-quinazolinone	[no description available]	low	0	0	aryl phosphate; monochlorobenzenes; quinazolines	fluorochrome
liproxstatin-1	[no description available]	low	0	0	azaspiro compound; monochlorobenzenes; organic heterotricyclic compound; secondary amino compound	antioxidant; cardioprotective agent; ferroptosis inhibitor; radical scavenger
histamine	[no description available]	low	0	0	aralkylamino compound; imidazoles	human metabolite; mouse metabolite; neurotransmitter
1-(2-trifluoromethylphenyl)imidazole	[no description available]	low	0	0	imidazoles
1-methylimidazole	[no description available]	low	0	0	imidazoles
4-imidazolemethanol	[no description available]	low	0	0	imidazoles; primary alcohol
alosetron	[no description available]	low	0	0	imidazoles; pyridoindole	antiemetic; gastrointestinal drug; serotonergic antagonist
azathioprine	[no description available]	low	0	0	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug
bay h 4502	[no description available]	low	0	0	biphenyls; imidazoles
brimonidine	[no description available]	low	0	0	imidazoles; quinoxaline derivative; secondary amine	adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent
carcinine	[no description available]	low	0	0	beta-alanine derivative; imidazoles; monocarboxylic acid amide; organonitrogen compound; organooxygen compound	antioxidant; crustacean metabolite
cgp 20712a	[no description available]	low	0	0	imidazoles
cimetidine	[no description available]	low	0	0	aliphatic sulfide; guanidines; imidazoles; nitrile	adjuvant; analgesic; anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
clobenpropit	[no description available]	low	0	0	imidazoles; imidothiocarbamic ester; organochlorine compound	H3-receptor antagonist; H4-receptor agonist
dacarbazine	[no description available]	low	0	0	imidazoles; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent; carcinogenic agent; prodrug
dimetridazole	[no description available]	low	0	0	C-nitro compound; imidazoles	antiparasitic agent; antiprotozoal drug
etanidazole	[no description available]	low	0	0	C-nitro compound; imidazoles; monocarboxylic acid amide	alkylating agent; antineoplastic agent; prodrug; radiosensitizing agent
flutrimazole	[no description available]	low	0	0	imidazole antifungal drug; imidazoles; monofluorobenzenes	EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
tele-methylhistamine	[no description available]	low	0	0	imidazoles; primary amino compound	human metabolite; mouse metabolite
alpha-methylhistamine	[no description available]	low	0	0	aralkylamino compound; imidazoles	animal metabolite; H3-receptor agonist
imetit	[no description available]	low	0	0	imidazoles; imidothiocarbamic ester	H3-receptor agonist; H4-receptor agonist
isoconazole	[no description available]	low	0	0	dichlorobenzene; ether; imidazoles
losartan	[no description available]	low	0	0	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist
metronidazole	[no description available]	low	0	0	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic
pd 169316	[no description available]	low	0	0	imidazoles
ronidazole	[no description available]	low	0	0	C-nitro compound; carbamate ester; imidazoles	antiparasitic agent; antiprotozoal drug
sb 220025	[no description available]	low	0	0	aminopyrimidine; imidazoles; organofluorine compound; piperidines	angiogenesis inhibitor; anti-inflammatory agent; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sb 239063	[no description available]	low	0	0	imidazoles
sb 202190	[no description available]	low	0	0	imidazoles; organofluorine compound; phenols; pyridines	apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sk&f 86002	[no description available]	low	0	0	imidazoles
tinidazole	[no description available]	low	0	0	imidazoles	antiamoebic agent; antibacterial drug; antiparasitic agent; antiprotozoal drug
tioconazole	[no description available]	low	0	0	dichlorobenzene; ether; imidazoles; thiophenes
tizanidine	[no description available]	low	0	0	benzothiadiazole; imidazoles	alpha-adrenergic agonist; muscle relaxant
tolazoline	[no description available]	low	0	0	imidazoles	alpha-adrenergic antagonist; antihypertensive agent; vasodilator agent
phentolamine	[no description available]	low	0	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
azomycin	[no description available]	low	0	0	C-nitro compound; imidazoles	antitubercular agent
5-methylbenzimidazole	[no description available]	low	0	0	imidazoles
2-methyl-5-nitroimidazole	[no description available]	low	0	0	C-nitro compound; imidazoles
4-methylimidazole	[no description available]	low	0	0	imidazoles	carcinogenic agent; reaction intermediate
zolimidine	[no description available]	low	0	0	imidazoles
1,2-dimethylimidazole	[no description available]	low	0	0	imidazoles
4-nitroimidazole	[no description available]	low	0	0	C-nitro compound; imidazoles
metomidate	[no description available]	low	0	0	imidazoles
nimorazole	[no description available]	low	0	0	C-nitro compound; imidazoles
ipronidazole	[no description available]	low	0	0	C-nitro compound; imidazoles
ornidazole	[no description available]	low	0	0	C-nitro compound; imidazoles; organochlorine compound; secondary alcohol	antiamoebic agent; antibacterial drug; antiinfective agent; antiprotozoal drug; antitrichomonal drug; epitope
1-(trimethylsilyl)-1h-imidazole	[no description available]	low	0	0	imidazoles; N-silyl compound	chromatographic reagent
lofexidine	[no description available]	low	0	0	aromatic ether; carboxamidine; dichlorobenzene; imidazoles	alpha-adrenergic agonist; antihypertensive agent
benzonidazole	[no description available]	low	0	0	C-nitro compound; imidazoles; monocarboxylic acid amide	antiprotozoal drug
etomidate	[no description available]	low	0	0	imidazoles
enilconazole	[no description available]	low	0	0	dichlorobenzene; ether; imidazoles
4-methylhistamine	[no description available]	low	0	0	aralkylamino compound; imidazoles	histamine agonist; metabolite
butoconazole nitrate	[no description available]	low	0	0	aryl sulfide; conazole antifungal drug; imidazole antifungal drug; imidazoles; organic nitrate salt
oxmetidine	[no description available]	low	0	0	benzodioxoles; imidazoles; pyrimidone	anti-ulcer drug; H2-receptor antagonist
fenticonazole	[no description available]	low	0	0	aryl sulfide; dichlorobenzene; ether; imidazoles
alpidem	[no description available]	low	0	0	imidazoles
2-(2-methoxy-4-(methylsulfinyl)phenyl)-1h-imidazo(4,5-c)pyridine	[no description available]	low	0	0	imidazoles
sertaconazole	[no description available]	low	0	0	1-benzothiophenes; dichlorobenzene; ether; imidazoles
medetomidine	[no description available]	low	0	0	imidazoles
zoledronic acid	[no description available]	low	0	0	1,1-bis(phosphonic acid); imidazoles	bone density conservation agent
n-acetylhistamine	[no description available]	low	0	0	acetamides; imidazoles	human metabolite
5-imidazolepropionic acid	[no description available]	low	0	0	imidazoles; monocarboxylic acid
secnidazole	[no description available]	low	0	0	C-nitro compound; imidazoles; secondary alcohol	epitope
eberconazole	[no description available]	low	0	0	dibenzannulene; imidazoles; organochlorine compound
prochloraz	[no description available]	low	0	0	amide fungicide; aromatic ether; conazole fungicide; imidazole fungicide; imidazoles; trichlorobenzene; ureas	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic
methylimidazoleacetic acid	[no description available]	low	0	0	imidazoles; monocarboxylic acid	GABA agonist; metabolite
5-(3-methyl-1-triazeno)imidazole-4-carboxamide	[no description available]	low	0	0	imidazoles; monocarboxylic acid amide; triazene derivative	alkylating agent; antineoplastic agent
1-(3-aminopropyl)imidazole	[no description available]	low	0	0	imidazoles
1-ethyl-2-benzimidazolinone	[no description available]	low	0	0	imidazoles
2-methylhistamine	[no description available]	low	0	0	aralkylamino compound; imidazoles	histamine agonist; metabolite
imidazoleacetic acid	[no description available]	low	0	0	imidazoles; monocarboxylic acid	metabolite; mouse metabolite
mizoribine	[no description available]	low	0	0	imidazoles	anticoronaviral agent
1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1h-imidazole	[no description available]	low	0	0	ether; imidazoles; monomethoxybenzene	TRP channel blocker
exp3174	[no description available]	low	0	0	biphenylyltetrazole; imidazoles; organochlorine compound	metabolite
1-(2-hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole	[no description available]	low	0	0	C-nitro compound; imidazoles
histidinal	[no description available]	low	0	0	amino aldehyde; imidazoles
alpha-methylhistamine	[no description available]	low	0	0	aralkylamino compound; imidazoles	H3-receptor agonist
histidinol	[no description available]	low	0	0	amino alcohol; imidazoles	EC 2.3.1.97 (glycylpeptide N-tetradecanoyltransferase) inhibitor; Escherichia coli metabolite; human metabolite; Saccharomyces cerevisiae metabolite
sb 203580	[no description available]	low	0	0	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
fk 1052	[no description available]	low	0	0	imidazoles; organic heterotricyclic compound	antiemetic; serotonergic antagonist
cimicoxib	[no description available]	low	0	0	aromatic ether; imidazoles; organochlorine compound; organofluorine compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
1-methylpropyl-2-imidazolyl disulfide	[no description available]	low	0	0	imidazoles
2-pentan-3-yl-1H-imidazole	[no description available]	low	0	0	imidazoles
2-(1-adamantyl)imidazole	[no description available]	low	0	0	imidazoles
6-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-b]thiazole	[no description available]	low	0	0	imidazoles
bromodeoxytopsentin	[no description available]	low	0	0	aromatic ketone; bromoindole; imidazoles; indole alkaloid	antibacterial agent; EC 2.7.1.40 (pyruvate kinase) inhibitor; marine metabolite
pifithrin-beta	[no description available]	low	0	0	imidazoles
bms 214662	[no description available]	low	0	0	benzenes; benzodiazepine; imidazoles; nitrile; sulfonamide; thiophenes	antineoplastic agent; apoptosis inducer; EC 2.5.1.58 (protein farnesyltransferase) inhibitor
histidyl-proline diketopiperazine	[no description available]	low	0	0	dipeptide; homodetic cyclic peptide; imidazoles; pyrrolopyrazine	anti-inflammatory agent; dopamine uptake inhibitor; human blood serum metabolite
N-[1-methyl-5-(4-methylphenyl)-2-imidazolyl]-4-oxo-4-(1-piperidinyl)butanamide	[no description available]	low	0	0	imidazoles
2-[[5-(4-fluorophenyl)-1-methyl-2-imidazolyl]thio]-1-(1-piperidinyl)ethanone	[no description available]	low	0	0	imidazoles
2-[[5-(4-chlorophenyl)-1-(2-methoxyethyl)-2-imidazolyl]thio]-N-(thiophen-2-ylmethyl)acetamide	[no description available]	low	0	0	imidazoles
2-(4-chlorophenyl)-3-(2-furanylmethyl)imidazo[4,5-b]quinoxaline	[no description available]	low	0	0	imidazoles
2-(4-methoxyphenyl)-3-propylimidazo[4,5-b]quinoxaline	[no description available]	low	0	0	imidazoles
etomidate	[no description available]	low	0	0	ethyl ester; imidazoles	intravenous anaesthetic; sedative
4-(3-amino-2-imidazo[1,2-a]pyridinyl)-2-methoxyphenol	[no description available]	low	0	0	imidazoles
aeg 3482	[no description available]	low	0	0	imidazoles
2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine	[no description available]	low	0	0	imidazoles
1-hydroxy-2-phenyl-1,5,6,7-tetrahydro-4H-benzimidazol-4-one	[no description available]	low	0	0	imidazoles
3-(4-methoxyphenyl)imidazo[1,5-a]pyridine	[no description available]	low	0	0	imidazoles
N-(2-phenyl-3-imidazo[1,2-a]pyridinyl)carbamic acid methyl ester	[no description available]	low	0	0	imidazoles
N-[3-(6-imidazo[2,1-b]thiazolyl)phenyl]butanamide	[no description available]	low	0	0	imidazoles
N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide	[no description available]	low	0	0	imidazoles
2-phenyl-3-imidazo[1,2-a]pyridinecarboxaldehyde	[no description available]	low	0	0	imidazoles
N-(2-phenyl-6-imidazo[1,2-a]pyridinyl)acetamide	[no description available]	low	0	0	imidazoles
N,N-dimethylcarbamic acid [4-[6-(trifluoromethyl)-2-imidazo[1,2-a]pyridinyl]phenyl] ester	[no description available]	low	0	0	imidazoles
2-(2-furanyl)-3-(4-methylphenyl)imidazo[4,5-b]quinoxaline	[no description available]	low	0	0	imidazoles
2-[(1,5-diphenyl-2-imidazolyl)thio]-N-(2-furanylmethyl)acetamide	[no description available]	low	0	0	imidazoles
4-chloro-2-[[(1-methyl-5-phenyl-2-imidazolyl)amino]methyl]phenol	[no description available]	low	0	0	imidazoles
5-(4-bromophenyl)-1-methyl-N-(3-pyridinylmethyl)-2-imidazolamine	[no description available]	low	0	0	imidazoles
N'-methyl-N-[1-methyl-5-(4-methylphenyl)-2-imidazolyl]-N'-(phenylmethyl)butanediamide	[no description available]	low	0	0	imidazoles
5-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)-4-nitro-2-propan-2-ylimidazole	[no description available]	low	0	0	imidazoles
2-(3,5-dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]quinoxaline	[no description available]	low	0	0	imidazoles
2-(4-methylsulfonylphenyl)-6-imidazo[1,2-a]pyridinecarboxylic acid methyl ester	[no description available]	low	0	0	imidazoles
1-[[[1-(6-methyl-2-pyridinyl)-4-imidazolyl]-oxomethyl]amino]-3-phenylthiourea	[no description available]	low	0	0	imidazoles
metiamide	[no description available]	low	0	0	imidazoles
4,5-dichloro-2-methyl-1-(2-phenoxyethyl)imidazole	[no description available]	low	0	0	imidazoles
2-Chloro-6-(1H-imidazol-1-yl)benzonitrile	[no description available]	low	0	0	imidazoles
[1-Benzyl-2-(methylsulfanyl)-1H-imidazol-5-yl]methanol	[no description available]	low	0	0	imidazoles
2-(1-benzyl-1H-imidazol-5-yl)phenol	[no description available]	low	0	0	imidazoles
1-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-4-nitrophenyl]-1H-imidazole	[no description available]	low	0	0	imidazoles
2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine	[no description available]	low	0	0	imidazoles
6-methyl-2-[4-(1-piperidinylsulfonyl)phenyl]imidazo[1,2-a]pyridine	[no description available]	low	0	0	imidazoles
1-[(4-tert-butylphenyl)methyl]-4-(4-nitrophenyl)imidazole	[no description available]	low	0	0	imidazoles
burimamide	[no description available]	low	0	0	imidazoles
carnidazole	[no description available]	low	0	0	C-nitro compound; imidazoles
2-methoxy-4-[5-methyl-3-(2-oxolanylmethylamino)-2-imidazo[1,2-a]pyridinyl]phenol	[no description available]	low	0	0	imidazoles
4-[3-(1,3-benzodioxol-5-ylmethylamino)-7-methyl-2-imidazo[1,2-a]pyridinyl]phenol	[no description available]	low	0	0	imidazoles
2-[[5-(4-fluorophenyl)-1-methyl-2-imidazolyl]thio]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone	[no description available]	low	0	0	imidazoles
N-[3-(diethylamino)propyl]-6-(4-fluorophenyl)-3-methyl-2-imidazo[2,1-b]thiazolecarboxamide	[no description available]	low	0	0	imidazoles
N-(1,3-benzodioxol-5-yl)-3-methyl-6-phenyl-2-imidazo[2,1-b]thiazolecarboxamide	[no description available]	low	0	0	imidazoles
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[[1-(3-methylphenyl)-2-imidazolyl]thio]acetamide	[no description available]	low	0	0	imidazoles
4-[[2-(4-methoxyphenyl)-6-imidazo[2,1-b][1,3]benzothiazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester	[no description available]	low	0	0	imidazoles
4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-imidazo[1,2-a]pyrimidinyl]phenol	[no description available]	low	0	0	imidazoles
5-(1,3-benzodioxol-5-yl)-3-[3-(methylthio)phenyl]-1H-imidazol-2-one	[no description available]	low	0	0	imidazoles
2-(2-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide	[no description available]	low	0	0	imidazoles
1-phenyl-2-[[4-(trifluoromethyl)phenyl]methylthio]imidazole	[no description available]	low	0	0	imidazoles
1-[6-(4-chlorophenyl)-5-imidazo[2,1-b]thiazolyl]-N-[(3,4-dichlorophenyl)methoxy]methanimine	[no description available]	low	0	0	imidazoles
4-[(3-methyl-5-nitro-4-imidazolyl)amino]phenol	[no description available]	low	0	0	C-nitro compound; imidazoles
4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-2-(methylthio)imidazole	[no description available]	low	0	0	imidazoles
4-[(7-methyl-2-phenyl-3-imidazo[1,2-a]pyridinyl)methyl]morpholine	[no description available]	low	0	0	imidazoles
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide	[no description available]	low	0	0	benzamides; benzodioxoles; imidazoles; pyridines	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[1-(4-ethoxyphenyl)-2-imidazolyl]thio]ethanone	[no description available]	low	0	0	imidazoles
2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide	[no description available]	low	0	0	imidazoles
N-(4-tert-butylphenyl)-2-[4-(1-imidazolyl)phenoxy]acetamide	[no description available]	low	0	0	imidazoles
2-[[4-(3,4-dimethylphenyl)-1-phenyl-2-imidazolyl]thio]-N-(1,1-dioxo-3-thiolanyl)acetamide	[no description available]	low	0	0	imidazoles
6-(4-methoxyphenyl)-N,3-dimethyl-2-imidazo[2,1-b]thiazolecarboxamide	[no description available]	low	0	0	imidazoles
eprosartan	[no description available]	low	0	0	dicarboxylic acid; imidazoles; thiophenes	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic
2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide	[no description available]	low	0	0	imidazoles
N-[(3-methyl-6-imidazo[2,1-b]thiazolyl)methyl]-1-propanesulfonamide	[no description available]	low	0	0	imidazoles
oxiconazole	[no description available]	low	0	0	conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; oxime O-ether	antiinfective agent
3-[(1S)-1-phenylethyl]-4-imidazolecarboxylic acid ethyl ester	[no description available]	low	0	0	imidazoles
d 4476	[no description available]	low	0	0	imidazoles
azanidazole	[no description available]	low	0	0	C-nitro compound; imidazoles
4-[4-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-imidazol-5-yl]pyridine	[no description available]	low	0	0	imidazoles
N-[5-(2-imidazo[1,2-a]pyrimidinyl)-2-methoxyphenyl]-2-methylpropanamide	[no description available]	low	0	0	imidazoles
4-[3-(3-methylanilino)-2-imidazo[1,2-a]pyrimidinyl]phenol	[no description available]	low	0	0	imidazoles
2-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)-3-imidazo[1,2-a]pyrimidinamine	[no description available]	low	0	0	imidazoles
N-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)-3-imidazo[1,2-a]pyrazinamine	[no description available]	low	0	0	imidazoles
sb-505124	[no description available]	low	0	0	benzodioxole; imidazoles; methylpyridines	TGFbeta receptor antagonist
cyazofamid	[no description available]	low	0	0	imidazole fungicide; imidazoles; nitrile; organochlorine compound; sulfamides; sulfonamide fungicide	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor
npi 2358	[no description available]	low	0	0	2,5-diketopiperazines; benzenes; imidazoles; olefinic compound	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; microtubule-destabilising agent
l-779,450	[no description available]	low	0	0	imidazoles
chir 99021	[no description available]	low	0	0	aminopyridine; aminopyrimidine; cyanopyridine; diamine; dichlorobenzene; imidazoles; secondary amino compound	EC 2.7.11.26 (tau-protein kinase) inhibitor
4-(6-iodo-2-imidazo[1,2-a]pyridinyl)-N,N-dimethylaniline	[no description available]	low	0	0	imidazoles
eluxadoline	[no description available]	low	0	0	amino acid amide; benzamides; imidazoles; L-phenylalanine derivative; methoxybenzoic acid	delta-opioid receptor antagonist; gastrointestinal drug; kappa-opioid receptor agonist; mu-opioid receptor agonist
cenicriviroc	[no description available]	low	0	0	aromatic ether; benzazocine; diether; imidazoles; secondary carboxamide; sulfoxide	anti-HIV agent; anti-inflammatory agent; antirheumatic drug; chemokine receptor 2 antagonist; chemokine receptor 5 antagonist
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3h-imidazol-4-yl)pyrimidin-2-ylamine	[no description available]	low	0	0	aminopyrimidine; imidazoles; monofluorobenzenes	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
imidazoleacetic acid ribotide	[no description available]	low	0	0	imidazoles; monocarboxylic acid; N-glycosyl compound; ribose monophosphate
cefpodoxime	[no description available]	low	0	0	imidazoles
sgi 1776	[no description available]	low	0	0	imidazoles
bms-790052	[no description available]	low	0	0	biphenyls; carbamate ester; carboxamide; imidazoles; valine derivative	antiviral drug; nonstructural protein 5A inhibitor
9-(3,5-difluorophenyl)-6-(ethylamino)-2-purinecarbonitrile	[no description available]	low	0	0	imidazoles
