Compounds > propazole
Page last updated: 2024-09-23

propazole

Description

propazole: RN given refers to parent cpd; structure [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID65708
CHEMBL ID596009
CHEBI ID134840
SCHEMBL ID349966
MeSH IDM0059575

Synonyms (101)

Synonym
EN300-13260
BB 0219682
2-benzimidazolepropionic acid
23249-97-0
NSC35790 ,
1h-benzimidazole-2-propanoic acid
nsc-35790
IFLAB1_003962
NCI60_003248
beta-(2-benzimidazolyl)propionic acid
procodazol [inn-spanish]
nsc 35790
procodazole
brn 0156920
procodazolum [inn-latin]
propazole
procodazole [inn]
propionic acid, 2-(2-benzimidazolyl)-
propazol
beta-(2-benzimidazole)propionic acid
2-(2-carboxyethyl)benzimidazole
3-(1h-benzimidazol-2-yl)propanoic acid
NCGC00013414
OPREA1_461552
procodazol
2-benzimidazolepropionic acid, 97%
NCI35790
NCISTRUC2_000216
NCISTRUC1_000049
OPREA1_527552
NCGC00096529-01
NCGC00096529-02
STK387005
CHEBI:134840
AKOS000200796
4bx ,
HMS1423E02
al-1241
estimulocel
CHEMBL596009 ,
F0852-0156
AB00442573-04
bdbm50305668
3-(1h-benzo[d]imidazol-2-yl)propanoic acid
NCGC00013414-03
HMS3264A18
BBL004542
3-(1h-1,3-benzodiazol-2-yl)propanoic acid
3-(1h-benzoimidazol-2-yl)-propionic acid
unii-sg5iu7fd3r
5-25-04-00311 (beilstein handbook reference)
procodazolum
sg5iu7fd3r ,
pharmakon1600-01506175
nsc-760399
nsc760399
dtxcid3025093
cas-23249-97-0
tox21_110025
dtxsid5045093 ,
S4408
CCG-36559
NCGC00013414-02
FT-0688794
BP-13182
SCHEMBL349966
2-benzimidazole propionic acid
2-benzimidazole-propionic acid
NCGC00013414-04
tox21_110025_1
procodazole [mi]
procodazole [who-dd]
procodazole [mart.]
CS-4578
estimulocel (salt/mix)
3-(1h-benzimidazol-2-yl)propanoic acid #
propionic acid, 3-(2-benzimidazolyl)-
.beta.-(2-benzimidazolyl)propionic acid
.beta.-(2-benzimidazole)propionic acid
J-640101
TS-02680
CS-10157
HY-B1056
AB00442573_05
AB00442573_06
J-800103
et2-n-4,5,6,7-4hbzthiophene carboxylate
mfcd00041215
SR-01000944283-1
sr-01000944283
Z57115077
SW219817-1
BRD-K54824716-001-01-6
3-(1h-benzo[d]imidazol-2-yl)propanoicacid
E78041
propazol;2-benzimidazolepropionic acid
Q27289198
2-benzimidazolepropionicacid
1h-benzimidazole-2-propanoicacid
3-(2-benzimidazolyl)propanoic acid
SY082617

Drug Classes (1)

ClassDescription
benzimidazolesAn organic heterocyclic compound containing a benzene ring fused to an imidazole ring.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (1)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)IC50 (µMol)375.00000.82003.90675.9000AID1464038; AID453509
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (25)

Processvia Protein(s)Taxonomy
microtubule polymerizationPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
positive regulation of protein phosphorylationPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
regulation of cytokinesisPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
protein peptidyl-prolyl isomerizationPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
response to hypoxiaPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
regulation of protein phosphorylationPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
regulation of mitotic nuclear divisionPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
regulation of gene expressionPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
neuron differentiationPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
negative regulation of transforming growth factor beta receptor signaling pathwayPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
regulation of protein stabilityPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
negative regulation of protein bindingPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
positive regulation of protein bindingPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
positive regulation of protein dephosphorylationPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
negative regulation of protein catabolic processPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
positive regulation of GTPase activityPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
positive regulation of transcription by RNA polymerase IIPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
synapse organizationPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
protein stabilizationPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
negative regulation of SMAD protein signal transductionPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
negative regulation of ERK1 and ERK2 cascadePeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
positive regulation of canonical Wnt signaling pathwayPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
regulation of protein localization to nucleusPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
negative regulation of amyloid-beta formationPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
negative regulation of cell motilityPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (12)

Processvia Protein(s)Taxonomy
peptidyl-prolyl cis-trans isomerase activityPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
cytoskeletal motor activityPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
protein bindingPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
beta-catenin bindingPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
cis-trans isomerase activityPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
mitogen-activated protein kinase kinase bindingPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
GTPase activating protein bindingPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
tau protein bindingPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
phosphoserine residue bindingPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
phosphothreonine residue bindingPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
phosphoprotein bindingPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
ubiquitin ligase activator activityPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (9)

Processvia Protein(s)Taxonomy
glutamatergic synapsePeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
postsynaptic cytosolPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
nucleusPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
nucleoplasmPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
cytoplasmPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
cytosolPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
nuclear speckPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
midbodyPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
ciliary basal bodyPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
nucleusPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
cytosolPeptidyl-prolyl cis-trans isomerase NIMA-interacting 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (51)

Assay IDTitleYearJournalArticle
AID1347095qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347106qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347407qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical Collection2020ACS 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.
AID1347083qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347101qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347090qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347092qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347093qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347086qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1745855NCATS anti-infectives library activity on the primary C. elegans qHTS viability assay2023Disease models & mechanisms, 03-01, Volume: 16, Issue:3
In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
AID1347102qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347107qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347425Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)2019The 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.
AID1347103qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154Primary screen GU AMC qHTS for Zika virus inhibitors2020Proceedings 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.
AID1347108qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347097qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347105qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID651635Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1347094qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1745845Primary qHTS for Inhibitors of ATXN expression
AID1347424RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)2019The 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.
AID1347104qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347091qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal2020Antiviral research, 01, Volume: 173A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347089qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells2018Oncotarget, Jan-12, Volume: 9, Issue:4
Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1745854NCATS anti-infectives library activity on HEK293 viability as a counter-qHTS vs the C. elegans viability qHTS2023Disease models & mechanisms, 03-01, Volume: 16, Issue:3
In vivo quantitative high-throughput screening for drug discovery and comparative toxicology.
AID1224817Assays to identify small molecules inhibitory for eIF4E expression2015Chemistry & biology, Jul-23, Volume: 22, Issue:7
Internal Ribosome Entry Site-Based Bicistronic In Situ Reporter Assays for Discovery of Transcription-Targeted Lead Compounds.
AID453680Cytotoxicity against human PC3 cells in serum free media2010Bioorganic & medicinal chemistry letters, Jan-15, Volume: 20, Issue:2
Structure-guided design of alpha-amino acid-derived Pin1 inhibitors.
AID513948Effect on human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at 100 uM at pH 72010Bioorganic & medicinal chemistry, Jul-15, Volume: 18, Issue:14
Identification of novel inhibitors for a low molecular weight protein tyrosine phosphatase via virtual screening.
AID1464038Inhibition of Pin1 (unknown origin) assessed as reduction in peptidyl-prolyl isomerase activity incubated for 30 mins using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide substrate by protease coupled assay2017Bioorganic & medicinal chemistry, 10-15, Volume: 25, Issue:20
Conjugates of 18β-glycyrrhetinic acid derivatives with 3-(1H-benzo[d]imidazol-2-yl)propanoic acid as Pin1 inhibitors displaying anti-prostate cancer ability.
AID513947Effect on human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at 100 uM at pH 52010Bioorganic & medicinal chemistry, Jul-15, Volume: 18, Issue:14
Identification of novel inhibitors for a low molecular weight protein tyrosine phosphatase via virtual screening.
AID1464037Inhibition of Pin1 (unknown origin) assessed as reduction in peptidyl-prolyl isomerase activity at 10 uM incubated for 30 mins using Suc-Ala-Glu-cis-Pro-Phe-4-nitroanilide substrate by protease coupled assay2017Bioorganic & medicinal chemistry, 10-15, Volume: 25, Issue:20
Conjugates of 18β-glycyrrhetinic acid derivatives with 3-(1H-benzo[d]imidazol-2-yl)propanoic acid as Pin1 inhibitors displaying anti-prostate cancer ability.
AID1464036Antiproliferative activity against human LNCAP cells assessed as inhibition of cell growth incubated for 96 hrs by MTT assay2017Bioorganic & medicinal chemistry, 10-15, Volume: 25, Issue:20
Conjugates of 18β-glycyrrhetinic acid derivatives with 3-(1H-benzo[d]imidazol-2-yl)propanoic acid as Pin1 inhibitors displaying anti-prostate cancer ability.
AID1471573Agonist activity at human recombinant phosphorylated AMPK complex 7 alpha2/beta1/gamma1 expressed in baculovirus infected Sf21 cells assessed as phosphorylation of 5-FAM-labeled SAMS substrate at 50 uM preincubated for 30 mins in presence of AMPK activato2017Journal of medicinal chemistry, 11-09, Volume: 60, Issue:21
Hit-to-Lead Optimization and Discovery of 5-((5-([1,1'-Biphenyl]-4-yl)-6-chloro-1H-benzo[d]imidazol-2-yl)oxy)-2-methylbenzoic Acid (MK-3903): A Novel Class of Benzimidazole-Based Activators of AMP-Activated Protein Kinase.