chir 98014	[no description available]	low	0	0	aminopyrimidine; C-nitro compound; diaminopyridine; dichlorobenzene; imidazoles; secondary amino compound	antineoplastic agent; apoptosis inducer; EC 2.7.11.26 (tau-protein kinase) inhibitor; hypoglycemic agent; tau aggregation inhibitor; Wnt signalling activator
ledipasvir	[no description available]	low	0	0	azaspiro compound; benzimidazole; bridged compound; carbamate ester; carboxamide; fluorenes; imidazoles; L-valine derivative; N-acylpyrrolidine; organofluorine compound	antiviral drug; hepatitis C protease inhibitor
gs-5816	[no description available]	low	0	0	carbamate ester; ether; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heteropentacyclic compound; ring assembly	antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor
mk-8742	[no description available]	low	0	0	carbamate ester; imidazoles; L-valine derivative; N-acylpyrrolidine; organic heterotetracyclic compound; ring assembly	antiviral drug; hepatitis C virus nonstructural protein 5A inhibitor; hepatoprotective agent
sb-590885	[no description available]	low	0	0	aromatic ether; imidazoles; ketoxime; pyridines; tertiary amino compound
quinacrine	[no description available]	low	0	0	acridines; aromatic ether; organochlorine compound; tertiary amino compound	antimalarial; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
vanilmandelic acid	[no description available]	low	0	0	2-hydroxy monocarboxylic acid; aromatic ether; phenols	human metabolite
4-(2,4-dichlorophenoxy)butyric acid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organochlorine compound	agrochemical; phenoxy herbicide; synthetic auxin
win 52035	[no description available]	low	0	0	aromatic ether
win 52084	[no description available]	low	0	0	aromatic ether
5-(nonyloxy)tryptamine	[no description available]	low	0	0	aromatic ether; primary amino compound; tryptamines	serotonergic agonist
methylbufotenin	[no description available]	low	0	0	aromatic ether; tertiary amino compound; tryptamine alkaloid	hallucinogen; plant metabolite
5-methoxytryptamine	[no description available]	low	0	0	aromatic ether; primary amino compound; tryptamines	5-hydroxytryptamine 2A receptor agonist; 5-hydroxytryptamine 2B receptor agonist; 5-hydroxytryptamine 2C receptor agonist; antioxidant; cardioprotective agent; human metabolite; mouse metabolite; neuroprotective agent; radiation protective agent; serotonergic agonist
ro 48-8071	[no description available]	low	0	0	aromatic ether; aromatic ketone; bromobenzenes; monofluorobenzenes; olefinic compound; tertiary amino compound	antineoplastic agent; EC 5.4.99.7 (lanosterol synthase) inhibitor
amsacrine	[no description available]	low	0	0	acridines; aromatic ether; sulfonamide	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
aristolochic acid i	[no description available]	low	0	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
2,4-dihydroxy-7-methoxy-1,4-benzoxazin-3-one	[no description available]	low	0	0	aromatic ether; benzoxazine; cyclic hydroxamic acid; lactol	allelochemical; plant metabolite
bufetolol	[no description available]	low	0	0	aromatic ether
bunitrolol	[no description available]	low	0	0	aromatic ether
bupranolol	[no description available]	low	0	0	aromatic ether
verapamil	[no description available]	low	0	0	aromatic ether; nitrile; polyether; tertiary amino compound
cgp 12177	[no description available]	low	0	0	aromatic ether; benzimidazoles; secondary alcohol; secondary amino compound	beta-adrenergic antagonist
ciglitazone	[no description available]	low	0	0	aromatic ether; thiazolidinone	antineoplastic agent; insulin-sensitizing drug
cirazoline	[no description available]	low	0	0	aromatic ether
colchicine, (+-)-isomer	[no description available]	low	0	0	acetamides; alkaloid; aromatic ether; carbotricyclic compound	microtubule-destabilising agent; plant metabolite
cypermethrin	[no description available]	low	0	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound	agrochemical; molluscicide; pyrethroid ester acaricide; pyrethroid ester insecticide
racemethorphan	[no description available]	low	0	0	aromatic ether; morphinane alkaloid; morphinane-like compound; organic heterotetracyclic compound
dibucaine	[no description available]	low	0	0	aromatic ether; monocarboxylic acid amide; tertiary amino compound	topical anaesthetic
dilacor xr	[no description available]	low	0	0	acetate ester; aromatic ether; benzothiazepine; lactam; tertiary amino compound
domiphen	[no description available]	low	0	0	aromatic ether
donepezil	[no description available]	low	0	0	aromatic ether; indanones; piperidines; racemate	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent
epirizole	[no description available]	low	0	0	aromatic ether
ethacrynic acid	[no description available]	low	0	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid	EC 2.5.1.18 (glutathione transferase) inhibitor; ion transport inhibitor; loop diuretic
ethoxyquin	[no description available]	low	0	0	aromatic ether; quinolines	antifungal agrochemical; food antioxidant; genotoxin; geroprotector; herbicide; Hsp90 inhibitor; neuroprotective agent; UDP-glucuronosyltransferase activator
ethoxzolamide	[no description available]	low	0	0	aromatic ether; benzothiazoles; sulfonamide	antiglaucoma drug; diuretic; EC 4.2.1.1 (carbonic anhydrase) inhibitor
2-hexyloxybenzamide	[no description available]	low	0	0	aromatic ether; benzamides	antifungal agent
carbonyl cyanide p-trifluoromethoxyphenylhydrazone	[no description available]	low	0	0	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore
flecainide	[no description available]	low	0	0	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug
gallamine triethiodide	[no description available]	low	0	0	aromatic ether
gemfibrozil	[no description available]	low	0	0	aromatic ether	antilipemic drug
haloprogin	[no description available]	low	0	0	aromatic ether
ipriflavone	[no description available]	low	0	0	aromatic ether; isoflavones	bone density conservation agent
ly 171883	[no description available]	low	0	0	acetophenones; aromatic ether; phenols; tetrazoles	anti-asthmatic drug; leukotriene antagonist
methocarbamol	[no description available]	low	0	0	aromatic ether; carbamate ester; secondary alcohol
methoctramine	[no description available]	low	0	0	aromatic ether; tetramine	muscarinic antagonist
methoxsalen	[no description available]	low	0	0	aromatic ether; psoralens	antineoplastic agent; cross-linking reagent; dermatologic drug; photosensitizing agent; plant metabolite
metoprolol	[no description available]	low	0	0	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic
mexiletine	[no description available]	low	0	0	aromatic ether; primary amino compound	anti-arrhythmia drug
midodrine	[no description available]	low	0	0	amino acid amide; aromatic ether; secondary alcohol	alpha-adrenergic agonist; prodrug; sympathomimetic agent; vasoconstrictor agent
clorgyline	[no description available]	low	0	0	aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound	antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor
nimesulide	[no description available]	low	0	0	aromatic ether; C-nitro compound; sulfonamide	cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug
nisoxetine	[no description available]	low	0	0	aromatic ether; secondary amino compound	adrenergic uptake inhibitor; antidepressant
n-(2-cyclohexyloxy-4-nitrophenyl)methanesulfonamide	[no description available]	low	0	0	aromatic ether; C-nitro compound; sulfonamide	antineoplastic agent; cyclooxygenase 2 inhibitor
omeprazole	[no description available]	low	0	0	aromatic ether; benzimidazoles; pyridines; sulfoxide
oxprenolol	[no description available]	low	0	0	aromatic ether
pantoprazole	[no description available]	low	0	0	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic
pd 153035	[no description available]	low	0	0	aromatic amine; aromatic ether; bromobenzenes; quinazolines; secondary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; epidermal growth factor receptor antagonist
pentamidine	[no description available]	low	0	0	aromatic ether; carboxamidine; diether	anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic
phenacetin	[no description available]	low	0	0	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug
pioglitazone	[no description available]	low	0	0	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
piretanide	[no description available]	low	0	0	aromatic ether
pramoxine	[no description available]	low	0	0	aromatic ether; morpholines	local anaesthetic
prazosin	[no description available]	low	0	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
primaquine	[no description available]	low	0	0	aminoquinoline; aromatic ether; N-substituted diamine	antimalarial
propoxur	[no description available]	low	0	0	aromatic ether; carbamate ester	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor
pyrilamine	[no description available]	low	0	0	aromatic ether; ethylenediamine derivative	H1-receptor antagonist
sulfadimethoxine	[no description available]	low	0	0	aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic
tetrahydropapaverine	[no description available]	low	0	0	aromatic ether; benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; polyether; secondary amino compound
tilorone	[no description available]	low	0	0	aromatic ether; diether; fluoren-9-ones; tertiary amino compound	anti-inflammatory agent; antineoplastic agent; antiviral agent; interferon inducer; nicotinic acetylcholine receptor agonist
ultram	[no description available]	low	0	0	aromatic ether; tertiary alcohol; tertiary amino compound
viloxazine	[no description available]	low	0	0	aromatic ether
wb 4101	[no description available]	low	0	0	aromatic ether; benzodioxine; secondary amino compound	alpha-adrenergic antagonist
3,3',5-triiodothyropropionic acid	[no description available]	low	0	0	aromatic ether
methacetin	[no description available]	low	0	0	acetamides; aromatic ether
mestranol	[no description available]	low	0	0	17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound	prodrug; xenoestrogen
visnagin	[no description available]	low	0	0	aromatic ether; furanochromone; polyketide	anti-inflammatory agent; antihypertensive agent; EC 1.1.1.37 (malate dehydrogenase) inhibitor; phytotoxin; plant metabolite; vasodilator agent
2-tert-butyl-4-hydroxyanisole	[no description available]	low	0	0	aromatic ether; phenols
phenetidine	[no description available]	low	0	0	aromatic ether; substituted aniline
4-bromophenyl phenyl ether	[no description available]	low	0	0	aromatic ether; organobromine compound
di-(4-aminophenyl)ether	[no description available]	low	0	0	aromatic ether
phenyl ether	[no description available]	low	0	0	aromatic ether	plant metabolite
diglycidyl resorcinol ether	[no description available]	low	0	0	aromatic ether
phenetole	[no description available]	low	0	0	aromatic ether
scoparone	[no description available]	low	0	0	aromatic ether; coumarins	anti-allergic agent; anti-inflammatory agent; antihypertensive agent; antilipemic drug; immunosuppressive agent; plant metabolite
dimethoxyphenylethylamine	[no description available]	low	0	0	alkaloid; aromatic ether; phenylethylamine	allergen; plant metabolite
dichlorprop	[no description available]	low	0	0	aromatic ether; dichlorobenzene; monocarboxylic acid
3-tert-butyl-4-hydroxyanisole	[no description available]	low	0	0	aromatic ether; phenols	antioxidant; human xenobiotic metabolite
ethyl vanillin	[no description available]	low	0	0	aromatic ether; benzaldehydes; phenols	antioxidant; flavouring agent
benzethonium chloride	[no description available]	low	0	0	aromatic ether; chloride salt; quaternary ammonium salt	antibacterial agent; antifungal agent; antiseptic drug; antiviral agent; disinfectant
peucedanin	[no description available]	low	0	0	aromatic ether; furanocoumarin; lactone	plant metabolite
phenetidine	[no description available]	low	0	0	aromatic ether; primary amino compound; substituted aniline	drug metabolite
6-methoxybenzoxazolinone	[no description available]	low	0	0	aromatic ether; benzoxazole	antibacterial agent; anticonvulsant; antifungal agent; muscle relaxant; plant metabolite
3-anisidine	[no description available]	low	0	0	aromatic ether; substituted aniline
domiphen bromide	[no description available]	low	0	0	aromatic ether
dibrompropamidine	[no description available]	low	0	0	aromatic ether
4-Ethoxyphenol	[no description available]	low	0	0	aromatic ether; phenols
bulbocapnine	[no description available]	low	0	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
benzydamine	[no description available]	low	0	0	aromatic ether; indazoles; tertiary amino compound	analgesic; central nervous system stimulant; hallucinogen; local anaesthetic; non-steroidal anti-inflammatory drug
xylocholine	[no description available]	low	0	0	aromatic ether
3-methoxycatechol	[no description available]	low	0	0	aromatic ether; catechols	G-protein-coupled receptor agonist
2-phenoxypropanoic acid	[no description available]	low	0	0	aromatic ether; carboxylic acid
6-methoxyquinoline	[no description available]	low	0	0	aromatic ether; quinolines
metaxalone	[no description available]	low	0	0	aromatic ether
heliamine	[no description available]	low	0	0	aromatic ether; diether; isoquinoline alkaloid; isoquinolines	plant metabolite
2,4,6-trichlorophenyl 4-nitrophenyl ether	[no description available]	low	0	0	aromatic ether; C-nitro compound; chlorobenzenes	EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
etridiazol	[no description available]	low	0	0	aromatic ether; organochlorine compound; thiadiazole antifungal agent; thiadiazoles	antifungal agrochemical; nitrification inhibitor
toliprolol	[no description available]	low	0	0	aromatic ether
5-methoxyindoleacetic acid	[no description available]	low	0	0	aromatic ether; indole-3-acetic acids	antibacterial agent; Brassica napus metabolite; carcinogenic agent; human urinary metabolite; marine xenobiotic metabolite; rat metabolite
iproclozide	[no description available]	low	0	0	aromatic ether
phenoxyacetic acid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid	allergen; Aspergillus metabolite; human xenobiotic metabolite; plant growth retardant
nafenopin	[no description available]	low	0	0	aromatic ether; monocarboxylic acid
methyl vanillate	[no description available]	low	0	0	aromatic ether; benzoate ester; phenols	antioxidant; plant metabolite
5-methoxyindole-2-carboxylic acid	[no description available]	low	0	0	aromatic ether; indolecarboxylic acid	EC 1.8.1.4 (dihydrolipoyl dehydrogenase) inhibitor; hypoglycemic agent; plant metabolite
2-isopropoxyphenol	[no description available]	low	0	0	aromatic ether; phenols
dehydroemetine	[no description available]	low	0	0	aromatic ether; isoquinolines; pyridoisoquinoline	antileishmanial agent; antimalarial; antiprotozoal drug
1,2-epoxy-3-(p-nitrophenoxy)propane	[no description available]	low	0	0	aromatic ether; C-nitro compound; epoxide
laurolitsine	[no description available]	low	0	0	aporphine alkaloid; aromatic ether; phenols	HIV-1 integrase inhibitor; metabolite
metocurine iodide	[no description available]	low	0	0	aromatic ether
ac 45594	[no description available]	low	0	0	aromatic ether
3-phenoxybenzylalcohol	[no description available]	low	0	0	aromatic ether; benzyl alcohols	marine xenobiotic metabolite
devrinol	[no description available]	low	0	0	aromatic ether; monocarboxylic acid amide; naphthalenes
fluorodifen	[no description available]	low	0	0	aromatic ether
acridine half-mustard	[no description available]	low	0	0	aminoacridines; aromatic ether; organochlorine compound; secondary amino compound	mutagen
precocene i	[no description available]	low	0	0	aromatic ether; chromenes	plant metabolite; precocenes
oxadiazon	[no description available]	low	0	0	aromatic ether
phenylglycidyl ether	[no description available]	low	0	0	aromatic ether
phenoxyethanol	[no description available]	low	0	0	aromatic ether; glycol ether; primary alcohol	antiinfective agent; central nervous system depressant
metipranolol	[no description available]	low	0	0	acetate ester; aromatic ether; propanolamine; secondary amino compound	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
silybin	[no description available]	low	0	0	aromatic ether; benzodioxine; flavonolignan; polyphenol; secondary alpha-hydroxy ketone	antineoplastic agent; antioxidant; hepatoprotective agent; plant metabolite
oxamethacin	[no description available]	low	0	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
canadine	[no description available]	low	0	0	aromatic ether; berberine alkaloid; organic heteropentacyclic compound; oxacycle
7-ethoxycoumarin	[no description available]	low	0	0	aromatic ether; coumarins
medifoxamine	[no description available]	low	0	0	aromatic ether
chlormethoxynil	[no description available]	low	0	0	aromatic ether
4-hexyloxyaniline	[no description available]	low	0	0	aromatic ether; substituted aniline
ticrynafen	[no description available]	low	0	0	aromatic ether; aromatic ketone; dichlorobenzene; monocarboxylic acid; thiophenes	antihypertensive agent; hepatotoxic agent; loop diuretic
2-(4-(2,4-dichlorophenoxy)phenoxy)propionic acid	[no description available]	low	0	0	aromatic ether; dichlorobenzene; diether; monocarboxylic acid
oxyfluorofen	[no description available]	low	0	0	aromatic ether	EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
levobunolol	[no description available]	low	0	0	aromatic ether; cyclic ketone; propanolamine	antiglaucoma drug; beta-adrenergic antagonist
dichlorfop-methyl	[no description available]	low	0	0	aromatic ether; dichlorobenzene; diether; methyl ester
decamethrin	[no description available]	low	0	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organobromine compound	agrochemical; antifeedant; calcium channel agonist; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; pyrethroid ester insecticide
triclopyr	[no description available]	low	0	0	aromatic ether; chloropyridine; monocarboxylic acid	agrochemical; environmental contaminant; herbicide; xenobiotic
prenalterol	[no description available]	low	0	0	aromatic ether
st 1059	[no description available]	low	0	0	aromatic ether; primary amino compound; secondary alcohol	alpha-adrenergic agonist; sympathomimetic agent; vasoconstrictor agent
paroxetine	[no description available]	low	0	0	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor
acifluorfen	[no description available]	low	0	0	aromatic ether; benzoic acids; C-nitro compound; monocarboxylic acid; organochlorine compound; organofluorine compound	agrochemical; EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
bopindolol	[no description available]	low	0	0	aromatic ether; benzoate ester; methylindole; secondary amino compound
fenpropathrin, (+-)-isomer	[no description available]	low	0	0	aromatic ether; cyclopropanecarboxylate ester	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide
flutolanil	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; benzamides; benzanilide fungicide	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
fenoxaprop ethyl	[no description available]	low	0	0	aromatic ether
triclabendazole	[no description available]	low	0	0	aromatic ether
4,5-amino-3,5-dichloro-6-fluoro-2-pyridinyloxyacetic acid	[no description available]	low	0	0	aminopyridine; aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound	environmental contaminant; herbicide; xenobiotic
haloxyfop	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines
fluazifop-butyl	[no description available]	low	0	0	aromatic ether; carboxylic ester; organofluorine compound; pyridines
fenoxycarb	[no description available]	low	0	0	aromatic ether; carbamate ester	environmental contaminant; insecticide; juvenile hormone mimic; xenobiotic
quizalofop-ethyl	[no description available]	low	0	0	aromatic ether; ethyl ester; organochlorine compound; quinoxaline derivative
cetamolol	[no description available]	low	0	0	aromatic ether
atomoxetine	[no description available]	low	0	0	aromatic ether; secondary amino compound; toluenes	adrenergic uptake inhibitor; antidepressant; environmental contaminant; xenobiotic
methyl bensulfuron	[no description available]	low	0	0	aromatic ether; methyl ester; N-sulfonylurea; pyrimidines	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide
itraconazole	[no description available]	low	0	0	aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles	EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor
loxtidine	[no description available]	low	0	0	aromatic ether; piperidines; primary alcohol; triazoles	H2-receptor antagonist
disoxaril	[no description available]	low	0	0	aromatic ether
chlorimuron ethyl	[no description available]	low	0	0	aromatic ether; ethyl ester; N-sulfonylurea; organochlorine pesticide; pyrimidines; sulfamoylbenzoate	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; proherbicide
esmolol	[no description available]	low	0	0	aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound
pioglitazone hydrochloride	[no description available]	low	0	0	aromatic ether
sulfametrole	[no description available]	low	0	0	aromatic ether; substituted aniline; sulfonamide antibiotic; thiadiazoles
propamidine	[no description available]	low	0	0	aromatic ether; guanidines; polyether	antimicrobial agent; antiseptic drug
hexamidine	[no description available]	low	0	0	aromatic ether; guanidines; polyether	antimicrobial agent; antiseptic drug
o-4-methylthymine	[no description available]	low	0	0	aromatic ether; methylthymine	human metabolite
fenclofenac	[no description available]	low	0	0	aromatic ether
tetraiodothyroacetic acid	[no description available]	low	0	0	2-halophenol; aromatic ether; iodophenol; monocarboxylic acid	apoptosis inducer; human metabolite; thyroid hormone
etiroxate	[no description available]	low	0	0	aromatic ether
etofamide	[no description available]	low	0	0	aromatic ether
d 888	[no description available]	low	0	0	aromatic ether; nitrile; tertiary amino compound	anti-arrhythmia drug; calcium channel blocker; vasodilator agent
esreboxetine	[no description available]	low	0	0	aromatic ether
guaethol	[no description available]	low	0	0	aromatic ether; phenols; volatile organic compound	flavouring agent
spiramide	[no description available]	low	0	0	aromatic ether; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; serotonergic antagonist
5'-nitro-2'-propoxyacetanilide	[no description available]	low	0	0	aromatic ether; C-nitro compound
suberosin	[no description available]	low	0	0	aromatic ether; coumarins	anticoagulant; plant metabolite
4-methoxyestradiol	[no description available]	low	0	0	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; phenols	estrogen; human metabolite; rat metabolite
toltrazuril	[no description available]	low	0	0	aromatic ether
plafibride	[no description available]	low	0	0	aromatic ether
cinitapride	[no description available]	low	0	0	aromatic ether; C-nitro compound
isoscopoletin	[no description available]	low	0	0	aromatic ether; hydroxycoumarin	plant metabolite
ethofenprox	[no description available]	low	0	0	aromatic ether	pyrethroid ether insecticide
uk 68798	[no description available]	low	0	0	aromatic ether; sulfonamide; tertiary amino compound	anti-arrhythmia drug; potassium channel blocker
hp 873	[no description available]	low	0	0	1,2-benzoxazoles; aromatic ether; aromatic ketone; methyl ketone; monoamine; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; second generation antipsychotic; serotonergic antagonist
fenoxypropazine	[no description available]	low	0	0	aromatic ether
fluphenacur	[no description available]	low	0	0	aromatic ether; benzoylurea insecticide; dichlorobenzene; N-acylurea; organofluorine compound
amezinium	[no description available]	low	0	0	aromatic ether; primary arylamine; pyridazinium ion	adrenergic uptake inhibitor; antihypotensive agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; sympathomimetic agent
rubrofusarin	[no description available]	low	0	0	aromatic ether; benzochromenone; phenols; polyketide	biological pigment; EC 1.14.18.1 (tyrosinase) inhibitor; fungal metabolite
triasulfuron	[no description available]	low	0	0	1,3,5-triazines; aromatic ether; N-sulfonylurea; organochlorine compound	agrochemical; herbicide
dauricine	[no description available]	low	0	0	aromatic ether; bisbenzylisoquinoline alkaloid; isoquinolines; phenols; tertiary amino compound	plant metabolite
uvaretin	[no description available]	low	0	0	aromatic ether; dihydrochalcones; polyketide; resorcinol	antineoplastic agent; plant metabolite
fangchinoline	[no description available]	low	0	0	aromatic ether; bisbenzylisoquinoline alkaloid; macrocycle	anti-HIV-1 agent; anti-inflammatory agent; antineoplastic agent; antioxidant; neuroprotective agent; plant metabolite
stictic acid	[no description available]	low	0	0	aromatic ether
pramoxine hydrochloride	[no description available]	low	0	0	aromatic ether
4-methoxybenzylamine	[no description available]	low	0	0	aralkylamino compound; aromatic ether; primary amino compound
xanthurenic acid 8-methyl ether	[no description available]	low	0	0	aromatic ether; monohydroxyquinoline; quinolinemonocarboxylic acid	carcinogenic agent; metabolite; mouse metabolite
adriamycinol	[no description available]	low	0	0	aminoglycoside; anthracycline antibiotic; aromatic ether; deoxy hexoside; p-quinones; phenols; polyol; tetracenequinones	cardiotoxic agent; drug metabolite
difenoconazole	[no description available]	low	0	0	aromatic ether; conazole fungicide; cyclic ketal; dioxolane; triazole fungicide; triazoles	antifungal agrochemical; EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor; environmental contaminant; xenobiotic
a 8947	[no description available]	low	0	0	aromatic ether; biaryl; N-sulfonylurea; pyrazole pesticide; tetrazoles	EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide
thifluzamide	[no description available]	low	0	0	1,3-thiazoles; anilide fungicide; aromatic amide; aromatic ether; dibromobenzene; organofluorine compound	antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor
ethylhydrocupreine	[no description available]	low	0	0	aromatic ether; cinchona alkaloid	EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
7,8-dihydromethysticin	[no description available]	low	0	0	2-pyranones; aromatic ether
4,5-dimethoxy-2-nitrobenzaldehyde	[no description available]	low	0	0	aromatic ether; C-nitro compound
bisphenol f diglycidyl ether	[no description available]	low	0	0	aromatic ether; diarylmethane; epoxide
oryzemate	[no description available]	low	0	0	1,2-benzisothiazole; aromatic ether; benzothiazole fungicide; sulfone	antifungal agrochemical; plant activator
bitertanol	[no description available]	low	0	0	aromatic ether; biphenyls; secondary alcohol; triazoles
fluazifop	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organofluorine compound; pyridines
diflufenican	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; pyridinecarboxamide	carotenoid biosynthesis inhibitor; environmental contaminant; herbicide; xenobiotic
hexafluoron	[no description available]	low	0	0	aromatic ether; benzoylurea insecticide; dichlorobenzene; N-acylurea; organochlorine insecticide; organofluorine insecticide
diethofencarb	[no description available]	low	0	0	aromatic ether; carbamate ester; carbanilate fungicide	antifungal agrochemical
pyriproxyfen	[no description available]	low	0	0	aromatic ether; pyridines	juvenile hormone mimic
methyl 2-(((((4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)benzoate	[no description available]	low	0	0	aromatic ether; benzoate ester; diamino-1,3,5-triazine; methyl ester; N-sulfonylurea	EC 2.2.1.6 (acetolactate synthase) inhibitor; herbicide
dpx e9636	[no description available]	low	0	0	aromatic ether; N-sulfonylurea; pyridines; pyrimidines; sulfone	environmental contaminant; herbicide; xenobiotic
cinosulfuron	[no description available]	low	0	0	aromatic ether
clodinafop-propargyl	[no description available]	low	0	0	aromatic ether; carboxylic ester; organochlorine compound; organofluorine compound; propyzamide; pyridines	agrochemical; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; herbicide
triflusulfuron-methyl	[no description available]	low	0	0	1,3,5-triazines; aromatic ether; benzoate ester; methyl ester; N-sulfonylurea; organofluorine compound; tertiary amino compound	agrochemical; EC 2.2.1.6 (acetolactate synthase) inhibitor; proherbicide
vestitol	[no description available]	low	0	0	aromatic ether; hydroxyisoflavans; methoxyisoflavan	anti-inflammatory agent; phytoalexin; plant metabolite
laudanine	[no description available]	low	0	0	aromatic ether; benzylisoquinoline alkaloid; benzyltetrahydroisoquinoline; phenols; racemate
cryptopleurine	[no description available]	low	0	0	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	antineoplastic agent; antiviral agent; protein synthesis inhibitor
6-hydroxymethylmexiletine	[no description available]	low	0	0	aromatic ether
4-hydroxymexiletine	[no description available]	low	0	0	aromatic ether; phenols
cloquintocet-mexyl	[no description available]	low	0	0	aromatic ether; carboxylic ester; organochlorine compound; quinolines
bursehernin	[no description available]	low	0	0	aromatic ether; benzodioxoles; butan-4-olide; lignan	plant metabolite
2,2',4,4'-tetrabromodiphenyl ether	[no description available]	low	0	0	aromatic ether; organobromine compound
allocryptopine	[no description available]	low	0	0	aromatic ether; cyclic acetal; cyclic ketone; dibenzazecine alkaloid; organic heterotetracyclic compound; tertiary amino compound
sporidesmin	[no description available]	low	0	0	aromatic ether; cyclic ketone; diketone; organic disulfide; organic heteropentacyclic compound; organochlorine compound; secondary alcohol; tertiary alcohol; tertiary amino compound	mycotoxin; Wnt signalling activator
syringaresinol	[no description available]	low	0	0	aromatic ether; furofuran; lignan; polyether; polyphenol	plant metabolite
p-methoxy-n-methylphenethylamine	[no description available]	low	0	0	aromatic ether; secondary amino compound	metabolite
aflatoxin q1	[no description available]	low	0	0	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human xenobiotic metabolite
u 73122	[no description available]	low	0	0	aromatic ether; aza-steroid; maleimides	EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor
cyfluthrin	[no description available]	low	0	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester insecticide
norverapamil	[no description available]	low	0	0	aromatic ether; nitrile; polyether; secondary amino compound
fumitremorgin a	[no description available]	low	0	0	aromatic ether; diol; indole alkaloid; organic heterohexacyclic compound; organic peroxide	mycotoxin
deguelin	[no description available]	low	0	0	aromatic ether; diether; organic heteropentacyclic compound; rotenones	angiogenesis inhibitor; anti-inflammatory agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor; plant metabolite
aristolochic acid ii	[no description available]	low	0	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
tephrosin	[no description available]	low	0	0	aromatic ether; cyclic ketone; organic heteropentacyclic compound; rotenones	antineoplastic agent; metabolite; pesticide
alpha-hydroxymetoprolol	[no description available]	low	0	0	aromatic ether
5-(tetradecyloxy)-2-furancarboxylic acid	[no description available]	low	0	0	aromatic ether; furoic acid	antineoplastic agent; apoptosis inducer; EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; PPARalpha agonist
tafenoquine	[no description available]	low	0	0	(trifluoromethyl)benzenes; aminoquinoline; aromatic ether; primary amino compound; secondary amino compound
5-hydroxymethylomeprazole	[no description available]	low	0	0	aromatic ether; benzimidazoles; pyridines; sulfoxide	drug metabolite
ym 12617	[no description available]	low	0	0	aromatic ether; secondary amino compound; sulfonamide
cgp 28392	[no description available]	low	0	0	aromatic ether
sodium-binding benzofuran isophthalate	[no description available]	low	0	0	1-benzofurans; aromatic ether; crown compound; tetracarboxylic acid	fluorochrome
garenoxacin	[no description available]	low	0	0	aromatic ether; cyclopropanes; isoindoles; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic	antibacterial drug; non-steroidal anti-inflammatory drug
ay 25545	[no description available]	low	0	0	acetate ester; aromatic ether; C-glycosyl compound; naphthoisochromene; olefinic compound; phenols; tertiary amine	antimicrobial agent; antineoplastic agent; bacterial metabolite
reboxetine	[no description available]	low	0	0	aromatic ether
b 823-08	[no description available]	low	0	0	aromatic ether
cyclazosin	[no description available]	low	0	0	aromatic amide; aromatic ether; furans; monocarboxylic acid amide; quinazolines; quinoxaline derivative	adenosine A2A receptor antagonist
ivabradine	[no description available]	low	0	0	aromatic ether; benzazepine; carbobicyclic compound; tertiary amino compound	cardiotonic drug
febuxostat	[no description available]	low	0	0	1,3-thiazolemonocarboxylic acid; aromatic ether; nitrile	EC 1.17.3.2 (xanthine oxidase) inhibitor
marsupsin	[no description available]	low	0	0	1-benzofurans; aromatic ether; polyphenol	antilipemic drug; hypoglycemic agent; metabolite
6,6'-bieckol	[no description available]	low	0	0	aromatic ether; oxacycle; phlorotannin	anti-HIV-1 agent; metabolite; radical scavenger
xibenolol	[no description available]	low	0	0	aromatic ether
cicloprolol	[no description available]	low	0	0	aromatic ether
chs 828	[no description available]	low	0	0	aromatic ether
2-(4-methoxyphenoxy)propanoic acid	[no description available]	low	0	0	aromatic ether; carboxylic acid
moxifloxacin	[no description available]	low	0	0	aromatic ether; cyclopropanes; fluoroquinolone antibiotic; pyrrolidinopiperidine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug
rp 73401	[no description available]	low	0	0	aromatic ether; benzamides; chloropyridine; monocarboxylic acid amide	anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; phosphodiesterase IV inhibitor
2,2',4,4',5,5'-hexabrominated diphenyl ether	[no description available]	low	0	0	aromatic ether; organobromine compound
varespladib	[no description available]	low	0	0	aromatic ether; benzenes; dicarboxylic acid monoamide; indoles; monocarboxylic acid; primary carboxamide	anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor
birb 796	[no description available]	low	0	0	aromatic ether; morpholines; naphthalenes; pyrazoles; ureas	EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor; immunomodulator
schizandrin b	[no description available]	low	0	0	aromatic ether; cyclic acetal; organic heterotetracyclic compound; oxacycle; tannin	anti-asthmatic agent; anti-inflammatory agent; antilipemic drug; antioxidant; apoptosis inhibitor; hepatoprotective agent; nephroprotective agent; neuroprotective agent; plant metabolite
acrovestone	[no description available]	low	0	0	acetophenones; aromatic ether; olefinic compound; polyphenol	antioxidant; EC 1.14.18.1 (tyrosinase) inhibitor; plant metabolite
corytuberine	[no description available]	low	0	0	aporphine alkaloid; aromatic ether; organic heterotetracyclic compound; polyphenol; tertiary amino compound	plant metabolite
actinodaphine	[no description available]	low	0	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
isohomovanillic acid	[no description available]	low	0	0	aromatic ether; phenols; phenylacetic acids	metabolite
3,5-diiodothyropropionic acid	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organoiodine compound; phenols
7,8-dihydro-5,6-dehydrokawain	[no description available]	low	0	0	2-pyranones; aromatic ether
4-amino-2-methoxypyrimidine	[no description available]	low	0	0	aminopyrimidine; aromatic ether; methylcytosine	metabolite
aristolochic acid D	[no description available]	low	0	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; nephrotoxin; toxin
myricanone	[no description available]	low	0	0	aromatic ether; cyclic ketone; diarylheptanoid; methoxybenzenes; phenols	antineoplastic agent; plant metabolite
pannarin	[no description available]	low	0	0	aldehyde; aromatic ether; depsidones; organic heterotricyclic compound; organochlorine compound; phenols	antimicrobial agent; antineoplastic agent; apoptosis inducer; lichen metabolite
aminopotentidine	[no description available]	low	0	0	aromatic ether; benzamides; guanidines; nitrile; piperidines; substituted aniline	H2-receptor antagonist
aristolochic acid c	[no description available]	low	0	0	aristolochic acids; aromatic ether; C-nitro compound; cyclic acetal; monocarboxylic acid; organic heterotetracyclic compound	carcinogenic agent; metabolite; mutagen; nephrotoxin; toxin
pluviatolide	[no description available]	low	0	0	aromatic ether; benzodioxoles; butan-4-olide; lignan; phenols	plant metabolite
erysodine	[no description available]	low	0	0	aromatic ether; diether; Erythrina alkaloid; organic heterotetracyclic compound; phenols	antiparasitic agent; nicotinic antagonist; phytogenic insecticide
erlotinib	[no description available]	low	0	0	aromatic ether; quinazolines; secondary amino compound; terminal acetylenic compound	antineoplastic agent; epidermal growth factor receptor antagonist; protein kinase inhibitor
rubrofusarin B	[no description available]	low	0	0	aromatic ether; benzochromenone; naphtho-gamma-pyrone; phenols; polyketide	Aspergillus metabolite
ly 293111	[no description available]	low	0	0	aromatic ether
enrasentan	[no description available]	low	0	0	aromatic ether; benzodioxoles; indanes; monocarboxylic acid; monomethoxybenzene; primary alcohol	antihypertensive agent; endothelin receptor antagonist
quizalofop	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organochlorine compound; quinoxaline derivative
cyhalofop-butyl	[no description available]	low	0	0	aromatic ether
cyperin	[no description available]	low	0	0	aromatic ether
aflatoxin b1	[no description available]	low	0	0	aflatoxin; aromatic ether; aromatic ketone	carcinogenic agent; human metabolite
etravirine	[no description available]	low	0	0	aminopyrimidine; aromatic ether; dinitrile; organobromine compound	antiviral agent; HIV-1 reverse transcriptase inhibitor
5-o-methyllicoricidin	[no description available]	low	0	0	aromatic ether; hydroxyisoflavans; methoxyisoflavan	antibacterial agent; plant metabolite
pronuciferine	[no description available]	low	0	0	aromatic ether; cyclic ketone; isoquinoline alkaloid; isoquinolines; organic heterotetracyclic compound	plant metabolite
dronedarone	[no description available]	low	0	0	1-benzofurans; aromatic ether; aromatic ketone; sulfonamide; tertiary amino compound	anti-arrhythmia drug; environmental contaminant; xenobiotic
famoxadone	[no description available]	low	0	0	aromatic ether; carbohydrazide; oxazolidinone
fonsecin	[no description available]	low	0	0	aromatic ether; cyclic hemiketal; heptaketide; naphtho-gamma-pyrone; phenols	Aspergillus metabolite; marine metabolite
lasofoxifene	[no description available]	low	0	0	aromatic ether; N-alkylpyrrolidine; naphthols; tetralins	antineoplastic agent; bone density conservation agent; cardioprotective agent; estrogen receptor agonist; estrogen receptor antagonist
(+-)-Dihydromethysticin	[no description available]	low	0	0	2-pyranones; aromatic ether
2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]aniline	[no description available]	low	0	0	aromatic ether; substituted aniline
chondocurine (1beta)-(+-)-isomer	[no description available]	low	0	0	aromatic ether
1-methyl-4-prop-2-enoxy-2-pyrimidinone	[no description available]	low	0	0	aromatic ether; pyrimidone
noscapine	[no description available]	low	0	0	aromatic ether; benzylisoquinoline alkaloid; cyclic acetal; isobenzofuranone; organic heterobicyclic compound; organic heterotricyclic compound; tertiary amino compound	antineoplastic agent; antitussive; apoptosis inducer; plant metabolite
4-[4-(3-methyl-4-nitrophenoxy)butoxy]benzonitrile	[no description available]	low	0	0	aromatic ether; C-nitro compound
lariciresinol	[no description available]	low	0	0	aromatic ether; lignan; oxolanes; phenols; primary alcohol	antifungal agent; plant metabolite
tryptoquivaline	[no description available]	low	0	0	aromatic ether; indole alkaloid; organic heteropentacyclic compound	breast cancer resistance protein inhibitor; mycotoxin
2-methoxyestrone	[no description available]	low	0	0	17-oxo steroid; 3-hydroxy steroid; alicyclic ketone; aromatic ether; phenolic steroid; phenols	human metabolite; mouse metabolite
win 54954	[no description available]	low	0	0	aromatic ether
silychristin	[no description available]	low	0	0	1-benzofurans; aromatic ether; flavonolignan; polyphenol; secondary alpha-hydroxy ketone	lipoxygenase inhibitor; metabolite; prostaglandin antagonist; radical scavenger
cleomiscosin a	[no description available]	low	0	0	aromatic ether; delta-lactone; organic heterotricyclic compound; phenols; primary alcohol	anti-inflammatory agent; metabolite