AID513949Effect on human cytoplasmic protein tyrosine phosphatase B assessed as change in enzyme activity at 100 uM at pH 52010Bioorganic & medicinal chemistry, Jul-15, Volume: 18, Issue:14
Identification of novel inhibitors for a low molecular weight protein tyrosine phosphatase via virtual screening.
AID1464035Antiproliferative activity against human PC3 cells assessed as inhibition of cell growth incubated for 96 hrs by MTT assay2017Bioorganic & medicinal chemistry, 10-15, Volume: 25, Issue:20
Conjugates of 18β-glycyrrhetinic acid derivatives with 3-(1H-benzo[d]imidazol-2-yl)propanoic acid as Pin1 inhibitors displaying anti-prostate cancer ability.
AID1375636Displacement of N-terminal FITC-labeled RLRGG from N-terminal AviTag/C-terminal His6-tagged HDAC6 ZnF-UBD (unknown origin) expressed in Escherichia coli BL21 (DE3) after 10 mins by fluorescence polarization assay2018Journal of medicinal chemistry, 05-24, Volume: 61, Issue:10
Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
AID1471575Agonist activity at human recombinant phosphorylated AMPK complex 7 alpha2/beta1/gamma1 expressed in baculovirus infected Sf21 cells assessed as phosphorylation of 5-FAM-labeled SAMS substrate preincubated for 30 mins in presence of AMPK activator followe2017Journal of medicinal chemistry, 11-09, Volume: 60, Issue:21
Hit-to-Lead Optimization and Discovery of 5-((5-([1,1'-Biphenyl]-4-yl)-6-chloro-1H-benzo[d]imidazol-2-yl)oxy)-2-methylbenzoic Acid (MK-3903): A Novel Class of Benzimidazole-Based Activators of AMP-Activated Protein Kinase.
AID453509Inhibition of 8His-tagged Pin1 PPIase domain (45-163)2010Bioorganic & medicinal chemistry letters, Jan-15, Volume: 20, Issue:2
Structure-guided design of alpha-amino acid-derived Pin1 inhibitors.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1794808Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).2014Journal of biomolecular screening, Jul, Volume: 19, Issue:6
A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum.
AID1794808Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL).
AID504749qHTS profiling for inhibitors of Plasmodium falciparum proliferation2011Science (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]

Research

Studies (21)

TimeframeStudies, This Drug (%)All Drugs %
pre-19902 (9.52)18.7374
1990's0 (0.00)18.2507
2000's0 (0.00)29.6817
2010's11 (52.38)24.3611
2020's8 (38.10)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies1 (4.76%)4.05%
Observational0 (0.00%)0.25%
Other20 (95.24%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
3,5-dibromotyrosine[no description available]medium20monocarboxylic acid
1-amino-2-phenylethylphosphonic acid[no description available]medium20
1-amino-1-phenylmethyl phosphonic acid[no description available]medium10benzenes;
phosphonic acids;
primary amino compound
2-(3-pyridine)acetic acid[no description available]medium10monocarboxylic acid;
pyridines		human xenobiotic metabolite
ureidosuccinic acid[no description available]medium10aspartic acid derivative;
C4-dicarboxylic acid;
N-carbamoyl-amino acid		Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite
arabinofuranosylcytosine triphosphate[no description available]medium10pyrimidine ribonucleoside monophosphate
aminoethylphosphonic acid[no description available]medium10phosphonic acids;
primary amino compound;
zwitterion		human metabolite;
metabolite;
mouse metabolite
gamma-guanidinobutyric acid[no description available]medium10guanidines;
monocarboxylic acid;
zwitterion		fungal metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
inositol[no description available]medium10cyclitol;
hexol
pentachlorophenol[no description available]medium10aromatic fungicide;
chlorophenol;
organochlorine pesticide;
pentachlorobenzenes		human xenobiotic metabolite
phenylalanine[no description available]medium10alpha-amino acid;
aromatic amino acid		Daphnia magna metabolite
nsc-267703[no description available]medium10anthracycline
n-acetyltryptophan[no description available]medium10N-acetyl-amino acid;
tryptophan derivative		metabolite
tyrphostin ag957[no description available]medium10aromatic amine
2-amino-4-phosphonobutyric acid[no description available]medium10
aristolochic acid i[no description available]medium10aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
benzbromarone[no description available]medium101-benzofurans;
aromatic ketone		uricosuric drug
benzylhydrochlorothiazide[no description available]medium10benzenes;
benzothiadiazine;
organochlorine compound;
secondary amino compound;
sulfonamide
eucalyptol[no description available]medium10
amberlite cg 400[no description available]medium10methyl ester;
organic heteropentacyclic compound;
yohimban alkaloid
stallimycin[no description available]medium10
domperidone[no description available]medium10benzimidazoles;
heteroarylpiperidine		antiemetic;
dopaminergic antagonist
ellipticine[no description available]medium10indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene		antineoplastic agent;
plant metabolite
glyphosate[no description available]medium10glycine derivative;
phosphonic acid		agrochemical;
EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor;
herbicide
haloperidol[no description available]medium20aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
miltefosine[no description available]medium20phosphocholines;
phospholipid		anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor
hypericin[no description available]medium10
batyl alcohol[no description available]medium10alkylglycerol
imipramine[no description available]medium10dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
nsc 664704[no description available]medium10indolobenzazepine;
lactam;
organobromine compound		cardioprotective agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
geroprotector
ketoconazole[no description available]medium10dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
khellin[no description available]medium10furanochromone;
organic heterotricyclic compound;
oxacycle		anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent
2-amino-3-phosphonopropionic acid[no description available]medium10alanine derivative;
non-proteinogenic alpha-amino acid;
phosphonic acids		human metabolite;
metabotropic glutamate receptor antagonist
benzylsuccinic acid[no description available]medium10dicarboxylic acidbacterial xenobiotic metabolite
beta-lapachone[no description available]medium10benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
mesoridazine[no description available]medium10phenothiazines;
sulfoxide;
tertiary amino compound		dopaminergic antagonist;
first generation antipsychotic
methoxsalen[no description available]medium10aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite
oxaprozin[no description available]medium101,3-oxazoles;
monocarboxylic acid		analgesic;
non-steroidal anti-inflammatory drug
penicillamine[no description available]medium10non-proteinogenic alpha-amino acid;
thiol
pentoxifylline[no description available]medium20oxopurine
phenolsulfonphthalein[no description available]medium102,1-benzoxathiole;
arenesulfonate ester;
phenols;
sultone		acid-base indicator;
diagnostic agent;
two-colour indicator
Picrotin, analytical standard[no description available]medium10furopyran
pomiferin[no description available]medium10isoflavanones
pridinol[no description available]medium10piperidines;
tertiary alcohol		antiparkinson drug;
muscle relaxant
sulfaquinoxaline[no description available]medium10benzenes;
sulfonamide
suramin[no description available]medium10naphthalenesulfonic acid;
phenylureas;
secondary carboxamide		angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug
4-methylglutamic acid[no description available]medium10amino dicarboxylic acid;
glutamic acid derivative
pilocarpine hydrochloride[no description available]medium10hydrochloride
veratramine[no description available]medium10piperidine alkaloid
gibberellic acid[no description available]medium10C19-gibberellin;
gibberellin monocarboxylic acid;
lactone;
organic heteropentacyclic compound		mouse metabolite;
plant metabolite
santowhite powder[no description available]medium10
fentichlor[no description available]medium10aryl sulfide;
bridged diphenyl antifungal drug;
monochlorobenzenes;
polyphenol		antiinfective agent;
drug allergen
pyrrolidonecarboxylic acid[no description available]medium105-oxoproline;
L-proline derivative;
non-proteinogenic L-alpha-amino acid		algal metabolite
hexadecanolide[no description available]medium10macrolide
pamoic acid[no description available]medium10dicarboxylic acid
carzenide[no description available]medium10sulfonamide
estradiol 17 beta-cypionate[no description available]medium10steroid ester
lithocholic acid[no description available]medium10bile acid;
C24-steroid;
monohydroxy-5beta-cholanic acid		geroprotector;
human metabolite;
mouse metabolite
jervine[no description available]medium10piperidines
bicuculline[no description available]medium10benzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines		agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin
salicylurate[no description available]medium10N-acylglycine;
secondary carboxamide		human xenobiotic metabolite;
uremic toxin
3,5-pyridinedicarboxylic acid[no description available]medium10pyridinedicarboxylic acid
ricinine[no description available]medium10nitrile;
pyridine alkaloid;
pyridone
carinamide[no description available]medium10
hematoporphyrin[no description available]medium10
1H-indazol-3-amine[no description available]medium10indazoles
1,1'-methylenedi-2-naphthol[no description available]medium10
tricarballylic acid[no description available]medium10tricarboxylic acid
popop[no description available]medium101,3-oxazolesfluorochrome
2-tert-butylhydroquinone[no description available]medium10hydroquinonesfood antioxidant
7-hydroxychlorpromazine[no description available]medium10phenothiazines
cme-carbodiimide[no description available]medium10
cyclacillin[no description available]medium10penicillinantibacterial drug
strombine[no description available]medium10
thymolphthalein[no description available]medium10terpene lactone
1,4,5,8-naphthalenetetracarboxylic acid[no description available]medium10
(7S,9S)-7-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione[no description available]medium10anthracycline
hydroxyphenylazouracil[no description available]medium10
canadine[no description available]medium10aromatic ether;
berberine alkaloid;
organic heteropentacyclic compound;
oxacycle
pimonidazole[no description available]medium10
flavone acetic acid[no description available]medium10
trichlorophene[no description available]medium10
verapamil hydrochloride[no description available]medium10
4-aminomethylbenzoic acid[no description available]medium10benzoic acids
cedrol[no description available]medium10cedrane sesquiterpenoid;
tertiary alcohol
reserpic acid[no description available]medium10yohimban alkaloid
pifexole[no description available]medium10
Diphenolic acid[no description available]medium10bisphenol
Melicopidine[no description available]medium10acridines
resorufin[no description available]medium10phenoxazine
vinburnine[no description available]medium10alkaloid
pacein[no description available]medium10
alantolactone[no description available]medium10naphthofuran;
olefinic compound;
sesquiterpene lactone		antineoplastic agent;
apoptosis inducer;
plant metabolite
2-(4'-methylpiperazino-1-methyl)-1,3-diazafluoranthene 1-oxide[no description available]medium10