bispyribac	[no description available]	low	0	0	aromatic ether; benzoic acids; monocarboxylic acid; pyrimidines	herbicide
petunidin-3-glucoside	[no description available]	low	0	0	anthocyanin cation; aromatic ether; beta-D-glucoside	antioxidant; metabolite
malvidin-3-glucoside	[no description available]	low	0	0	anthocyanin cation; aromatic ether; beta-D-glucoside	metabolite
dioncophylline c	[no description available]	low	0	0	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes; naphthols	antimalarial; antiplasmodial drug; metabolite
stigmatellin	[no description available]	low	0	0	aromatic ether; chromones; olefinic compound; phenols	bacterial metabolite; quinol oxidation site inhibitor
roflumilast	[no description available]	low	0	0	aromatic ether; benzamides; chloropyridine; cyclopropanes; organofluorine compound	anti-asthmatic drug; phosphodiesterase IV inhibitor
teniposide	[no description available]	low	0	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
prinomastat	[no description available]	low	0	0	aromatic ether; hydroxamic acid; pyridines; sulfonamide; thiomorpholines	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; matrix metalloproteinase inhibitor
posaconazole	[no description available]	low	0	0	aromatic ether; conazole antifungal drug; N-arylpiperazine; organofluorine compound; oxolanes; triazole antifungal drug; triazoles	trypanocidal drug
gancaonin I	[no description available]	low	0	0	1-benzofurans; aromatic ether; resorcinols	antibacterial agent; plant metabolite
glycyrin	[no description available]	low	0	0	aromatic ether; coumarins; hydroxyisoflavans	antibacterial agent; metabolite; plant metabolite
glyasperin D	[no description available]	low	0	0	aromatic ether; hydroxyisoflavans; methoxyisoflavan	plant metabolite
licoricidin	[no description available]	low	0	0	aromatic ether; hydroxyisoflavans; methoxyisoflavan	antibacterial agent; plant metabolite
egonol	[no description available]	low	0	0	1-benzofurans; aromatic ether; benzodioxoles; primary alcohol	plant metabolite
N-ethylharmine	[no description available]	low	0	0	aromatic ether; beta-carbolines; semisynthetic derivative	anti-HIV agent
pf 1163a	[no description available]	low	0	0	aromatic ether; lactam; macrolide antibiotic; secondary alcohol	antifungal agent; Penicillium metabolite
pf 1163b	[no description available]	low	0	0	aromatic ether; lactam; macrolide antibiotic	antifungal agent; Penicillium metabolite
licocoumarone	[no description available]	low	0	0	1-benzofurans; aromatic ether; resorcinols	antibacterial agent; apoptosis inducer; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide	[no description available]	low	0	0	aromatic ether
LSM-22807	[no description available]	low	0	0	aromatic ether
N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide	[no description available]	low	0	0	aromatic ether
piperlactam s	[no description available]	low	0	0	alkaloid; aromatic ether; gamma-lactam; organic heterotetracyclic compound; phenols	anti-inflammatory agent; antioxidant; plant metabolite
5,5-dioxo-1-(4-phenoxyphenyl)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-2-one	[no description available]	low	0	0	aromatic ether
antofine	[no description available]	low	0	0	alkaloid antibiotic; alkaloid; aromatic ether; organic heteropentacyclic compound	angiogenesis inhibitor; anti-inflammatory agent; antimicrobial agent; antineoplastic agent; antiviral agent; phytotoxin; plant metabolite
xanthohumol	[no description available]	low	0	0	aromatic ether; chalcones; polyphenol	anti-HIV-1 agent; antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.3.1.20 (diacylglycerol O-acyltransferase) inhibitor; metabolite
2-phenoxy-N-(2-pyridinyl)butanamide	[no description available]	low	0	0	aromatic ether
6-amino-4-(2-ethoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile	[no description available]	low	0	0	aromatic ether; pyranopyrazole
N-[4-[4-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]phenoxy]phenyl]-2-(1-pyrrolidinyl)acetamide	[no description available]	low	0	0	aromatic ether
2-(3,4-diethoxyphenyl)-5-(2-furanyl)-1,3,4-oxadiazole	[no description available]	low	0	0	aromatic ether
2-[[5-(phenoxymethyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetamide	[no description available]	low	0	0	aromatic ether
1-(8-methyl-2,5,11,14-tetraoxa-8-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethanol	[no description available]	low	0	0	aromatic ether
3-[2-(3-phenoxypropyl)-5-tetrazolyl]pyridine	[no description available]	low	0	0	aromatic ether
1-cyclohexyl-5-(2-phenoxyethylthio)tetrazole	[no description available]	low	0	0	aromatic ether
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]acetamide	[no description available]	low	0	0	aromatic ether
6-amino-4-[3-ethoxy-4-[2-(4-morpholinyl)ethoxy]phenyl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile	[no description available]	low	0	0	aromatic ether; pyranopyrazole
2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-thiophen-2-ylethanone	[no description available]	low	0	0	aromatic ether
(1-methyl-2-imidazolyl)-(4-phenylmethoxyphenyl)methanol	[no description available]	low	0	0	aromatic ether
5-(3-butoxyphenyl)-1,3,4-thiadiazol-2-amine	[no description available]	low	0	0	aromatic ether
3-(2-ethoxy-6-methyl-3-pyridinyl)-5-(2-pyridinyl)-1,2,4-oxadiazole	[no description available]	low	0	0	aromatic ether
6-(3,4,5-triethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole	[no description available]	low	0	0	aromatic ether; triazolothiadiazole
4-(1-benzotriazolyl)-5-(2-methoxyphenoxy)benzene-1,2-dicarbonitrile	[no description available]	low	0	0	aromatic ether
4-cyclohexyl-3-[(3-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione	[no description available]	low	0	0	aromatic ether
7-ethoxy-9-nitro-5H-benzo[b][1,4]benzoxazepin-6-one	[no description available]	low	0	0	aromatic ether
4-[4-(2-quinoxalinyl)phenoxy]benzene-1,2-dicarbonitrile	[no description available]	low	0	0	aromatic ether
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(phenoxymethyl)-4-triazolecarboxylic acid ethyl ester	[no description available]	low	0	0	aromatic ether
2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide	[no description available]	low	0	0	aromatic ether
2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide	[no description available]	low	0	0	aromatic ether
5-[(4-ethylphenoxy)methyl]-N-(2-pyridinylmethyl)-2-furancarboxamide	[no description available]	low	0	0	aromatic ether
7-methoxy-3,5-dimethyl-2-thiazolo[4,5-d]pyrimidinethione	[no description available]	low	0	0	aromatic ether
N-[4-(4-ethylphenyl)-2-thiazolyl]carbamic acid phenyl ester	[no description available]	low	0	0	aromatic ether
2-(2-bromo-4-methylphenoxy)-N-(2-pyridinylmethyl)acetamide	[no description available]	low	0	0	aromatic ether
1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-ethylpiperazine	[no description available]	low	0	0	aromatic ether
2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol	[no description available]	low	0	0	aromatic ether; C-nitro compound
4-[[4-(ethylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy]benzoic acid ethyl ester	[no description available]	low	0	0	aromatic ether
5-ethyl-3-[[4-(2-methylpropoxy)phenyl]methylthio]-1H-1,2,4-triazole	[no description available]	low	0	0	aromatic ether
[4-[(2-fluorophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione	[no description available]	low	0	0	aromatic ether
5-[(2-chlorophenoxy)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole	[no description available]	low	0	0	aromatic ether
4-(4-phenylmethoxyphenyl)thiadiazole	[no description available]	low	0	0	aromatic ether
N-methyl-2-[[4-methyl-5-[(4-nitrophenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-morpholinyl)ethanone	[no description available]	low	0	0	aromatic ether
4-(3-pyridinyloxy)benzene-1,2-dicarbonitrile	[no description available]	low	0	0	aromatic ether
N-tert-butyl-2-(4-chloro-3-methylphenoxy)acetamide	[no description available]	low	0	0	aromatic ether
1-(2-furanylmethyl)-3-(4-phenoxyphenyl)thiourea	[no description available]	low	0	0	aromatic ether
1-(2-methylpropyl)-3-(4-phenoxyphenyl)thiourea	[no description available]	low	0	0	aromatic ether
1-cyclopentyl-3-(4-phenoxyphenyl)thiourea	[no description available]	low	0	0	aromatic ether
5-[(4-ethoxyphenoxy)methyl]-N-(3-pyridinyl)-2-furancarboxamide	[no description available]	low	0	0	aromatic ether
2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide	[no description available]	low	0	0	aromatic ether
5-[(2-chlorophenoxy)methyl]-N-(2-thiazolyl)-2-furancarboxamide	[no description available]	low	0	0	aromatic ether
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide	[no description available]	low	0	0	aromatic ether
N-(4,5-dihydrothiazol-2-yl)-2-(2-methylphenoxy)acetamide	[no description available]	low	0	0	aromatic ether
5-(2-fluorophenoxy)-1-methyl-3-nitro-1,2,4-triazole	[no description available]	low	0	0	aromatic ether
1-methyl-5-(1-naphthalenyloxy)-4-nitroimidazole	[no description available]	low	0	0	aromatic ether
curcumin	[no description available]	low	0	0	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger
1-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-nitrophenyl)urea	[no description available]	low	0	0	aromatic ether; C-nitro compound
1-cyclopentyl-3-(2-phenoxyphenyl)thiourea	[no description available]	low	0	0	aromatic ether
N-(1-ethyl-2-benzimidazolyl)-5-[(4-methyl-2-nitrophenoxy)methyl]-2-furancarboxamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
2-chloro-12-(4-methoxyphenyl)sulfonylquinoxalino[2,3-b][1,4]benzoxazine	[no description available]	low	0	0	aromatic ether
1-(3-methoxy-5-nitrophenyl)-3-(4-methylphenyl)urea	[no description available]	low	0	0	aromatic ether; C-nitro compound
2-(2-bromo-4-chlorophenoxy)-N-cyclohexyl-N-methylacetamide	[no description available]	low	0	0	aromatic ether
2-furanyl-[4-(4-phenoxyphenyl)sulfonyl-1-piperazinyl]methanone	[no description available]	low	0	0	aromatic ether
4-(2-methoxyphenoxy)-N-(3-pyridinyl)benzenesulfonamide	[no description available]	low	0	0	aromatic ether
1-(3-chlorophenyl)-3-(2-phenoxyphenyl)thiourea	[no description available]	low	0	0	aromatic ether
N-[3-[2-(1-azepanyl)-4,5-dicyanophenoxy]phenyl]acetamide	[no description available]	low	0	0	aromatic ether
2,5-dimethoxy-N-(4-phenoxyphenyl)benzenesulfonamide	[no description available]	low	0	0	aromatic ether
4-[[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester	[no description available]	low	0	0	aromatic ether
1-[4-[[4-(2-chloro-6-nitrophenoxy)phenyl]methoxy]phenyl]ethanone	[no description available]	low	0	0	aromatic ether
N-[4-[[2-(4-hydroxyphenyl)-1,3-dioxo-5-isoindolyl]oxy]phenyl]-2,2-dimethylpropanamide	[no description available]	low	0	0	aromatic ether
N-[[4-(4-chlorophenoxy)anilino]-sulfanylidenemethyl]benzamide	[no description available]	low	0	0	aromatic ether
2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide	[no description available]	low	0	0	aromatic ether
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-propan-2-ylbenzenesulfonamide	[no description available]	low	0	0	aromatic ether
4-(4-tert-butylphenoxy)-5-methoxy-2-phenylpyrimidine	[no description available]	low	0	0	aromatic ether
4-phenoxy-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester	[no description available]	low	0	0	aromatic ether
N-[2,5-dioxo-6-(4-phenoxyphenyl)-3-pyrano[3,2-c]pyridinyl]benzamide	[no description available]	low	0	0	aromatic ether
2-(4-chlorophenoxy)-4-(dimethylamino)-3-pyridinecarbonitrile	[no description available]	low	0	0	aromatic ether
6-methyl-5-[2-(2-methylphenoxy)ethyl]-2-sulfanylidene-1H-pyrimidin-4-one	[no description available]	low	0	0	aromatic ether
4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanone	[no description available]	low	0	0	aromatic ether
N4-ethyl-6-[2-(4-methylphenoxy)ethylthio]-N2-propan-2-yl-1,3,5-triazine-2,4-diamine	[no description available]	low	0	0	aromatic ether
4-(phenylmethyl)-3-[2-(4-propoxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione	[no description available]	low	0	0	aromatic ether
1-[[1-oxo-3-(4-propan-2-yloxyphenyl)propyl]amino]-3-(phenylmethyl)thiourea	[no description available]	low	0	0	aromatic ether
N-[3-(3-methylphenoxy)-5-nitrophenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide	[no description available]	low	0	0	aromatic ether
N-bis(2-fluorophenoxy)phosphoryl-3,4-dimethylaniline	[no description available]	low	0	0	aromatic ether
2-[[4-(2-ethoxyanilino)-6-(4-ethoxyanilino)-2-pyrimidinyl]methylidene]propanedinitrile	[no description available]	low	0	0	aromatic ether
5-methyl-3-[(4-pentoxyphenyl)methylthio]-1H-1,2,4-triazole	[no description available]	low	0	0	aromatic ether
4,5-dichloro-1-[2-(4-chlorophenoxy)ethyl]imidazole	[no description available]	low	0	0	aromatic ether
1-butyl-3-(4-phenoxyphenyl)thiourea	[no description available]	low	0	0	aromatic ether
N-(3-cyano-2-thiophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide	[no description available]	low	0	0	aromatic ether
2-(2-bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole	[no description available]	low	0	0	aromatic ether
5-(4-ethoxyphenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine	[no description available]	low	0	0	aromatic ether
4-(4-chloro-2-methylphenoxy)-1-(4-morpholinyl)-1-butanone	[no description available]	low	0	0	aromatic ether
N9-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine	[no description available]	low	0	0	aromatic ether
2-[2-(4-chlorophenoxy)ethylthio]pyrimidine	[no description available]	low	0	0	aromatic ether
5-(3-phenoxypropyl)-3-(3-pyridinyl)-1,2,4-oxadiazole	[no description available]	low	0	0	aromatic ether
N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-2-thiazolamine	[no description available]	low	0	0	aromatic ether
2-(2-bromophenoxy)-N-(2-pyridinylmethyl)acetamide	[no description available]	low	0	0	aromatic ether
4-[2-[(4-chlorophenyl)thio]ethoxy]-3-ethoxybenzaldehyde	[no description available]	low	0	0	aromatic ether
1-(3-fluorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester	[no description available]	low	0	0	aromatic ether; C-nitro compound
5-(2-ethoxyphenyl)-3H-1,3,4-oxadiazole-2-thione	[no description available]	low	0	0	aromatic ether
N-tert-butyl-4-(2-fluorophenoxy)-1-butanamine	[no description available]	low	0	0	aromatic ether
N-butyl-4-phenoxy-1-butanamine	[no description available]	low	0	0	aromatic ether
N-[3-[[diethylamino(sulfanylidene)methyl]thio]-1-oxopropyl]carbamic acid (4-methylphenyl) ester	[no description available]	low	0	0	aromatic ether
1,3-dimethyl-5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione	[no description available]	low	0	0	aromatic ether; C-nitro compound
4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine	[no description available]	low	0	0	aromatic ether
2-[2-(3-ethylphenoxy)ethyl]propanedioic acid diethyl ester	[no description available]	low	0	0	aromatic ether
2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] ester	[no description available]	low	0	0	aromatic ether
1-[3-(2-bromo-4-chlorophenoxy)propyl]-4-methylpiperidine	[no description available]	low	0	0	aromatic ether
N4-(2-methoxyphenyl)benzene-1,4-diamine	[no description available]	low	0	0	aromatic ether; substituted aniline
4-(1H-benzimidazol-2-ylthio)butanoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester	[no description available]	low	0	0	aromatic ether
2-phenoxybenzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester	[no description available]	low	0	0	aromatic ether
1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone	[no description available]	low	0	0	aromatic ether
N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-2-(2-methylphenoxy)-N-(2-methylpropyl)acetamide	[no description available]	low	0	0	aromatic ether
4-[[6-[(2-methyl-5-thieno[2,3-e][1,3]benzothiazolyl)oxy]-3-pyridinyl]sulfonyl]morpholine	[no description available]	low	0	0	aromatic ether
5-(3-fluorophenoxy)-8-nitroisoquinoline	[no description available]	low	0	0	aromatic ether
1-[4-(2-prop-2-enylphenoxy)butyl]pyrrolidine	[no description available]	low	0	0	aromatic ether
2-(2,4-dibromophenoxy)-N-[oxo-(propan-2-ylamino)methyl]acetamide	[no description available]	low	0	0	aromatic ether
4-phenoxyphenyl 4-hydroxypiperidine-1-carboxylate	[no description available]	low	0	0	aromatic ether
N'-benzoyl-5-(3,5-dichlorophenoxy)-2-furancarbohydrazide	[no description available]	low	0	0	aromatic ether
1-[2-[(4-chlorophenoxy)methyl]-4-thiazolyl]ethanone	[no description available]	low	0	0	aromatic ether
5-(benzyloxy)-2-(hydroxymethyl)-1,4-dihydropyridin-4-one	[no description available]	low	0	0	aromatic ether
2-(4-aminophenoxy)isophthalonitrile	[no description available]	low	0	0	aromatic ether
N5-(2-chloro-6-phenoxybenzyl)-1H-1,2,4-triazole-3,5-diamine	[no description available]	low	0	0	aromatic ether
N-[(2-chloro-6-phenoxyphenyl)methyl]benzenesulfonamide	[no description available]	low	0	0	aromatic ether
N-[5-(tert-butyl)-3-isoxazolyl]-N'-[2-(trifluoromethoxy)phenyl]urea	[no description available]	low	0	0	aromatic ether
6-(4-methoxyphenoxy)-2-imidazo[1,2-b]pyridazinecarboxylic acid ethyl ester	[no description available]	low	0	0	aromatic ether
2-fluoro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]acetamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
2-amino-4-(4,5-dimethoxy-2-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile	[no description available]	low	0	0	aromatic ether; C-nitro compound
2,4-dichloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
1-anilino-3-[4-(3-anilino-2-hydroxypropoxy)phenoxy]-2-propanol	[no description available]	low	0	0	aromatic ether
1-[4-(3-ethoxyphenoxy)butyl]imidazole	[no description available]	low	0	0	aromatic ether
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-oxolanecarboxamide	[no description available]	low	0	0	aromatic ether
1-[[2-(2,4-difluorophenoxy)-1-oxopropyl]amino]-3-(2-oxolanylmethyl)thiourea	[no description available]	low	0	0	aromatic ether
N-[[(5-bromo-6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-2-(2-chlorophenoxy)acetamide	[no description available]	low	0	0	aromatic ether
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
4-oxido-3-(4-phenoxyphenyl)-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide	[no description available]	low	0	0	aromatic ether
1-(2-fluorophenyl)-3-(4-methoxy-2-nitrophenyl)urea	[no description available]	low	0	0	aromatic ether; C-nitro compound
2-[[5-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide	[no description available]	low	0	0	aromatic ether
cyclopropanecarboxylic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester	[no description available]	low	0	0	aromatic ether
dieckol	[no description available]	low	0	0	aromatic ether; oxacycle; phlorotannin	anticoagulant; EC 3.2.1.20 (alpha-glucosidase) inhibitor; hepatoprotective agent; metabolite; radical scavenger
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholine	[no description available]	low	0	0	aromatic ether
naproxol	[no description available]	low	0	0	aromatic ether	antipyretic; non-narcotic analgesic; non-steroidal anti-inflammatory drug
tamoxifen n-oxide	[no description available]	low	0	0	aromatic ether; tertiary amine oxide	anti-estrogen; metabolite
diafenthiuron	[no description available]	low	0	0	aromatic ether; thiourea acaricide; thiourea insecticide	oxidative phosphorylation inhibitor; proinsecticide
ospemifene	[no description available]	low	0	0	aromatic ether; organochlorine compound; primary alcohol	anti-inflammatory agent; antineoplastic agent; estrogen receptor modulator
tandutinib	[no description available]	low	0	0	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; piperidines; quinazolines; tertiary amino compound	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
adefovir	[no description available]	low	0	0	aromatic ether; aromatic ketone; biaryl; cyclic ketone; naphtho-gamma-pyrone; organooxygen heterocyclic antibiotic; polyphenol	antimalarial; Aspergillus metabolite; marine metabolite
3-chloro-N-[2,2,2-trichloro-1-[[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]amino]ethyl]benzamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
N-(2-hydroxyethyl)-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide	[no description available]	low	0	0	aromatic ether
N'-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-2-(4-methylphenoxy)acetohydrazide	[no description available]	low	0	0	aromatic ether
N-[(2-methyl-4-thiazolyl)methyl]-4-phenoxybenzenesulfonamide	[no description available]	low	0	0	aromatic ether
6-amino-4-(2-ethoxy-4-hydroxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile	[no description available]	low	0	0	aromatic ether; pyranopyrazole
1-[(2-ethoxyphenyl)methyl]-3-thiophen-2-ylurea	[no description available]	low	0	0	aromatic ether
quinoxyfen	[no description available]	low	0	0	aromatic ether; monofluorobenzenes; organochlorine compound; quinolines	antifungal agrochemical
nafadotride	[no description available]	low	0	0	aromatic ether; naphthalenecarboxamide; nitrile; pyrrolidines; tertiary amino compound	dopaminergic antagonist
1-(1-naphthalenyl)-3-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]urea	[no description available]	low	0	0	aromatic ether; C-nitro compound
2-methyl-1,3-bis(phenylmethoxy)benzene	[no description available]	low	0	0	aromatic ether
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenoxysulfonyl)urea	[no description available]	low	0	0	aromatic ether
3-[(4-ethylphenoxy)methyl]-4-(6-methylheptan-2-yl)-1H-1,2,4-triazole-5-thione	[no description available]	low	0	0	aromatic ether
2-chloro-N-(2-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide	[no description available]	low	0	0	aromatic ether
5-(benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine	[no description available]	low	0	0	aromatic ether
4-(2-methylphenoxy)-6-phenylfuro[2,3-d]pyrimidine	[no description available]	low	0	0	aromatic ether
N-(2-chlorophenyl)-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]hydrazo]-4-oxobutanamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
N-(2-methoxy-4-nitrophenyl)-2-[(1-methyl-2-imidazolyl)thio]acetamide	[no description available]	low	0	0	aromatic ether; C-nitro compound
N-[4-(phenoxymethyl)-2-thiazolyl]-1-adamantanecarboxamide	[no description available]	low	0	0	aromatic ether
hydroxypioglitazone	[no description available]	low	0	0	aromatic ether; pyridines; thiazolidinediones	human xenobiotic metabolite
sc-19220	[no description available]	low	0	0	aromatic ether
5-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylic acid ethyl ester	[no description available]	low	0	0	aromatic ether
8-[4-(4-fluorophenoxy)-3-nitrophenyl]-7-(2-hydroxyethyl)-3-(phenylmethyl)purine-2,6-dione	[no description available]	low	0	0	aromatic ether
2-phenoxybenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester	[no description available]	low	0	0	aromatic ether
2-(4-bromophenoxy)-N'-[2-[(4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]acetohydrazide	[no description available]	low	0	0	aromatic ether
2-(2-methoxyanilino)-2-(2-phenylmethoxyphenyl)acetonitrile	[no description available]	low	0	0	aromatic ether; substituted aniline
N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide	[no description available]	low	0	0	aromatic ether
5-(3,4-dimethoxyphenyl)-3-(2-furanylmethyl)-4-imino-5H-[1]benzopyrano[2,3-d]pyrimidin-8-ol	[no description available]	low	0	0	aromatic ether
3,3-dimethyl-1,5-dinitro-6-phenoxy-3-azoniabicyclo[3.3.1]non-6-ene	[no description available]	low	0	0	aromatic ether
fraxin	[no description available]	low	0	0	aromatic ether; beta-D-glucoside; hydroxycoumarin	anti-inflammatory agent; hepatoprotective agent; plant metabolite
fraxetin	[no description available]	low	0	0	aromatic ether; hydroxycoumarin	anti-inflammatory agent; antibacterial agent; antimicrobial agent; antioxidant; apoptosis inducer; apoptosis inhibitor; Arabidopsis thaliana metabolite; hepatoprotective agent; hypoglycemic agent
5,6-dehydrokawain	[no description available]	low	0	0	2-pyranones; aromatic ether
coniferin	[no description available]	low	0	0	aromatic ether; cinnamyl alcohol beta-D-glucoside; monosaccharide derivative	plant metabolite
daphnoretin	[no description available]	low	0	0	aromatic ether; hydroxycoumarin	antineoplastic agent; antiviral agent; metabolite
kavain	[no description available]	low	0	0	2-pyranones; aromatic ether
methysticin	[no description available]	low	0	0	2-pyranones; aromatic ether
yangonin	[no description available]	low	0	0	2-pyranones; aromatic ether
hinokiflavone	[no description available]	low	0	0	aromatic ether; biflavonoid; hydroxyflavone	antineoplastic agent; metabolite; neuroprotective agent
gentiacaulein	[no description available]	low	0	0	aromatic ether; polyphenol; xanthones	plant metabolite
gentisin	[no description available]	low	0	0	aromatic ether; polyphenol; xanthones	plant metabolite
isogentisin	[no description available]	low	0	0	aromatic ether; polyphenol; xanthones	EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
mangostin	[no description available]	low	0	0	aromatic ether; phenols; xanthones	antimicrobial agent; antineoplastic agent; antioxidant; plant metabolite
1,8-dihydroxy-3,7-dimethoxyxanthone	[no description available]	low	0	0	aromatic ether; polyphenol; xanthones	plant metabolite
swerchirin	[no description available]	low	0	0	aromatic ether; phenols; xanthones	hypoglycemic agent; metabolite
1,2,8-trihydroxy-6-methoxyxanthone	[no description available]	low	0	0	aromatic ether; polyphenol; xanthones	antioxidant; plant metabolite
wedelolactone	[no description available]	low	0	0	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; apoptosis inducer; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; hepatoprotective agent; metabolite
cyhalothrin	[no description available]	low	0	0	aromatic ether; cyclopropanecarboxylate ester; nitrile; organochlorine compound; organofluorine compound	agrochemical; pyrethroid ester acaricide; pyrethroid ester insecticide
sofalcone	[no description available]	low	0	0	aromatic ether; chalcones; monocarboxylic acid	anti-ulcer drug; antibacterial agent; gastrointestinal drug; plant metabolite
pibutidine	[no description available]	low	0	0	aromatic ether; cyclobutenones; olefinic compound; piperidines; primary amino compound; pyridines; secondary amino compound	anti-ulcer drug; H2-receptor antagonist
purmorphamine	[no description available]	low	0	0	aromatic ether; morpholines; purines; secondary amino compound	osteogenesis regulator; SMO receptor agonist
8-(2-chlorophenyl)-3-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile	[no description available]	low	0	0	aromatic ether
ro 41-5253	[no description available]	low	0	0	aromatic ether; benzoic acids; sulfone; thiochromane	apoptosis inducer; retinoic acid receptor alpha antagonist
glycycoumarin	[no description available]	low	0	0	aromatic ether; coumarins; resorcinols	antispasmodic drug; plant metabolite
isoginkgetin	[no description available]	low	0	0	aromatic ether; biflavonoid	antineoplastic agent; EC 3.4.24.35 (gelatinase B) inhibitor; plant metabolite
neoglycyrol	[no description available]	low	0	0	aromatic ether; coumestans; delta-lactone; polyphenol	antineoplastic agent; plant metabolite
rhamnazin	[no description available]	low	0	0	aromatic ether; dimethoxyflavone; phenols; trihydroxyflavone	antineoplastic agent; plant metabolite
bosutinib	[no description available]	low	0	0	aminoquinoline; aromatic ether; dichlorobenzene; N-methylpiperazine; nitrile; tertiary amino compound	antineoplastic agent; tyrosine kinase inhibitor
bw b70c	[no description available]	low	0	0	aromatic ether; hydroxamic acid; organofluorine compound; ureas	EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor
lichexanthone	[no description available]	low	0	0	aromatic ether; phenols; xanthones	plant metabolite
alternariol monomethyl ether	[no description available]	low	0	0	aromatic ether; benzochromenone	antifungal agent; fungal metabolite; mycotoxin
decussatin	[no description available]	low	0	0	aromatic ether; phenols; xanthones	plant metabolite
bedaquiline	[no description available]	low	0	0	aromatic ether; naphthalenes; organobromine compound; quinolines; tertiary alcohol; tertiary amino compound	antitubercular agent; ATP synthase inhibitor
benanomicin b	[no description available]	low	0	0	aromatic ether; disaccharide derivative; L-alanine derivative; polyketide; polyphenol; pradimicin; secondary alcohol
pradimicin b	[no description available]	low	0	0	aromatic ether; L-alanine derivative; monosaccharide derivative; polyketide; polyphenol; pradimicin; secondary alcohol
1,7-dihydroxy-4-methoxyxanthone	[no description available]	low	0	0	aromatic ether; phenols; xanthones	metabolite; plant metabolite
pradimicin a	[no description available]	low	0	0	aromatic ether; carboxylic acid; disaccharide derivative; L-alanine derivative; p-quinones; polyphenol; pradimicin; secondary alcohol
clodinafop	[no description available]	low	0	0	aromatic ether; monocarboxylic acid; organochlorine compound; organofluorine compound; pyridines	EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor; phenoxy herbicide
ici 118551	[no description available]	low	0	0	aromatic ether; indanes; secondary alcohol; secondary amino compound	beta-adrenergic antagonist
ochnaflavone	[no description available]	low	0	0	aromatic ether; biflavonoid; hydroxyflavone	anti-inflammatory agent; antiatherogenic agent; antibacterial agent; EC 3.1.1.4 (phospholipase A2) inhibitor; leukotriene antagonist; plant metabolite
3-(4-fluorophenoxy)-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene 1-oxide	[no description available]	low	0	0	aromatic ether
flavasperone	[no description available]	low	0	0	aromatic ether; naphtho-gamma-pyrone; phenols	acyl-CoA:cholesterol acyltransferase 2 inhibitor; antiviral agent; Aspergillus metabolite; marine metabolite
4-hydroxycordoin	[no description available]	low	0	0	aromatic ether; chalcones; polyphenol	anti-inflammatory agent; antibacterial agent; plant metabolite
n-feruloylserotonin	[no description available]	low	0	0	aromatic ether; cinnamamides; hydroxyindoles; phenols; secondary carboxamide	plant metabolite
tyrphostin ag825	[no description available]	low	0	0	aromatic ether; benzothiazoles; enamide; nitrile; organic sulfide; phenols; primary carboxamide	epidermal growth factor receptor antagonist
kresoxim-methyl	[no description available]	low	0	0	aromatic ether; methoxyiminoacetate strobilurin antifungal agent; methyl ester; oxime O-ether	antifungal agrochemical; environmental contaminant; mitochondrial cytochrome-bc1 complex inhibitor; xenobiotic
5-methoxy-3,6-diphenyl-1,2,4-triazine	[no description available]	low	0	0	aromatic ether
piericidin a	[no description available]	low	0	0	aromatic ether; methylpyridines; monohydroxypyridine; secondary allylic alcohol	antimicrobial agent; bacterial metabolite; EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor; mitochondrial respiratory-chain inhibitor
metrafenone	[no description available]	low	0	0	aromatic ether; aryl phenyl ketone fungicide; benzophenones; organobromine compound	antifungal agrochemical
2-(4-fluoro-3-(trifluoromethyl)phenoxy)-n-(phenylmethyl)butanamide	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; monocarboxylic acid amide; monofluorobenzenes
5-(4-phenylbutoxy)psoralen	[no description available]	low	0	0	aromatic ether; benzenes; psoralens	geroprotector; immunosuppressive agent; potassium channel blocker
5-ia-85380	[no description available]	low	0	0	aromatic ether
yunaconitine	[no description available]	low	0	0	acetate ester; aromatic ether; benzoate ester; bridged compound; diterpene alkaloid; organic heteropolycyclic compound; polyether; secondary alcohol; tertiary alcohol; tertiary amino compound	antifeedant; human urinary metabolite; phytotoxin; plant metabolite; xenobiotic
ru 58668	[no description available]	low	0	0	17beta-hydroxy steroid; 3-hydroxy steroid; aromatic ether; organofluorine compound; sulfone	anti-estrogen; antineoplastic agent; estrogen receptor antagonist
altenusin	[no description available]	low	0	0	aromatic ether; carboxybiphenyl; catechols; hydroxybiphenyls; polyphenol	antifungal agent; fungal metabolite
bay 58-2667	[no description available]	low	0	0	aromatic ether; benzoic acids; dicarboxylic acid; tertiary amino compound	antihypertensive agent; soluble guanylate cyclase activator; vasodilator agent
camostat	[no description available]	low	0	0	aromatic ether; phenols
nsc 716970	[no description available]	low	0	0	aromatic amine; aromatic ether; indolecarboxamide; organochlorine compound	antineoplastic agent
lobeglitazone	[no description available]	low	0	0	aromatic ether
noviflumuron	[no description available]	low	0	0	aromatic ether; benzoylurea insecticide; dichlorobenzene; organofluorine compound
etomoxir	[no description available]	low	0	0	aromatic ether
fr 148083	[no description available]	low	0	0	aromatic ether; macrolide; phenols; secondary alcohol; secondary alpha-hydroxy ketone	antibacterial agent; antineoplastic agent; metabolite; NF-kappaB inhibitor
9-methoxycanthin-6-one	[no description available]	low	0	0	aromatic ether; indole alkaloid; organic heterotetracyclic compound	antineoplastic agent; antiplasmodial drug; metabolite
sb 3ct compound	[no description available]	low	0	0	aromatic ether
varespladib methyl	[no description available]	low	0	0	aromatic ether; benzenes; indoles; methyl ester; primary carboxamide	anti-inflammatory drug; antidote; EC 3.1.1.4 (phospholipase A2) inhibitor; prodrug
naveglitazar	[no description available]	low	0	0	aromatic ether
zm 447439	[no description available]	low	0	0	aromatic ether; benzamides; morpholines; polyether; quinazolines; secondary amino compound; tertiary amino compound	antineoplastic agent; apoptosis inducer; Aurora kinase inhibitor
ustiloxin b	[no description available]	low	0	0	aromatic ether; heterodetic cyclic peptide; macrocycle; phenols; secondary alcohol; secondary carboxamide; sulfoxide	Aspergillus metabolite; microtubule-destabilising agent; mycotoxin
hypothemycin	[no description available]	low	0	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
tryprostatin a	[no description available]	low	0	0	aromatic ether; dipeptide; indole alkaloid; indoles; pyrrolopyrazine	breast cancer resistance protein inhibitor
cediranib	[no description available]	low	0	0	aromatic ether
3-iodothyronamine	[no description available]	low	0	0	aromatic ether
n,n-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochloride	[no description available]	low	0	0	aromatic ether; hydrochloride; methoxybenzenes; tertiary amino compound	antipsychotic agent; receptor modulator
rubraxanthone	[no description available]	low	0	0	aromatic ether; polyphenol; xanthones	antibacterial agent; antineoplastic agent; metabolite
7,8-Dihydroyangonin	[no description available]	low	0	0	2-pyranones; aromatic ether
sch 51344	[no description available]	low	0	0	aromatic amine; aromatic ether; primary alcohol; pyrazoloquinoline; secondary amino compound	antineoplastic agent
ancistroealaine a	[no description available]	low	0	0	aromatic ether; biaryl; isoquinoline alkaloid; isoquinolines; methoxynaphthalene; methylnaphthalenes	antileishmanial agent; antiplasmodial drug; metabolite; trypanocidal drug
pimavanserin	[no description available]	low	0	0	aromatic ether; monofluorobenzenes; piperidines; tertiary amino compound; ureas	5-hydroxytryptamine 2A receptor inverse agonist; antipsychotic agent; serotonergic antagonist
tolfenpyrad	[no description available]	low	0	0	aromatic amide; aromatic ether; organochlorine compound; pyrazole insecticide	agrochemical; antifungal agent; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor; mitochondrial NADH:ubiquinone reductase inhibitor
SIS3 free base	[no description available]	low	0	0	aromatic ether; enamide; isoquinolines; monocarboxylic acid amide; pyrrolopyridine; tertiary carboxamide	Smad3 inhibitor
apixaban	[no description available]	low	0	0	aromatic ether; lactam; piperidones; pyrazolopyridine	anticoagulant; EC 3.4.21.6 (coagulation factor Xa) inhibitor
dihydrokavain	[no description available]	low	0	0	2-pyranones; aromatic ether
troglitazone sulfate	[no description available]	low	0	0	aromatic ether; thiazolidinone
arisugacin	[no description available]	low	0	0	aromatic ether; delta-lactone; enone; organic heterotetracyclic compound; tertiary alcohol	antimicrobial agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; metabolite; Penicillium metabolite
saracatinib	[no description available]	low	0	0	aromatic ether; benzodioxoles; diether; N-methylpiperazine; organochlorine compound; oxanes; quinazolines; secondary amino compound	anticoronaviral agent; antineoplastic agent; apoptosis inducer; autophagy inducer; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; radiosensitizing agent
fonsecinone a	[no description available]	low	0	0	aromatic ether; aromatic ketone; biaryl; cyclic ketone; naphtho-gamma-pyrone; polyphenol	antibacterial agent; Aspergillus metabolite
aiphanol	[no description available]	low	0	0	aromatic ether; benzodioxine; lignan; stilbenoid	EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor
nigerloxin	[no description available]	low	0	0	aromatic ether; benzamides; benzoic acids; phenols; styrenes	antioxidant; Aspergillus metabolite; EC 1.1.1.21 (aldehyde reductase) inhibitor; lipoxygenase inhibitor; radical scavenger
msdc-0160	[no description available]	low	0	0	aromatic ether
dihydroxanthohumol	[no description available]	low	0	0	aromatic ether; dihydrochalcones; polyphenol	EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite
7-phloroeckol	[no description available]	low	0	0	aromatic ether; phlorotannin	antioxidant; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; metabolite
3,5-dimethoxy-4-hydroxybenzyl alcohol-4-O-beta-D-glucopyranoside	[no description available]	low	0	0	aromatic ether; benzyl alcohols; beta-D-glucoside; monosaccharide derivative; primary alcohol	antineoplastic agent; metabolite
PDGF receptor tyrosine kinase inhibitor III	[no description available]	low	0	0	aromatic ether; N-arylpiperazine; N-carbamoylpiperazine; phenylureas; quinazolines; tertiary amino compound	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
flumorph	[no description available]	low	0	0	aromatic ether; enamide; morpholines; organofluorine compound; tertiary carboxamide
brivanib	[no description available]	low	0	0	aromatic ether; diether; fluoroindole; pyrrolotriazine; secondary alcohol	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; drug metabolite; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor; fibroblast growth factor receptor antagonist
fg-4592	[no description available]	low	0	0	aromatic ether; isoquinolines; N-acylglycine	EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; EC 1.14.11.29 (hypoxia-inducible factor-proline dioxygenase) inhibitor
picoxystrobin	[no description available]	low	0	0	aromatic ether; enoate ester; enol ether; methoxyacrylate strobilurin antifungal agent; organofluorine compound; pyridines	antifungal agrochemical; mitochondrial cytochrome-bc1 complex inhibitor
glyceryl ferulate	[no description available]	low	0	0	1-monoglyceride; aromatic ether; enoate ester; phenols	antioxidant; plant metabolite; ultraviolet filter
ki 8751	[no description available]	low	0	0	aromatic ether
ceratamine a	[no description available]	low	0	0	alkaloid; aromatic ether; cyclic ketone; organic heterobicyclic compound; organobromine compound; secondary amino compound; tertiary amine	antimitotic; metabolite
bay94 9172	[no description available]	low	0	0	(18)F radiopharmaceutical; aromatic ether; polyether; secondary amino compound; stilbenoid; substituted aniline	radioactive imaging agent
olodaterol	[no description available]	low	0	0	aromatic ether; benzoxazine; phenols; secondary alcohol; secondary amino compound	beta-adrenergic agonist; bronchodilator agent
dorsomorphin	[no description available]	low	0	0	aromatic ether; piperidines; pyrazolopyrimidine; pyridines	bone morphogenetic protein receptor antagonist; EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor
cj-042794	[no description available]	low	0	0	aromatic ether
hu 308	[no description available]	low	0	0	aromatic ether; bridged compound; carbobicyclic compound; primary allylic alcohol; synthetic cannabinoid	anti-inflammatory agent; antihypertensive agent; apoptosis inhibitor; bone density conservation agent; CB2 receptor agonist
ki11502	[no description available]	low	0	0	aromatic ether; benzamides; quinolines; thioureas	antineoplastic agent; apoptosis inducer; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
apremilast	[no description available]	low	0	0	aromatic ether; N-acetylarylamine; phthalimides; sulfone	non-steroidal anti-inflammatory drug; phosphodiesterase IV inhibitor