tetrandrine[no description available]medium20bisbenzylisoquinoline alkaloid;
isoquinolines
stictic acid[no description available]medium10aromatic ether
gallocyanine[no description available]medium10
propylsulfonic acid[no description available]medium10
1-cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide[no description available]medium10carbodiimide;
morpholines		cross-linking reagent
6,6'-dithiodinicotinic acid[no description available]medium10
va 061[no description available]medium10
n-acetyltyrosine, (dl)-isomer[no description available]medium10N-acetyl-amino acid;
phenols;
tyrosine derivative		human urinary metabolite
cinchonine[no description available]medium10(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite
n(6)-(delta(2)-isopentenyl)adenine[no description available]medium106-isopentenylaminopurinecytokinin
2-Phthalimidoglutaricacid[no description available]medium10glutamic acid derivative
nsc-87877[no description available]medium10
methyl lithocholate[no description available]medium10
nipecotic acid amide[no description available]medium10piperidinecarboxamide
dimethacrine[no description available]medium10acridines
dehydroabietic acid[no description available]medium10abietane diterpenoid;
carbotricyclic compound;
monocarboxylic acid		allergen;
metabolite
4-deoxypyridoxine 5'-phosphate[no description available]medium10
4-(phenylthio)butanoic acid[no description available]medium10
bis-a-tda[no description available]medium10
4-fluoro-alpha-hydroxybenzeneacetic acid[no description available]medium10
Isopteropodin[no description available]medium10indolizines
benzpiperylone[no description available]medium10pyrazoles;
ring assembly
carboxyamido-triazole[no description available]medium10
nsc 607097[no description available]medium10
pacifenol[no description available]medium10
n-phenyliminodiacetic acid[no description available]medium10
cyc 202[no description available]medium102,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
cystamine hydrochloride[no description available]medium10
dipiperidinoethane-di-n-oxide[no description available]medium10
benzyl-beta-d-xyloside[no description available]medium10
2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid[no description available]medium10dicarboxylic acid
2,4-dinitrophenylacetic acid[no description available]medium10
sitosterol, (3beta)-isomer[no description available]medium103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
C29-steroid;
phytosterols;
stigmastane sterol		anticholesteremic drug;
antioxidant;
mouse metabolite;
plant metabolite;
sterol methyltransferase inhibitor
(5-Phenyl-1,2,4-triazol-3-yl)urea[no description available]medium10benzenes
fumagillol[no description available]medium10secondary alcohol;
sesquiterpenoid;
spiro-epoxide		antimicrobial agent
vacquinol-1[no description available]medium10
aspidospermine[no description available]medium10indole alkaloid
guaiol[no description available]medium10guaiane sesquiterpenoid
benzatropine methanesulfonate[no description available]medium10
pseudoyohimbine[no description available]medium10methyl 17-hydroxy-20xi-yohimban-16-carboxylate
gant58[no description available]medium10pyridines
nsc 88915[no description available]medium10
o-acetylsolasodine[no description available]medium10
viroallosecurinine[no description available]medium10indolizines
4-methyl-2-quinazolinamine[no description available]medium10
1-amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid[no description available]medium10
adamantoylcytarabine[no description available]medium10
6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester[no description available]medium10naphthalenes
noscapine[no description available]medium10aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound		antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite
LSM-1290[no description available]medium10benzazepine alkaloid;
cyclic acetal
2-glycineamide-5-chlorophenyl-2-pyrryl ketone[no description available]medium10
nsc 154020[no description available]medium10N-glycosyl compound
4-[(1-naphthalenylamino)-oxomethyl]benzene-1,3-dicarboxylic acid[no description available]medium102-hydroxyisophthalic acid
2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one[no description available]medium10cyclic ketone;
quinuclidines
5-(1,3-benzodioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine[no description available]medium10benzodioxoles
croton factor f1[no description available]medium10phorbol ester;
tertiary alpha-hydroxy ketone
medicarpin[no description available]medium10medicarpinplant metabolite
gitoxigenin[no description available]medium1014beta-hydroxy steroid;
16beta-hydroxy steroid;
3beta-hydroxy steroid
aromoline[no description available]medium10
nsc668394[no description available]medium10
gant 61[no description available]medium10aminal;
dialkylarylamine;
pyridines;
substituted aniline;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
glioma-associated oncogene inhibitor;
Hedgehog signaling pathway inhibitor
nortriptyline hydrochloride[no description available]medium10organic tricyclic compoundgeroprotector
nsc 45641[no description available]medium10
geraniol[no description available]medium103,7-dimethylocta-2,6-dien-1-ol;
monoterpenoid;
primary alcohol		allergen;
fragrance;
plant metabolite;
volatile oil component
aconitic acid[no description available]medium10aconitic acidfundamental metabolite
amygdalin[no description available]medium10
alpha-phenylcinnamate[no description available]medium10
curcumin[no description available]medium20aromatic 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
ethyldimethylaminopropyl carbodiimide[no description available]medium10
tamoxifen citrate[no description available]medium10citrate saltangiogenesis inhibitor;
anticoronaviral agent
eskazine[no description available]medium10
nsc 336628[no description available]medium10
1,3-dimethyl-8-[2-(1-pyrrolidinyl)ethylthio]-6-sulfanylidene-7H-purin-2-one[no description available]medium10oxopurine
cambinol[no description available]medium10
nsc 117199[no description available]medium10
mangostin[no description available]medium20aromatic ether;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite
coumestrol[no description available]medium10coumestans;
delta-lactone;
polyphenol		anti-inflammatory agent;
antioxidant;
plant metabolite
rottlerin[no description available]medium10aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone		anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite
ellagic acid[no description available]medium10catechols;
cyclic ketone;
lactone;
organic heterotetracyclic compound;
polyphenol		antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor;
EC 2.4.1.1 (glycogen phosphorylase) inhibitor;
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor;
EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor;
EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
food additive;
fungal metabolite;
geroprotector;
plant metabolite;
skin lightening agent
7,8-dimethylalloxazine[no description available]medium107,8-dimethylbenzo[g]pteridine-2,4-dioneplant metabolite
dihydrothobainone[no description available]medium10
piperic acid[no description available]medium10alpha,beta-unsaturated monocarboxylic acid;
benzodioxoles		plant metabolite
abscisic acid[no description available]medium10abscisic acids
radicinin[no description available]medium10aromatic ketone
5,6-dichloro-1H-imidazo[4,5-b]pyrazine-2-carboxylic acid[no description available]medium10imidazopyrazine
hispanolone[no description available]medium10
veratridine[no description available]medium10
zimelidine hydrochloride[no description available]medium10
chlortetracycline hydrochloride[no description available]medium10
viridicatumtoxin[no description available]medium10
dacarbazine[no description available]medium10dacarbazine
hematein[no description available]medium10
juglone[no description available]medium10hydroxy-1,4-naphthoquinonegeroprotector;
herbicide;
reactive oxygen species generator
glycyrrhetinic acid[no description available]medium10cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		immunomodulator;
plant metabolite
aminolevulinic acid[no description available]medium104-oxo monocarboxylic acid;
amino acid zwitterion;
delta-amino acid		antineoplastic agent;
dermatologic drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite;
prodrug;
Saccharomyces cerevisiae metabolite
coumarin[no description available]medium10coumarinsfluorescent dye;
human metabolite;
plant metabolite
salicylic acid[no description available]medium10monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
thioctic acid[no description available]medium10dithiolanes;
heterocyclic fatty acid;
thia fatty acid		fundamental metabolite;
geroprotector
picolinic acid[no description available]medium10pyridinemonocarboxylic acidhuman metabolite;
MALDI matrix material
thiamine[no description available]medium10primary alcohol;
vitamin B1		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
3-aminobenzamide[no description available]medium10benzamides;
substituted aniline		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
pleconaril[no description available]medium10
4-(2-aminoethyl)benzenesulfonylfluoride[no description available]medium10
phenytoin[no description available]medium10imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
acetazolamide[no description available]medium10monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
alprenolol[no description available]medium10secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
amantadine[no description available]medium10adamantanes;
primary aliphatic amine		analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic
2-aminothiazole[no description available]medium101,3-thiazoles;
primary amino compound
amodiaquine[no description available]medium10aminoquinoline;
organochlorine compound;
phenols;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
drug allergen;
EC 2.1.1.8 (histamine N-methyltransferase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug
aspirin[no description available]medium10benzoic acids;
phenyl acetates;
salicylates		anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent
baclofen[no description available]medium10amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound		central nervous system depressant;
GABA agonist;
muscle relaxant
benzamide[no description available]medium10benzamides
camostat[no description available]medium10benzoate ester;
carboxylic ester;
diester;
guanidines;
tertiary carboxamide		anti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor
camphor, (+-)-isomer[no description available]medium10bornane monoterpenoid;
cyclic monoterpene ketone		plant metabolite
candesartan[no description available]medium10benzimidazolecarboxylic acid;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
cetylpyridinium[no description available]medium10pyridinium ion
chloroxylenol[no description available]medium10monochlorobenzenes;
phenols		antiseptic drug;
disinfectant;
molluscicide
chlorpromazine[no description available]medium10organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
ciprofibrate[no description available]medium10cyclopropanes;
monocarboxylic acid;
organochlorine compound		antilipemic drug
clomipramine[no description available]medium10dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
danthron[no description available]medium10dihydroxyanthraquinoneapoptosis inducer;
plant metabolite