PF-00835231	[no description available]	low	0	0	aromatic ether; indolecarboxamide; L-leucine derivative; primary alcohol; pyrrolidin-2-ones; secondary carboxamide	anticoronaviral agent; drug metabolite; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine	[no description available]	low	0	0	aminopyridine; aromatic ether; dichlorobenzene; organofluorine compound; pyrazolylpiperidine; racemate	antineoplastic agent; biomarker; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
chir-265	[no description available]	low	0	0	aromatic ether
aminocandin	[no description available]	low	0	0	aromatic ether; echinocandin; homodetic cyclic peptide	antiinfective agent
zk 756326	[no description available]	low	0	0	aromatic ether
bay 60-6583	[no description available]	low	0	0	aminopyridine; aromatic ether; aryl sulfide; cyanopyridine; cyclopropanes; monocarboxylic acid amide	adenosine A2B receptor agonist; anti-inflammatory agent; cardioprotective agent
4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-[(4-methylphenyl)methyl]butanamide	[no description available]	low	0	0	aromatic ether
n-desmethylrosiglitazone	[no description available]	low	0	0	aromatic ether
4-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide	[no description available]	low	0	0	aromatic ether
verruculogen	[no description available]	low	0	0	aromatic ether; diol; indole alkaloid; organic heterohexacyclic compound; organic peroxide	Aspergillus metabolite; GABA modulator; mycotoxin; Penicillium metabolite; potassium channel blocker
1-O-feruloyl-beta-D-glucose	[no description available]	low	0	0	aromatic ether; beta-D-glucoside; cinnamate ester; phenols	antioxidant; plant metabolite
2,2',4,5'-tetrabromodiphenyl ether	[no description available]	low	0	0	aromatic ether; organobromine compound
hexabromodiphenyl ether 154	[no description available]	low	0	0	aromatic ether; organobromine compound
bde 183	[no description available]	low	0	0	aromatic ether; organobromine compound
l-798106	[no description available]	low	0	0	aromatic ether; bromobenzenes; N-sulfonylcarboxamide	prostaglandin receptor antagonist
aflatoxin m1	[no description available]	low	0	0	aflatoxin; aromatic ether; aromatic ketone; tertiary alcohol	Aspergillus metabolite; human xenobiotic metabolite; mammalian metabolite
macitentan	[no description available]	low	0	0	aromatic ether; organobromine compound; pyrimidines; ring assembly; sulfamides	antihypertensive agent; endothelin receptor antagonist; orphan drug
e 7050	[no description available]	low	0	0	aromatic ether
N-[(5-chloro-2-thiophenyl)methyl]-5-[(2,6-difluorophenoxy)methyl]-3-isoxazolecarboxamide	[no description available]	low	0	0	aromatic ether
dafadine C	[no description available]	low	0	0	aromatic amide; aromatic ether; difluorobenzene; isoxazoles; N-acylpiperidine; pyridines	P450 inhibitor
3-[5-(5-methyl-2-thiophenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(3-pyridinyloxy)propyl]propanamide	[no description available]	low	0	0	aromatic ether
violaceol II	[no description available]	low	0	0	aromatic ether; catechols; resorcinols	mycotoxin
pamapimod	[no description available]	low	0	0	aromatic amine; aromatic ether; difluorobenzene; diol; primary alcohol; pyridopyrimidine; secondary amino compound	antirheumatic drug; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
gsk690693	[no description available]	low	0	0	1,2,5-oxadiazole; acetylenic compound; aromatic amine; aromatic ether; imidazopyridine; piperidines; primary amino compound; tertiary alcohol	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
cnf 2024	[no description available]	low	0	0	2-aminopurines; aromatic ether; organochlorine compound; pyridines	antineoplastic agent; Hsp90 inhibitor
uk 453,061	[no description available]	low	0	0	aromatic ether
8-{1-[4-(dimethylamino)phenyl]-3-(pyrrolidin-1-yl)propyl}-5,7-dimethoxy-4-pentyl-2H-chromen-2-one	[no description available]	low	0	0	aromatic ether; coumarins; pyrrolidines; tertiary amino compound
zm323881	[no description available]	low	0	0	aromatic ether; benzyl ether; fluorophenol; halophenol; monofluorobenzenes; organic cation; quinazolines; secondary amino compound; substituted aniline	vascular endothelial growth factor receptor antagonist
compound w	[no description available]	low	0	0	aromatic ether
2-[[4-[2-[(2-methylpropan-2-yl)oxy]anilino]-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	[no description available]	low	0	0	aromatic ether
interiotherin b	[no description available]	low	0	0	aromatic ether; fatty acid ester; lignan; organic heteropentacyclic compound; oxacycle	anti-HIV agent; metabolite
5,7-dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-6-methoxychroman-4-one	[no description available]	low	0	0	aromatic ether; homoisoflavonoid; polyphenol	angiogenesis modulating agent; plant metabolite
diorcinol	[no description available]	low	0	0	aromatic ether; phenols	fungal metabolite; marine metabolite; metabolite
2-[[4-(2-phenoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	[no description available]	low	0	0	aromatic ether
2-[[4-(1-pyrrolidinyl)-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol	[no description available]	low	0	0	aromatic ether
2-[[4-(5-chloro-2-ethoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	[no description available]	low	0	0	aromatic ether
2-[[4-(5-chloro-2-propan-2-yloxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol	[no description available]	low	0	0	aromatic ether
mk 5108	[no description available]	low	0	0	aromatic ether
lde225	[no description available]	low	0	0	aminopyridine; aromatic ether; benzamides; biphenyls; morpholines; organofluorine compound; tertiary amino compound	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist
1-azepanyl-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-isoxazolyl]methanone	[no description available]	low	0	0	aromatic ether
4-(1-((5-((2,6-dimethylphenoxy)methyl)-3-isoxazolyl)carbonyl)-4-piperidinyl)pyridine	[no description available]	low	0	0	aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; pyridines	geroprotector; P450 inhibitor
dafadine D	[no description available]	low	0	0	aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; organofluorine compound; pyridines	P450 inhibitor
1-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-[4-(2-fluorophenoxy)phenyl]-4-piperidinecarboxamide	[no description available]	low	0	0	aromatic ether
dafadine O	[no description available]	low	0	0	aromatic amide; aromatic ether; isoxazoles; N-acylpiperidine; pyridines; ring assembly	P450 inhibitor
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(4-oxanylmethyl)-3-isoxazolecarboxamide	[no description available]	low	0	0	aromatic ether
pci 32765	[no description available]	low	0	0	acrylamides; aromatic amine; aromatic ether; N-acylpiperidine; pyrazolopyrimidine; tertiary carboxamide	antineoplastic agent; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
florbetapir f 18	[no description available]	low	0	0	(18)F radiopharmaceutical; aromatic ether; organofluorine compound; pyridines; substituted aniline	radioactive imaging agent
AMG-208	[no description available]	low	0	0	aromatic ether; quinolines; triazolopyridazine	antineoplastic agent; c-Met tyrosine kinase inhibitor
6-methoxyspirotryprostatin b	[no description available]	low	0	0	aromatic ether; azaspiro compound; indole alkaloid; indolones	antineoplastic agent; Aspergillus metabolite
lucitanib	[no description available]	low	0	0	aromatic ether; cyclopropanes; naphthalenecarboxamide; primary amino compound; quinolines	antineoplastic agent; fibroblast growth factor receptor antagonist; vascular endothelial growth factor receptor antagonist
act-132577	[no description available]	low	0	0	aromatic ether; organobromine compound; pyrimidines; sulfamides	antihypertensive agent; drug metabolite; endothelin receptor antagonist; xenobiotic metabolite
poziotinib	[no description available]	low	0	0	acrylamides; aromatic ether; dichlorobenzene; diether; monofluorobenzenes; N-acylpiperidine; quinazolines; secondary amino compound; substituted aniline	antineoplastic agent; apoptosis inducer; epidermal growth factor receptor antagonist
gsk 2126458	[no description available]	low	0	0	aromatic ether; difluorobenzene; pyridazines; pyridines; quinolines; sulfonamide	anticoronaviral agent; antineoplastic agent; autophagy inducer; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor; radiosensitizing agent
gsk 1363089	[no description available]	low	0	0	aromatic ether
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea	[no description available]	low	0	0	aromatic ether
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea	[no description available]	low	0	0	aromatic ether
3-cyclohexyl-1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea	[no description available]	low	0	0	aromatic ether
3-cyclohexyl-1-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-(propan-2-ylamino)methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea	[no description available]	low	0	0	aromatic ether
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide	[no description available]	low	0	0	aromatic ether
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea	[no description available]	low	0	0	aromatic ether
monepantel	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; aryl sulfide; nitrile; secondary carboxamide	anthelminthic drug; nematicide
an2728	[no description available]	low	0	0	aromatic ether; benzoxaborole; nitrile	antipsoriatic; non-steroidal anti-inflammatory drug; phosphodiesterase IV inhibitor
grazoprevir	[no description available]	low	0	0	aromatic ether; azamacrocycle; carbamate ester; cyclopropanes; lactam; N-sulfonylcarboxamide; quinoxaline derivative	antiviral drug; hepatitis C protease inhibitor; hepatoprotective agent
hordatine a	[no description available]	low	0	0	aromatic ether; benzofurans; dicarboxylic acid diamide; guanidines; phenols	adrenergic antagonist; metabolite
5-chloro-2-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)-3-pyridazinone	[no description available]	low	0	0	aromatic ether
tak-632	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; benzothiazoles; cyclopropylcarboxamide; monofluorobenzenes; nitrile; secondary carboxamide	antineoplastic agent; apoptosis inducer; B-Raf inhibitor; EC 2.7.11.26 (tau-protein kinase) inhibitor; necroptosis inhibitor
lrrk2-in1	[no description available]	low	0	0	aromatic amine; aromatic ether; N-acylpiperidine; N-alkylpiperazine; pyrimidobenzodiazepine; secondary amino compound; tertiary amino compound	antineoplastic agent; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
quinolobactin	[no description available]	low	0	0	aromatic ether; monohydroxyquinoline; phenols; quinolinemonocarboxylic acid	bacterial metabolite; siderophore
AZD1979	[no description available]	low	0	0	aromatic ether; azaspiro compound; carboxamide; N-acylazetidine; oxadiazole; oxaspiro compound; oxetanes	melanin-concentrating hormone receptor antagonist
ML240	[no description available]	low	0	0	aromatic amine; aromatic ether; benzimidazoles; primary amino compound; quinazolines; secondary amino compound	antineoplastic agent
aripiprazole lauroxil	[no description available]	low	0	0	aromatic ether; delta-lactam; dichlorobenzene; dodecanoate ester; N-alkylpiperazine; N-arylpiperazine; quinolone	H1-receptor antagonist; prodrug; second generation antipsychotic; serotonergic agonist
xl765	[no description available]	low	0	0	aromatic amine; aromatic ether; benzamides; quinoxaline derivative; sulfonamide	antineoplastic agent; EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor; mTOR inhibitor
DMH1	[no description available]	low	0	0	aromatic ether; pyrazolopyrimidine; quinolines	antineoplastic agent; bone morphogenetic protein receptor antagonist; protein kinase inhibitor
2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide	[no description available]	low	0	0	aromatic ether; methylpyridines; olefinic compound; quinazolines; secondary amino compound; secondary carboxamide; toluenes
propenylphosphonic acid	[no description available]	low	0	0	aromatic ether
abt-333	[no description available]	low	0	0	aromatic ether; naphthalenes; pyrimidone; sulfonamide	antiviral drug; nonnucleoside hepatitis C virus polymerase inhibitor
naloxegol	[no description available]	low	0	0	aromatic ether; organic heteropentacyclic compound; phenols; polyether; tertiary alcohol	cathartic; mu-opioid receptor antagonist
ceritinib	[no description available]	low	0	0	aminopyrimidine; aromatic ether; organochlorine compound; piperidines; secondary amino compound; sulfone	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
MK-8353	[no description available]	low	0	0	aromatic ether; dihydropyridine; indazoles; methyl sulfide; N-alkylpyrrolidine; pyridines; pyrrolidinecarboxamide; secondary carboxamide; tertiary carboxamide; triazoles	antineoplastic agent; apoptosis inducer; EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
HG-10-102-01	[no description available]	low	0	0	aminopyrimidine; aromatic ether; monocarboxylic acid amide; morpholines; organochlorine compound; secondary amino compound	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
N-[(5-methyl-2-furanyl)methylideneamino]-2-phenoxybenzamide	[no description available]	low	0	0	aromatic ether
saroglitazar	[no description available]	low	0	0	aromatic ether; methyl sulfide; monocarboxylic acid; pyrroles	hypoglycemic agent; PPARalpha agonist; PPARgamma agonist
fertaric acid	[no description available]	low	0	0	aromatic ether; cinnamate ester; dicarboxylic acid; phenols; tetraric acid derivative
pf-06463922	[no description available]	low	0	0	aminopyridine; aromatic ether; azamacrocycle; benzamides; cyclic ether; monofluorobenzenes; nitrile; organic heterotetracyclic compound; pyrazoles	antineoplastic agent; EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
DDR1-IN-1	[no description available]	low	0	0	(trifluoromethyl)benzenes; aromatic ether; benzamides; N-alkylpiperazine; oxindoles; secondary carboxamide	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ldc4297	[no description available]	low	0	0	aromatic ether; piperidines; pyrazoles; pyrazolotriazine; secondary amino compound	antineoplastic agent; antiviral agent; apoptosis inducer; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
MLI-2	[no description available]	low	0	0	aromatic ether; cyclopropanes; indazoles; morpholines; pyrimidines; tertiary amino compound	EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
ap20187	[no description available]	low	0	0	aromatic ether; carboxylic ester; N-acylpiperidine; tertiary amino compound	ligand
biliatresone	[no description available]	low	0	0	aromatic ether; aromatic ketone; benzodioxoles; enone; phenols	plant metabolite; toxin
tak 491	[no description available]	low	0	0	1,2,4-oxadiazole; aromatic ether; benzimidazoles; carboxylic ester; cyclic carbonate ester; dioxolane	angiotensin receptor antagonist; antihypertensive agent; prodrug
azilsartan	[no description available]	low	0	0	1,2,4-oxadiazole; aromatic ether; benzimidazolecarboxylic acid	angiotensin receptor antagonist; antihypertensive agent
hydrazinocurcumin	[no description available]	low	0	0	aromatic ether; olefinic compound; polyphenol; pyrazoles	angiogenesis modulating agent; antineoplastic agent; EC 2.3.1.48 (histone acetyltransferase) inhibitor; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
mirodenafil	[no description available]	low	0	0	aromatic ether; N-alkylpiperazine; primary alcohol; pyrrolopyrimidine; sulfonamide	EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent
cerulomycin	[no description available]	low	0	0	aldoxime; aromatic ether; bipyridines; pyridine alkaloid	antineoplastic agent; bacterial metabolite; marine metabolite
undecylprodigiosin	[no description available]	low	0	0	alkaloid; aromatic ether; tripyrrole	antibacterial agent; antineoplastic agent; apoptosis inducer; bacterial metabolite; biological pigment; immunosuppressive agent; radiosensitizing agent
2-[[4-(trifluoromethoxy)phenyl]methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one	[no description available]	low	0	0	aromatic ether
PF-07304814	[no description available]	low	0	0	aromatic ether; indolecarboxamide; L-leucine derivative; phosphate monoester; pyrrolidin-2-ones; secondary carboxamide	anticoronaviral agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; prodrug
adtn	[no description available]	low	0	0	ketone
methadone	[no description available]	low	0	0	benzenes; diarylmethane; ketone; tertiary amino compound
methyl isobutyl ketone	[no description available]	low	0	0	ketone
diisobutyl ketone	[no description available]	low	0	0	ketone
hexachloroacetone	[no description available]	low	0	0	ketone
diazooxonorleucine	[no description available]	low	0	0	amino acid zwitterion; diazo compound; ketone; non-proteinogenic L-alpha-amino acid	analgesic; antibacterial agent; antimetabolite; antineoplastic agent; antiviral agent; apoptosis inducer; bacterial metabolite; EC 2.4.2.14 (amidophosphoribosyltransferase) inhibitor; EC 3.5.1.2 (glutaminase) inhibitor; EC 6.3.4.2 [CTP synthase (glutamine hydrolyzing)] inhibitor; EC 6.3.5.1 [NAD(+) synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.2 [GMP synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.3 (phosphoribosylformylglycinamidine synthase) inhibitor; EC 6.3.5.4 [asparagine synthase (glutamine-hydrolysing)] inhibitor; EC 6.3.5.5 [carbamoyl-phosphate synthase (glutamine-hydrolysing)] inhibitor; glutamine antagonist
hexahydrofarnesylacetone	[no description available]	low	0	0	ketone
1,3-dichloroacetone	[no description available]	low	0	0	ketone; organochlorine compound
isopropyl methyl ketone	[no description available]	low	0	0	ketone
methyl n-butyl ketone	[no description available]	low	0	0	ketone
hexafluoroacetone	[no description available]	low	0	0	ketone; perfluorinated compound	NMR chemical shift reference compound
benzyl acetone	[no description available]	low	0	0	ketone
nitrosobis(2-oxopropyl)amine	[no description available]	low	0	0	ketone; nitrosamine	carcinogenic agent
pentadecan-2-one	[no description available]	low	0	0	ketone
6-paradol	[no description available]	low	0	0	ketone; monomethoxybenzene; phenols
coronafacic acid	[no description available]	low	0	0	ketone
trapoxin a	[no description available]	low	0	0	epoxide; homodetic cyclic peptide; ketone	antineoplastic agent; EC 3.5.1.98 (histone deacetylase) inhibitor; fungal metabolite
dehydroacetic acid	[no description available]	low	0	0	ketone; pyran-2,4-dione	antibacterial agent; fungicide; plasticiser
yakuchinone-a	[no description available]	low	0	0	ketone; monomethoxybenzene; phenols	antineoplastic agent; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; EC 1.14.13.39 (nitric oxide synthase) inhibitor; metabolite
glaucolide b	[no description available]	low	0	0	carboxylic ester; ketone
(1r,5s)-4-methyl-1-propan-2-ylbicyclo(3.1.0)hex-3-en-2-one	[no description available]	low	0	0	ketone
Angolensin	[no description available]	low	0	0	ketone
arachidonyltrifluoromethane	[no description available]	low	0	0	fatty acid derivative; ketone; olefinic compound; organofluorine compound	EC 3.1.1.4 (phospholipase A2) inhibitor
uf 021	[no description available]	low	0	0	isopropyl ester; ketone; prostaglandins Falpha	antiglaucoma drug; antihypertensive agent; prodrug
15-keto-13,14-dihydroprostaglandin f2alpha	[no description available]	low	0	0	ketone; prostaglandins Falpha	metabolite
prasugrel	[no description available]	low	0	0	acetate ester; cyclopropanes; ketone; monofluorobenzenes; tertiary amino compound; thienopyridine
1-(4-hydroxyphenyl)-7-phenyl-(6E)-hept-6-en-3-one	[no description available]	low	0	0	diarylheptanoid; ketone; phenols	plant metabolite
cloxazolam	[no description available]	low	0	0	hemiaminal ether; oxazolobenzodiazepine
flutazolam	[no description available]	low	0	0	hemiaminal ether; organic molecular entity
mexazolam	[no description available]	low	0	0	hemiaminal ether; oxazolobenzodiazepine
oxazolam	[no description available]	low	0	0	hemiaminal ether; organic molecular entity
solasodine	[no description available]	low	0	0	alkaloid antibiotic; azaspiro compound; hemiaminal ether; oxaspiro compound; sapogenin; steroid alkaloid	anticonvulsant; antifungal agent; antiinfective agent; antioxidant; antipyretic; antispermatogenic agent; apoptosis inducer; cardiotonic drug; central nervous system depressant; diuretic; immunomodulator; plant metabolite; teratogenic agent