deferiprone[no description available]medium104-pyridonesiron chelator;
protective agent
dipyridamole[no description available]medium10piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
disulfiram[no description available]medium10organic disulfide;
organosulfur acaricide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor
valproic acid[no description available]medium10branched-chain fatty acid;
branched-chain saturated fatty acid		anticonvulsant;
antimanic drug;
EC 3.5.1.98 (histone deacetylase) inhibitor;
GABA agent;
neuroprotective agent;
psychotropic drug;
teratogenic agent
doxazosin[no description available]medium10aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines		alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent
ebselen[no description available]medium10benzoselenazoleanti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger
etidronate[no description available]medium101,1-bis(phosphonic acid)antineoplastic agent;
bone density conservation agent;
chelator
2-hexyloxybenzamide[no description available]medium10aromatic ether;
benzamides		antifungal agent
brl 42810[no description available]medium102-aminopurines;
acetate ester		antiviral drug;
prodrug
fluphenazine[no description available]medium10N-alkylpiperazine;
organofluorine compound;
phenothiazines		anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
fluorouracil[no description available]medium10nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
gabexate[no description available]medium10benzoate ester
glutaral[no description available]medium10dialdehydecross-linking reagent;
disinfectant;
fixative
fasudil[no description available]medium10isoquinolines;
N-sulfonyldiazepane		antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent
hexylresorcinol[no description available]medium10resorcinols
beta-thujaplicin[no description available]medium10cyclic ketone;
enol;
monoterpenoid		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite
hycanthone[no description available]medium10thioxanthenesmutagen;
schistosomicide drug
hydrochlorothiazide[no description available]medium10benzothiadiazine;
organochlorine compound;
sulfonamide		antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
hydroxyurea[no description available]medium10one-carbon compound;
ureas		antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent
ibuprofen[no description available]medium10monocarboxylic acidantipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
radical scavenger;
xenobiotic
indomethacin[no description available]medium10aromatic 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
avapro[no description available]medium10azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
itraconazole[no description available]medium10piperazines
kojic acid[no description available]medium104-pyranones;
enol;
primary alcohol		Aspergillus metabolite;
EC 1.10.3.1 (catechol oxidase) inhibitor;
EC 1.10.3.2 (laccase) inhibitor;
EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 1.4.3.3 (D-amino-acid oxidase) inhibitor;
NF-kappaB inhibitor;
skin lightening agent
lapachol[no description available]medium10
loperamide[no description available]medium10monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol		anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist
loratadine[no description available]medium10benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
losartan[no description available]medium10biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide[no description available]medium10benzamides;
hydroxamic acid;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
mafenide[no description available]medium10aromatic amine
methazolamide[no description available]medium10sulfonamide;
thiadiazoles
methocarbamol[no description available]medium10aromatic ether;
carbamate ester;
secondary alcohol
mitoxantrone[no description available]medium10dihydroxyanthraquinoneanalgesic;
antineoplastic agent
entinostat[no description available]medium10benzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
ethylmaleimide[no description available]medium10maleimidesanticoronaviral agent;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.1.1 (hexokinase) inhibitor
nabumetone[no description available]medium10methoxynaphthalene;
methyl ketone		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
nafamostat[no description available]medium10benzoic acids;
guanidines
nevirapine[no description available]medium10cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor
omeprazole[no description available]medium10aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
osalmide[no description available]medium10organic molecular entity
oxethazaine[no description available]medium10amino acid amide
palmidrol[no description available]medium10endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-(saturated fatty acyl)ethanolamine		anti-inflammatory drug;
anticonvulsant;
antihypertensive agent;
neuroprotective agent
papaverine[no description available]medium10benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent
perhexiline[no description available]medium10piperidinescardiovascular drug
phenazopyridine[no description available]medium10diaminopyridine;
monoazo compound		anticoronaviral agent;
carcinogenic agent;
local anaesthetic;
non-narcotic analgesic
4-phenylbutyric acid[no description available]medium10monocarboxylic acidantineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor;
prodrug
phenylmethylsulfonyl fluoride[no description available]medium10acyl fluorideserine proteinase inhibitor
pimobendan[no description available]medium10benzimidazoles;
pyridazinone		cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
pj-34[no description available]medium10phenanthridines;
secondary carboxamide;
tertiary amino compound		angiogenesis inhibitor;
anti-inflammatory agent;
antiatherosclerotic agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
neuroprotective agent
praziquantel[no description available]medium10isoquinolines
probenecid[no description available]medium10benzoic acids;
sulfonamide		uricosuric drug
probucol[no description available]medium10dithioketal;
polyphenol		anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug
promazine[no description available]medium10phenothiazines;
tertiary amine		antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist
promethazine[no description available]medium10phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
propranolol[no description available]medium10naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
rimantadine[no description available]medium10alkylamine
rolipram[no description available]medium10pyrrolidin-2-onesantidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
scriptaid[no description available]medium10isoquinolines
sebacic acid[no description available]medium10alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		human metabolite;
plant metabolite
fenofibrate[no description available]medium10benzochromenone;
delta-lactone;
naphtho-alpha-pyrone		platelet aggregation inhibitor;
Sir2 inhibitor
imatinib[no description available]medium10aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines		antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
suprofen[no description available]medium10aromatic ketone;
monocarboxylic acid;
thiophenes		antirheumatic drug;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
thalidomide[no description available]medium10phthalimides;
piperidones
ticlopidine[no description available]medium10monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
triamterene[no description available]medium10pteridinesdiuretic;
sodium channel blocker
trifluoperazine[no description available]medium10N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines		antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug
triflupromazine[no description available]medium10organofluorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
trigonelline[no description available]medium10alkaloid;
iminium betaine		food component;
human urinary metabolite;
plant metabolite
trimethobenzamide[no description available]medium10benzamides;
tertiary amino compound		antiemetic
trimethoprim[no description available]medium10aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
tyrphostin a9[no description available]medium10alkylbenzenegeroprotector
delavirdine[no description available]medium10aminopyridine;
indolecarboxamide;
N-acylpiperazine;
sulfonamide		antiviral drug;
HIV-1 reverse transcriptase inhibitor
vesnarinone[no description available]medium10organic molecular entity
idoxuridine[no description available]medium10organoiodine compound;
pyrimidine 2'-deoxyribonucleoside		antiviral drug;
DNA synthesis inhibitor
chloramphenicol[no description available]medium10C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
lysine[no description available]medium10aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid		algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
phenylethyl alcohol[no description available]medium10benzenes;
primary alcohol		Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite
zoxazolamine[no description available]medium10benzoxazole
cycloheximide[no description available]medium10antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor
ficusin[no description available]medium10psoralensplant metabolite
tubercidin[no description available]medium10antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside		antimetabolite;
antineoplastic agent;
bacterial metabolite
trifluridine[no description available]medium10nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
EC 2.1.1.45 (thymidylate synthase) inhibitor
9,10-anthraquinone[no description available]medium10anthraquinone
salicylanilide[no description available]medium10benzanilide fungicide;
salicylamides;
salicylanilides
gramine[no description available]medium10aminoalkylindole;
indole alkaloid;
tertiary amino compound		antibacterial agent;
antiviral agent;
plant metabolite;
serotonergic antagonist
aminacrine[no description available]medium10aminoacridines;
primary amino compound		acid-base indicator;
antiinfective agent;
antiseptic drug;
fluorescent dye;
MALDI matrix material;
mutagen
methyl gallate[no description available]medium10gallate esteranti-inflammatory agent;
antioxidant;
plant metabolite
monobenzone[no description available]medium10benzyl etherallergen;
dermatologic drug;
melanin synthesis inhibitor
ditiocarb[no description available]medium10dithiocarbamic acidschelator;
copper chelator
catechin[no description available]medium10catechinantioxidant;
plant metabolite
azacitidine[no description available]medium10N-glycosyl-1,3,5-triazine;
nucleoside analogue		antineoplastic agent
lucanthone[no description available]medium10thioxanthenesadjuvant;
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
mutagen;
photosensitizing agent;
prodrug;
schistosomicide drug
cepharanthine[no description available]medium10bisbenzylisoquinoline alkaloid;
isoquinolines
aloe emodin[no description available]medium10aromatic primary alcohol;
dihydroxyanthraquinone		antineoplastic agent;
plant metabolite
chrysophanic acid[no description available]medium10dihydroxyanthraquinoneanti-inflammatory agent;
antiviral agent;
plant metabolite
emetine[no description available]medium10isoquinoline alkaloid;
pyridoisoquinoline		antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor
osthol[no description available]medium10botanical anti-fungal agent;
coumarins		metabolite
flavanone[no description available]medium10flavanones
phloretic acid[no description available]medium10hydroxy monocarboxylic acidplant metabolite
oleanolic acid[no description available]medium10hydroxy monocarboxylic acid;
pentacyclic triterpenoid		plant metabolite
angelicin[no description available]medium10furanocoumarin
diperodon[no description available]medium10carbamate ester
megestrol acetate[no description available]medium1020-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
steroid ester		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive
acetylcysteine[no description available]medium10acetylcysteine;
L-cysteine derivative;
N-acetyl-L-amino acid		antidote to paracetamol poisoning;
antiinfective agent;
antioxidant;
antiviral drug;
ferroptosis inhibitor;
geroprotector;
human metabolite;
mucolytic;
radical scavenger;
vulnerary
hydroxychloroquine sulfate[no description available]medium10
ethambutol[no description available]medium10ethanolamines;
ethylenediamine derivative		antitubercular agent;
environmental contaminant;
xenobiotic
metformin hydrochloride[no description available]medium10hydrochlorideenvironmental contaminant;
hypoglycemic agent;
xenobiotic
antimycin a[no description available]medium10benzamides;
formamides;
macrodiolide;
phenols		antifungal agent;
mitochondrial respiratory-chain inhibitor;
piscicide
5,5'-dimethyl-2,2'-bipyridyl[no description available]medium10bipyridines
dichlorobenzyl alcohol[no description available]medium10benzyl alcohols;
dichlorobenzene		antiseptic drug
stavudine[no description available]medium10dihydrofuran;
nucleoside analogue;
organic molecular entity		antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
dideoxyadenosine[no description available]medium10adenosines;
purine 2',3'-dideoxyribonucleoside		EC 3.5.4.4 (adenosine deaminase) inhibitor;
EC 4.6.1.1 (adenylate cyclase) inhibitor
vidarabine[no description available]medium10beta-D-arabinoside;
purine nucleoside		antineoplastic agent;
bacterial metabolite;
nucleoside antibiotic
3-deazaadenosine[no description available]medium10
zalcitabine[no description available]medium10pyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
ancitabine[no description available]medium10diol;
organic heterotricyclic compound		antimetabolite;
antineoplastic agent;
prodrug
chloropyramine[no description available]medium10aminopyridine
levamisole[no description available]medium106-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazoleantinematodal drug;
antirheumatic drug;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
immunological adjuvant;
immunomodulator
n'-nitrosonornicotine[no description available]medium10pyridines;
pyrrolidines
daunorubicin[no description available]medium10aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite
zidovudine[no description available]medium10azide;
pyrimidine 2',3'-dideoxyribonucleoside		antimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
ribavirin[no description available]medium101-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide		anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
pyridoxal phosphate[no description available]medium10pyridinecarbaldehyde
nitazoxanide[no description available]medium10benzamides;
carboxylic ester
captopril[no description available]medium10alkanethiol;
L-proline derivative;
N-acylpyrrolidine;
pyrrolidinemonocarboxylic acid		antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
oltipraz[no description available]medium101,2-dithiole;
pyrazines		angiogenesis modulating agent;
antimutagen;
antineoplastic agent;
antioxidant;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
neurotoxin;
protective agent;
schistosomicide drug
fiacitabine[no description available]medium10
ranolazine[no description available]medium10aromatic amide;
monocarboxylic acid amide;
monomethoxybenzene;
N-alkylpiperazine;
secondary alcohol
brequinar[no description available]medium10biphenyls;
monocarboxylic acid;
monofluorobenzenes;
quinolinemonocarboxylic acid		anticoronaviral agent;
antimetabolite;
antineoplastic agent;
antiviral agent;
EC 1.3.5.2 [dihydroorotate dehydrogenase (quinone)] inhibitor;
immunosuppressive agent;
pyrimidine synthesis inhibitor
imiquimod[no description available]medium10imidazoquinolineantineoplastic agent;
interferon inducer
adefovir[no description available]medium106-aminopurines;
ether;
phosphonic acids		antiviral drug;
DNA synthesis inhibitor;
drug metabolite;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent
cidofovir anhydrous[no description available]medium10phosphonic acids;
pyrimidone		anti-HIV agent;
antineoplastic agent;
antiviral drug;
photosensitizing agent
celgosivir[no description available]medium10
gemcitabine[no description available]medium10organofluorine compound;
pyrimidine 2'-deoxyribonucleoside		antimetabolite;
antineoplastic agent;
antiviral drug;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
environmental contaminant;
immunosuppressive agent;
photosensitizing agent;
prodrug;
radiosensitizing agent;
xenobiotic
lamivudine[no description available]medium10monothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol		allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug
valsartan[no description available]medium10biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
zanamivir[no description available]medium10guanidinesantiviral agent;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
adefovir dipivoxil[no description available]medium106-aminopurines;
carbonate ester;
ether;
organic phosphonate		antiviral drug;
DNA synthesis inhibitor;
HIV-1 reverse transcriptase inhibitor;
nephrotoxic agent;
prodrug
emtricitabine[no description available]medium10monothioacetal;
nucleoside analogue;
organofluorine compound;
pyrimidone		antiviral drug;
HIV-1 reverse transcriptase inhibitor
octyl gallate[no description available]medium10gallate esterfood antioxidant;
hypoglycemic agent;
plant metabolite
efavirenz[no description available]medium10acetylenic compound;
benzoxazine;
cyclopropanes;
organochlorine compound;
organofluorine compound		antiviral drug;
HIV-1 reverse transcriptase inhibitor
nelfinavir[no description available]medium10aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound		antineoplastic agent;
HIV protease inhibitor
betulinic acid[no description available]medium10hydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-HIV agent;
anti-inflammatory agent;
antimalarial;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
plant metabolite
arctigenin[no description available]medium10lignan
baicalin[no description available]medium10dihydroxyflavone;
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative		antiatherosclerotic agent;
antibacterial agent;
anticoronaviral agent;
antineoplastic agent;
antioxidant;
cardioprotective agent;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
ferroptosis inhibitor;
neuroprotective agent;
non-steroidal anti-inflammatory drug;
plant metabolite;
prodrug
plerixafor[no description available]medium10azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound		anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant
amprenavir[no description available]medium10carbamate ester;
sulfonamide;
tetrahydrofuryl ester		antiviral drug;
HIV protease inhibitor
oseltamivir[no description available]medium10acetamides;
amino acid ester;
cyclohexenecarboxylate ester;
primary amino compound		antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
environmental contaminant;
prodrug;
xenobiotic
epigallocatechin gallate[no description available]medium10flavans;
gallate ester;
polyphenol		antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose[no description available]medium10gallate ester;
galloyl beta-D-glucose		anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger
cephalotaxine[no description available]medium10benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
cyclic acetal;
enol ether;
organic heteropentacyclic compound;
secondary alcohol;
tertiary amino compound
desipramine hydrochloride[no description available]medium10hydrochloridedrug allergen
mefloquine hydrochloride[no description available]medium10hydrochloride
aloxistatin[no description available]medium10epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide		anticoronaviral agent;
cathepsin B inhibitor
prulifloxacin[no description available]medium10fluoroquinolone antibiotic;
quinolone antibiotic
telmisartan[no description available]medium10benzimidazoles;
biphenyls;
carboxybiphenyl		angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
bergenin[no description available]medium10trihydroxybenzoic acidmetabolite
zoledronic acid[no description available]medium101,1-bis(phosphonic acid);
imidazoles		bone density conservation agent
artemisinin[no description available]medium10organic peroxide;
sesquiterpene lactone		antimalarial;
plant metabolite
brinzolamide[no description available]medium10sulfonamide;
thienothiazine		antiglaucoma drug;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
dipropylacetamide[no description available]medium10fatty amidegeroprotector;
metabolite;
teratogenic agent
oxprenolol hydrochloride[no description available]medium10
opipramol hydrochloride[no description available]medium10
moroxydine[no description available]medium10biguanides
thioxolone[no description available]medium10benzoxathioleantiseborrheic
honokiol[no description available]medium10biphenyls
nobiletin[no description available]medium10methoxyflavoneantineoplastic agent;
plant metabolite
lycorine[no description available]medium10indolizidine alkaloidanticoronaviral agent;
antimalarial;
plant metabolite;
protein synthesis inhibitor
leupeptin[no description available]medium10aldehyde;
tripeptide		bacterial metabolite;
calpain inhibitor;
cathepsin B inhibitor;
EC 3.4.21.4 (trypsin) inhibitor;
serine protease inhibitor
calpeptin[no description available]medium10amino acid amide
fangchinoline[no description available]medium10aromatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle		anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite
maslinic acid[no description available]medium10dihydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
plant metabolite
atovaquone[no description available]medium10hydroxy-1,2-naphthoquinone
loganin[no description available]medium10beta-D-glucoside;
cyclopentapyran;
enoate ester;
iridoid monoterpenoid;
methyl ester;
monosaccharide derivative;
secondary alcohol		anti-inflammatory agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
EC 3.4.23.46 (memapsin 2) inhibitor;
neuroprotective agent;
plant metabolite
moexipril[no description available]medium10peptide
aucubin[no description available]medium10organic molecular entitymetabolite
catalpol[no description available]medium10organic molecular entitymetabolite
lekoptin[no description available]medium102-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile
n-methyladenosine[no description available]medium10methyladenosine
sivelestat[no description available]medium10N-acylglycine;
pivalate ester
pyronaridine[no description available]medium10aminoquinoline
geniposide[no description available]medium10terpene glycoside
daidzin[no description available]medium107-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative		plant metabolite
sophocarpine[no description available]medium10
marimastat[no description available]medium10hydroxamic acid;
secondary carboxamide		antineoplastic agent;
matrix metalloproteinase inhibitor