Condition	Relationship Strength	Studies	Trials
Canine Diseases	medium	3	1
Cat Diseases	low	1	0
Chronic Disease	low	1	0
Chronic Illness	low	1	0
Chronically Ill	low	1	0
Congenital Zika Syndrome	low	1	0
Congenital Zika Virus Infection	low	1	0
Dandruff	low	3	0
Dermatitis Seborrheica	medium	2	1
Dermatitis, Seborrheic	medium	2	1
Dermatomycoses	medium	3	1
Dermatomycosis	medium	3	1
Dermatophyte Infection	medium	3	1
Dermatophytoses	low	1	0
Dermatophytosis	low	1	0
Disease Models, Animal	low	1	0
Diseases, Occupational	low	1	0
Dog Diseases	medium	3	1
Epidermophytosis	low	1	0
Feline Diseases	low	1	0
Fever, Zika	low	1	0
Fungal Skin Diseases	medium	3	1
Germinoblastoma	low	1	0
Hypermelanosis	medium	1	1
Hyperpigmentation	medium	1	1
Itching	medium	1	1
Lymphoma	low	1	0
Lymphoma, Malignant	low	1	0
Malassezia furfur Infection	medium	2	1
Nail Diseases	low	1	0
Occupational Diseases	low	1	0
Occupational Illnesses	low	1	0
Paronychia	low	1	0
Pityriasis Folliculitis	medium	2	1
Pityriasis Versicolor	medium	2	1
Pityrosporum orbiculare Infection	medium	2	1
Pruritis	medium	1	1
Pruritus	medium	1	1
Reticulolymphosarcoma	low	1	0
Ringworm	low	1	0
Sarcoma, Germinoblastic	low	1	0
Scurf	low	3	0
Seborrhea	medium	2	1
Seborrheic Dermatitis	medium	2	1
Skin Aging	medium	1	1
Skin Diseases, Fungal	medium	3	1
Tinea	low	1	0
Tinea Corporis	low	1	0
Tinea Versicolor	medium	2	1
Trichophyton mentagrophytes Infection	low	1	0
Trichophytosis	low	1	0
Zika Fever	low	1	0
Zika Virus Disease	low	1	0
Zika Virus Infection	low	1	0
ZikV Infection	low	1	0