elacridar[no description available]medium10
celastrol[no description available]medium10monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine[no description available]medium10leucine derivative
vadimezan[no description available]medium10monocarboxylic acid;
xanthones		antineoplastic agent
e 64[no description available]medium10dicarboxylic acid monoamide;
epoxy monocarboxylic acid;
guanidines;
L-leucine derivative;
zwitterion		antimalarial;
antiparasitic agent;
protease inhibitor
umifenovir[no description available]medium10indolyl carboxylic acid
safinamide[no description available]medium10amino acid amide
ilomastat[no description available]medium10hydroxamic acid;
L-tryptophan derivative;
N-acyl-amino acid		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
EC 3.4.24.24 (gelatinase A) inhibitor;
neuroprotective agent
atazanavir[no description available]medium10carbohydrazideantiviral drug;
HIV protease inhibitor
vx 497[no description available]medium10
bcx 1812[no description available]medium103-hydroxy monocarboxylic acid;
acetamides;
cyclopentanols;
guanidines		antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
naproxen[no description available]medium10methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
olmesartan[no description available]medium10biphenylyltetrazoleangiotensin receptor antagonist;
antihypertensive agent
telbivudine[no description available]medium10pyrimidine 2'-deoxyribonucleosideantiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
celastrol methyl ester[no description available]medium10carboxylic ester
resiquimod[no description available]medium10imidazoquinoline
tanshinone ii a[no description available]medium10abietane diterpenoid
anacardic acid[no description available]medium10hydroxy monocarboxylic acid;
hydroxybenzoic acid		anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
apoptosis inducer;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
neuroprotective agent;
plant metabolite
migalastat[no description available]medium10piperidines
erlotinib[no description available]medium10aromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound		antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
limonin[no description available]medium10epoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound		inhibitor;
metabolite;
volatile oil component
scutellarin[no description available]medium10glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		antineoplastic agent;
proteasome inhibitor
etravirine[no description available]medium10aminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound		antiviral agent;
HIV-1 reverse transcriptase inhibitor
chelidonine[no description available]medium10alkaloid antibiotic;
alkaloid fundamental parent;
benzophenanthridine alkaloid
4-n-butylresorcinol[no description available]medium10resorcinols
darunavir[no description available]medium10carbamate ester;
furofuran;
sulfonamide		antiviral drug;
HIV protease inhibitor
dapivirine[no description available]medium10
nsc 74859[no description available]medium10amidobenzoic acid;
monohydroxybenzoic acid;
tosylate ester		STAT3 inhibitor
berbamine[no description available]medium10bisbenzylisoquinoline alkaloid;
isoquinolines
u-104[no description available]medium10
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one[no description available]medium10glycoside
bortezomib[no description available]medium10amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
ritonavir[no description available]medium101,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
tizoxanide[no description available]medium10salicylamides
arbutin[no description available]medium10beta-D-glucoside;
monosaccharide derivative		Escherichia coli metabolite;
plant metabolite
quinidine[no description available]medium10cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker
conessine[no description available]medium10steroid alkaloid;
tertiary amino compound		antibacterial agent;
antimalarial;
H3-receptor antagonist;
plant metabolite
saquinavir[no description available]medium10L-asparagine derivative;
quinolines		antiviral drug;
HIV protease inhibitor
abacavir[no description available]medium102,6-diaminopurinesantiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor
linezolid[no description available]medium10acetamides;
morpholines;
organofluorine compound;
oxazolidinone		antibacterial drug;
protein synthesis inhibitor
cephaelin[no description available]medium10pyridoisoquinoline
(-)-usnic acid[no description available]medium10usnic acidEC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
acetylleucyl-leucyl-norleucinal[no description available]medium10aldehyde;
tripeptide		cysteine protease inhibitor
resveratrol[no description available]medium10resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
tacrolimus[no description available]medium10macrolide lactambacterial metabolite;
immunosuppressive agent
lycopene[no description available]medium10acyclic caroteneantioxidant;
plant metabolite
zithromax[no description available]medium10macrolide antibioticantibacterial drug;
environmental contaminant;
xenobiotic
roflumilast[no description available]medium10aromatic ether;
benzamides;
chloropyridine;
cyclopropanes;
organofluorine compound		anti-asthmatic drug;
phosphodiesterase IV inhibitor
L-cycloserine[no description available]medium104-amino-1,2-oxazolidin-3-oneanti-HIV agent;
anticonvulsant;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
h 89[no description available]medium10N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
bevirimat[no description available]medium10dicarboxylic acid monoester;
monocarboxylic acid;
pentacyclic triterpenoid		HIV-1 maturation inhibitor;
metabolite
benzyloxycarbonylleucyl-leucyl-leucine aldehyde[no description available]medium10amino aldehyde;
carbamate ester;
tripeptide		proteasome inhibitor
tenofovir[no description available]medium10nucleoside analogue;
phosphonic acids		antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor
posaconazole[no description available]medium10aromatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles		trypanocidal drug
gw 257406x[no description available]medium10
shikonin[no description available]medium10hydroxy-1,4-naphthoquinone
4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide[no description available]medium10tropane alkaloid
cmx 001[no description available]medium10
amd 8664[no description available]medium10
bay 41-4109[no description available]medium10
bay 57-1293[no description available]medium10
2'-c-methylcytidine[no description available]medium10
isoxanthohumol[no description available]medium10flavanones
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide[no description available]medium10aromatic ether
mecarbinate[no description available]medium10
acetyl-aspartyl-glutamyl-valyl-aspartal[no description available]medium10tetrapeptideprotease inhibitor
octotropine methylbromide[no description available]medium10
mercaptopurine[no description available]medium10aryl thiol;
purines;
thiocarbonyl compound		anticoronaviral agent;
antimetabolite;
antineoplastic agent
jrf 12[no description available]medium10
3,4'-dihydroxyflavone[no description available]medium10
3-(3,4-dimethoxyphenyl)propenoic acid[no description available]medium10methoxycinnamic acid
isoferulic acid[no description available]medium10ferulic acidsantioxidant;
biomarker;
metabolite
cyclouridine[no description available]medium10
zucapsaicin[no description available]medium10methoxybenzenes;
phenols
nbd 556[no description available]medium10
thioguanine anhydrous[no description available]medium102-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent
4,5,6,7-tetrachloroindan-1,3-dione[no description available]medium10
srpin340[no description available]medium10
pr-619[no description available]medium10
p5091[no description available]medium10
trovirdine[no description available]medium10
fti 277[no description available]medium10
u 0126[no description available]medium10aryl sulfide;
dinitrile;
enamine;
substituted aniline		antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent
vicriviroc[no description available]medium10(trifluoromethyl)benzenes
telaprevir[no description available]medium10cyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines		antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic
orlistat[no description available]medium10beta-lactone;
carboxylic ester;
formamides;
L-leucine derivative		anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor
dasatinib[no description available]medium101,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
yya-021[no description available]medium10
sb 415286[no description available]medium10C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline		antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
sitagliptin[no description available]medium10triazolopyrazine;
trifluorobenzene		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic
tak-220[no description available]medium10
jtk-303[no description available]medium10aromatic ether;
monochlorobenzenes;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone		HIV-1 integrase inhibitor
nbd 557[no description available]medium10
5'-o-caffeoylquinic acid[no description available]medium10cinnamate ester;
cyclitol carboxylic acid		plant metabolite
luteolin-7-glucoside[no description available]medium10beta-D-glucoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		antioxidant;
plant metabolite
cyclosporine[no description available]medium10
harmine[no description available]medium10harmala alkaloidanti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite
eprosartan[no description available]medium10dicarboxylic acid;
imidazoles;
thiophenes		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
mycophenolate mofetil[no description available]medium10carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound		anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug
entacapone[no description available]medium102-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
amentoflavone[no description available]medium10biflavonoid;
hydroxyflavone;
ring assembly		angiogenesis inhibitor;
antiviral agent;
cathepsin B inhibitor;
P450 inhibitor;
plant metabolite
baicalein[no description available]medium10trihydroxyflavoneangiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger
genkwanin[no description available]medium10dihydroxyflavone;
monomethoxyflavone		metabolite
hyperoside[no description available]medium10beta-D-galactoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone		hepatoprotective agent;
plant metabolite
3-methylquercetin[no description available]medium107-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		anticoagulant;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite
kaempferide[no description available]medium107-hydroxyflavonol;
monomethoxyflavone;
trihydroxyflavone		antihypertensive agent;
metabolite
orientin[no description available]medium103'-hydroxyflavonoid;
C-glycosyl compound;
tetrahydroxyflavone		antioxidant;
metabolite
scutellarein[no description available]medium10tetrahydroxyflavonemetabolite
trans-2,3',4,5'-tetrahydroxystilbene[no description available]medium10stilbenoid
polydatin[no description available]medium10beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid		anti-arrhythmia drug;
antioxidant;
geroprotector;
hepatoprotective agent;
metabolite;
nephroprotective agent;
potassium channel modulator
chicoric acid[no description available]medium10organooxygen compoundgeroprotector;
HIV-1 integrase inhibitor
acteoside[no description available]medium10catechols;
cinnamate ester;
disaccharide derivative;
glycoside;
polyphenol		anti-inflammatory agent;
antibacterial agent;
antileishmanial agent;
neuroprotective agent;
plant metabolite
dorzolamide[no description available]medium10sulfonamide;
thiophenes		antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
topiramate[no description available]medium10cyclic ketal;
ketohexose derivative;
sulfamate ester		anticonvulsant;
sodium channel blocker
benzyloxycarbonyl-phe-ala-fluormethylketone[no description available]medium10
n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester[no description available]medium10carboxylic ester;
difluorobenzene;
dipeptide;
tert-butyl ester		EC 3.4.23.46 (memapsin 2) inhibitor
casticin[no description available]medium10dihydroxyflavone;
tetramethoxyflavone		apoptosis inducer;
plant metabolite
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one[no description available]medium10dihydroxyflavone;
monomethoxyflavone		antineoplastic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor
(E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside[no description available]medium10beta-D-glucoside;
resorcinols;
stilbenoid		anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
cyclooxygenase 2 inhibitor;
platelet aggregation inhibitor
tyrphostin ag 555[no description available]medium10
pd 151746[no description available]medium10
lisinopril[no description available]medium10dipeptideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
verteporfin[no description available]medium10
batimastat[no description available]medium10hydroxamic acid;
L-phenylalanine derivative;
organic sulfide;
secondary carboxamide;
thiophenes;
triamide		angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor
indinavir sulfate[no description available]medium10dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide		HIV protease inhibitor
solanesol[no description available]medium10nonaprenol;
primary alcohol		plant metabolite
pepstatin[no description available]medium10pentapeptide;
secondary carboxamide		bacterial metabolite;
EC 3.4.23.* (aspartic endopeptidase) inhibitor
l 685458[no description available]medium10carbamate ester;
monocarboxylic acid amide;
peptide;
secondary alcohol		EC 3.4.23.46 (memapsin 2) inhibitor;
peptidomimetic
bms 806[no description available]medium10
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone[no description available]medium10
tulobuterol hydrochloride[no description available]medium10organic molecular entity
salubrinal[no description available]medium10aminal;
organochlorine compound;
quinolines;
secondary carboxamide;
thioureas
germacrone[no description available]medium10germacrane sesquiterpenoid;
olefinic compound		androgen antagonist;
anti-inflammatory agent;
antifeedant;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antioxidant;
antitussive;
antiviral agent;
apoptosis inducer;
autophagy inducer;
hepatoprotective agent;
insecticide;
neuroprotective agent;
plant metabolite;
volatile oil component
(2e,4e,6e,10e)-3,7,11,15-tetramethyl-2,4,6,10,14-hexadecapentaenoic acid[no description available]medium10
lithospermic acid[no description available]medium10
laq824[no description available]medium10
ekb 569[no description available]medium10aminoquinoline;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile		protein kinase inhibitor
rilpivirine[no description available]medium10aminopyrimidine;
nitrile		EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor
(1Ar,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one[no description available]medium10germacranolide
4,5-di-O-caffeoylquinic acid[no description available]medium10quinic acid
indigo carmine[no description available]medium10
artesunate[no description available]medium10artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid		antimalarial;
antineoplastic agent;
ferroptosis inducer
(3S,6S,9S,12R)-3-[(2S)-Butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone[no description available]medium10oligopeptide
vildagliptin[no description available]medium10amino acid amide
belinostat[no description available]medium10hydroxamic acid;
olefinic compound;
sulfonamide		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
hdac-42[no description available]medium10amidobenzoic acid
chlorhexidine[no description available]medium10biguanides;
monochlorobenzenes		antibacterial agent;
antiinfective agent
gs-7340[no description available]medium106-aminopurines;
ether;
isopropyl ester;
L-alanine derivative;
phosphoramidate ester		antiviral drug;
HIV-1 reverse transcriptase inhibitor;
prodrug
iniparib[no description available]medium10carbonyl compound;
organohalogen compound
n-(2-amino-5-fluorobenzyl)-4-(n-(pyridine-3-acrylyl)aminomethyl)benzamide[no description available]medium10
pri-2205[no description available]medium10
mk 0752[no description available]medium10
givinostat[no description available]medium10carbamate ester
pd 144418[no description available]medium10
bicyclol[no description available]medium10
midostaurin[no description available]medium10benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound		antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor
ly 450139[no description available]medium10peptide
mocetinostat[no description available]medium10aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline		antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent
rivaroxaban[no description available]medium10aromatic amide;
lactam;
monocarboxylic acid amide;
morpholines;
organochlorine compound;
oxazolidinone;
thiophenes		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
sb 3ct compound[no description available]medium10aromatic ether
ginsenoside rb1[no description available]medium10ginsenoside;
glycoside;
tetracyclic triterpenoid		anti-inflammatory drug;
anti-obesity agent;
apoptosis inhibitor;
neuroprotective agent;
plant metabolite;
radical scavenger
rucaparib[no description available]medium10azepinoindole;
caprolactams;
organofluorine compound;
secondary amino compound		antineoplastic agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-n-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6s)-[no description available]medium10organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
cetilistat[no description available]medium10benzoxazine
ym 201636[no description available]medium10aromatic amide
linagliptin[no description available]medium10aminopiperidine;
quinazolines		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
azd 6244[no description available]medium10benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
odanacatib[no description available]medium10
apilimod[no description available]medium10
apixaban[no description available]medium10aromatic ether;
lactam;
piperidones;
pyrazolopyridine		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
betrixaban[no description available]medium10benzamides;
guanidines;
monochloropyridine;
monomethoxybenzene;
secondary carboxamide		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
edoxaban[no description available]medium10chloropyridine;
monocarboxylic acid amide;
tertiary amino compound;
thiazolopyridine		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor;
platelet aggregation inhibitor
saracatinib[no description available]medium10aromatic 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
n-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-(2-((((1,1-dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-2-carboxamide[no description available]medium10tripeptide;
ureas		antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic
ly 411575[no description available]medium10dibenzoazepine;
difluorobenzene;
lactam;
secondary alcohol		EC 3.4.23.46 (memapsin 2) inhibitor
galidesivir[no description available]medium10
PB28[no description available]medium10aromatic ether;
piperazines;
tetralins		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist
degrasyn[no description available]medium10
epoxomicin[no description available]medium10morpholines;
tripeptide		proteasome inhibitor
bms 477118[no description available]medium10adamantanes;
azabicycloalkane;
monocarboxylic acid amide;
nitrile;
tertiary alcohol		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
pha 680632[no description available]medium10
tmc 353121[no description available]medium10
amd 070[no description available]medium10aminoquinoline
danoprevir[no description available]medium10
bms-626529[no description available]medium10
bms-663068[no description available]medium10
amenamevir[no description available]medium10
vx 765[no description available]medium10dipeptide
Dihydrotanshinone I[no description available]medium10abietane diterpenoidanticoronaviral agent
alogliptin[no description available]medium10nitrile;
piperidines;
primary amino compound;
pyrimidines		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent
fr 180204[no description available]medium10pyrazoles;
ring assembly
quisinostat[no description available]medium10indoles
carfilzomib[no description available]medium10epoxide;
morpholines;
tetrapeptide		antineoplastic agent;
proteasome inhibitor
hcv 796[no description available]medium10
resminostat[no description available]medium10
zk 756326[no description available]medium10aromatic ether
balapiravir[no description available]medium10
trametinib[no description available]medium10acetamides;
aromatic amine;
cyclopropanes;
organofluorine compound;
organoiodine compound;
pyridopyrimidine;
ring assembly		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector
deoxyarbutin[no description available]medium10
abexinostat[no description available]medium10benzofurans
silvestrol[no description available]medium10dioxanes;
ether;
methyl ester;
organic heterotricyclic compound		antineoplastic agent;
metabolite
narlaprevir[no description available]medium10azabicyclohexane;
cyclopropanes;
pyrrolidinecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide;
ureas		anticoronaviral agent;
antiviral drug;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
hepatitis C protease inhibitor
teneligliptin[no description available]medium10amino acid amide
dextrothyroxine[no description available]medium10
veliparib[no description available]medium10benzimidazolesEC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
pf 03491390[no description available]medium10
alloin[no description available]medium10anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols		laxative;
metabolite
mdv 3100[no description available]medium10(trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound		androgen antagonist;
antineoplastic agent
bms-650032[no description available]medium10oligopeptide
rg 7128[no description available]medium10
oritavancin[no description available]medium10disaccharide derivative;
glycopeptide;
semisynthetic derivative		antibacterial drug;
antimicrobial agent
pevonedistat[no description available]medium10cyclopentanols;
indanes;
pyrrolopyrimidine;
secondary amino compound;
sulfamidate		antineoplastic agent;
apoptosis inducer
uk 453,061[no description available]medium10aromatic ether
N-(2-aminophenyl)-2-pyrazinecarboxamide[no description available]medium10aromatic amide
tegobuvir[no description available]medium10
pf-429242[no description available]medium10
olaparib[no description available]medium10cyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines		antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