climbazole

Description

Cross-References

Synonyms (99)

Research Excerpts

Overview

Effects

Actions

Treatment

Drug Classes (5)

Protein Targets (25)

Potency Measurements

Biological Processes (45)

Molecular Functions (18)

Ceullar Components (22)

Bioassays (39)

Research

Studies (55)

Study Types

Research Highlights

Safety/Toxicity (5)

Bioavailability (3)

Dosage (2)

Article	Year
Removal, biotransformation and toxicity variations of climbazole by freshwater algae Scenedesmus obliquus. Environmental pollution (Barking, Essex : 1987), Volume: 240	2018
Photodegradation of the azole fungicide climbazole by ultraviolet irradiation under different conditions: Kinetics, mechanism and toxicity evaluation. Journal of hazardous materials, Nov-15, Volume: 318	2016
Phytotoxicity of wastewater-born micropollutants--Characterisation of three antimycotics and a cationic surfactant. Environmental pollution (Barking, Essex : 1987), Volume: 208, Issue: Pt B	2016
Ecotoxicity of climbazole, a fungicide contained in antidandruff shampoo. Environmental toxicology and chemistry, Volume: 32, Issue: 12	2013
Evaluation of the genotoxicity of the imidazole antifungal climbazole: comparison to published results for other azole compounds. Mutation research, Volume: 672, Issue: 1	2009
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Article	Year
Climbazole boosts activity of retinoids in skin. International journal of cosmetic science, Volume: 39, Issue: 4	2017
Evaluation of the genotoxicity of the imidazole antifungal climbazole: comparison to published results for other azole compounds. Mutation research, Volume: 672, Issue: 1	2009
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]