cx 4945[no description available]medium10
pci 34051[no description available]medium10indolecarboxamide
lomibuvir[no description available]medium10thiophenecarboxylic acid
delanzomib[no description available]medium10C-terminal boronic acid peptide;
phenylpyridine;
secondary alcohol;
threonine derivative		antineoplastic agent;
apoptosis inducer;
proteasome inhibitor
pitavastatin(1-)[no description available]medium10hydroxy monocarboxylic acid anion
GRL-0617[no description available]medium10benzamides;
naphthalenes;
secondary carboxamide;
substituted aniline		anticoronaviral agent;
protease inhibitor
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester[no description available]medium10carbamate ester
niraparib[no description available]medium102-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamideantineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
radiosensitizing agent
jzl 184[no description available]medium10benzodioxoles
gsk 650394[no description available]medium10phenylpyridine
oprozomib[no description available]medium10
az 960[no description available]medium10
golgicide a[no description available]medium10diastereoisomeric mixturecis-Golgi ArfGEF GBF inhibitor
cobicistat[no description available]medium101,3-thiazoles;
carbamate ester;
monocarboxylic acid amide;
morpholines;
ureas		P450 inhibitor
bms-790052[no description available]medium10biphenyls;
carbamate ester;
carboxamide;
imidazoles;
valine derivative		antiviral drug;
nonstructural protein 5A inhibitor
ixazomib[no description available]medium10benzamides;
boronic acids;
dichlorobenzene;
glycine derivative		antineoplastic agent;
apoptosis inducer;
drug metabolite;
orphan drug;
proteasome inhibitor
ucph 101[no description available]medium10
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine[no description available]medium10aryl sulfide;
thienopyrimidine
baricitinib[no description available]medium10azetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide		anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent
KOM70144[no description available]medium10acetamides;
benzamides;
naphthalenes;
secondary carboxamide		anticoronaviral agent;
protease inhibitor
e-52862[no description available]medium10
ly2811376[no description available]medium10
anagliptin[no description available]medium10amino acid amide
gardiquimod[no description available]medium10
grazoprevir[no description available]medium10aromatic ether;
azamacrocycle;
carbamate ester;
cyclopropanes;
lactam;
N-sulfonylcarboxamide;
quinoxaline derivative		antiviral drug;
hepatitis C protease inhibitor;
hepatoprotective agent
abt-450[no description available]medium10
letermovir[no description available]medium10
sofosbuvir[no description available]medium10isopropyl ester;
L-alanyl ester;
nucleotide conjugate;
organofluorine compound;
phosphoramidate ester		antiviral drug;
hepatitis C protease inhibitor;
prodrug
5-(4-amino-1-propan-2-yl-3-pyrazolo[3,4-d]pyrimidinyl)-1,3-benzoxazol-2-amine[no description available]medium10benzoxazole
blz 945[no description available]medium10
azd3839[no description available]medium10
pf 3084014[no description available]medium10
unc 0638[no description available]medium10quinazolines
gs-9620[no description available]medium10
n-((5-(methanesulfonyl)pyridin-2-yl)methyl)-6-methyl-5-(1-methyl-1h-pyrazol-5-yl)-2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihydropyridine-3-carboxamide[no description available]medium10
bms 708163[no description available]medium10oxadiazole;
ring assembly
jq1 compound[no description available]medium10carboxylic 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
1-(5-((2,4-difluorophenyl)thio)-4-nitrothiophen-2-yl)ethanone[no description available]medium10
gsk525762a[no description available]medium10benzodiazepine
ML240[no description available]medium10aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound		antineoplastic agent
birinapant[no description available]medium10dipeptide
ly2886721[no description available]medium10
nms-p118[no description available]medium10
tubastatin a[no description available]medium10hydroxamic acid;
pyridoindole;
tertiary amino compound		EC 3.5.1.98 (histone deacetylase) inhibitor
pracinostat[no description available]medium10benzimidazole;
hydroxamic acid;
olefinic compound;
tertiary amino compound		antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
spautin-1[no description available]medium10
ldn 57444[no description available]medium10
gsk1210151a[no description available]medium10imidazoquinoline
i-bet726[no description available]medium10
acy-1215[no description available]medium10pyrimidinecarboxylic acid
cudc-907[no description available]medium10
mobic[no description available]medium101,3-thiazoles;
benzothiazine;
monocarboxylic acid amide		analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
tipranavir[no description available]medium10sulfonamideantiviral drug;
HIV protease inhibitor
tasquinimod[no description available]medium10
gsk1265744[no description available]medium10difluorobenzene;
monocarboxylic acid amide;
organic heterotricyclic compound;
secondary carboxamide		HIV-1 integrase inhibitor
abt-267[no description available]medium10aromatic amide;
carbamate ester;
dipeptide;
pyrrolidines		antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor
abt-333[no description available]medium10aromatic ether;
naphthalenes;
pyrimidone;
sulfonamide		antiviral drug;
nonnucleoside hepatitis C virus polymerase inhibitor
rgfp966[no description available]medium10
rg2833[no description available]medium10
pi-1840[no description available]medium10
acy-738[no description available]medium10
pelabresib[no description available]medium10monochlorobenzenes;
organic heterotricyclic compound;
primary carboxamide		antineoplastic agent;
bromodomain-containing protein 4 inhibitor
gs-5806[no description available]medium10
doravirine[no description available]medium10
gn6958[no description available]medium10
vx-787[no description available]medium10
ledipasvir[no description available]medium10azaspiro 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]medium10carbamate ester;
ether;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organic heteropentacyclic compound;
ring assembly		antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor
g007-lk[no description available]medium10
4-((1-butyl-3-phenylureido)methyl)-n-hydroxybenzamide[no description available]medium10
selinexor[no description available]medium10
verdinexor[no description available]medium10
cb-839[no description available]medium10
mk-8742[no description available]medium10carbamate ester;
imidazoles;
L-valine derivative;
N-acylpyrrolidine;
organic heterotetracyclic compound;
ring assembly		antiviral drug;
hepatitis C virus nonstructural protein 5A inhibitor;
hepatoprotective agent
atglistatin[no description available]medium10
xen445[no description available]medium10
santacruzamate a[no description available]medium10organonitrogen compound;
organooxygen compound
ldc4297[no description available]medium10aromatic ether;
piperidines;
pyrazoles;
pyrazolotriazine;
secondary amino compound		antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
enasidenib[no description available]medium101,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
s 8932[no description available]medium10aromatic amine;
C-nucleoside;
carboxylic ester;
nitrile;
phosphoramidate ester;
pyrrolotriazine		anticoronaviral agent;
antiviral drug;
prodrug
entecavir[no description available]medium102-aminopurines;
oxopurine;
primary alcohol;
secondary alcohol		antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
acyclovir[no description available]medium102-aminopurines;
oxopurine		antimetabolite;
antiviral drug
nu 1025[no description available]medium10phenols;
quinazolines		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
didanosine[no description available]medium10purine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor;
geroprotector;
HIV-1 reverse transcriptase inhibitor
ganciclovir[no description available]medium102-aminopurines;
oxopurine		antiinfective agent;
antiviral drug
valacyclovir[no description available]medium10L-valyl esterantiviral drug
penciclovir[no description available]medium102-aminopurines;
propane-1,3-diols		antiviral drug
4-hydroxyquinazoline[no description available]medium10quinazolines
tegaserod[no description available]medium10carboxamidine;
guanidines;
hydrazines;
indoles		gastrointestinal drug;
serotonergic agonist
norclozapine[no description available]medium10dibenzodiazepine;
organochlorine compound;
piperazines		delta-opioid receptor agonist;
metabolite;
serotonergic antagonist
pemetrexed[no description available]medium10N-acyl-L-glutamic acid;
pyrrolopyrimidine		antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
EC 2.1.1.45 (thymidylate synthase) inhibitor;
EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor
aprepitant[no description available]medium10(trifluoromethyl)benzenes;
cyclic acetal;
morpholines;
triazoles		antidepressant;
antiemetic;
neurokinin-1 receptor antagonist;
peripheral nervous system drug;
substance P receptor antagonist
azilsartan[no description available]medium101,2,4-oxadiazole;
aromatic ether;
benzimidazolecarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent
hesperadin[no description available]medium10
6-bromoindirubin-3'-acetoxime[no description available]medium10
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide[no description available]medium10catechols;
hydrazide;
hydrazone;
naphthols		EC 3.6.5.5 (dynamin GTPase) inhibitor
XL413[no description available]medium10benzofuropyrimidine;
organochlorine compound;
pyrrolidines		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
me0328[no description available]medium10
nvp-tnks656[no description available]medium10
cefotaxime[no description available]medium101,3-thiazoles;
cephalosporin;
oxime O-ether		antibacterial drug;
drug allergen
albendazole[no description available]low00aryl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator
astemizole[no description available]low00benzimidazoles;
piperidines		anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist
cgp 12177[no description available]low00aromatic ether;
benzimidazoles;
secondary alcohol;
secondary amino compound		beta-adrenergic antagonist
clemizole[no description available]low00benzimidazoles;
monochlorobenzenes;
pyrrolidines		histamine antagonist
droperidol[no description available]low00aromatic ketone;
benzimidazoles;
organofluorine compound		anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
emedastine[no description available]low00benzimidazolesanti-allergic agent;
antipruritic drug;
H1-receptor antagonist
fenbendazole[no description available]low00aryl sulfide;
benzimidazoles;
carbamate ester		antinematodal drug
lansoprazole[no description available]low00benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
mebendazole[no description available]low00aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator
nocodazole[no description available]low00aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes		antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator
ns 1619[no description available]low00(trifluoromethyl)benzenes;
benzimidazoles;
phenols		potassium channel opener
oxatomide[no description available]low00benzimidazoles;
diarylmethane;
N-alkylpiperazine		anti-allergic agent;
anti-inflammatory agent;
geroprotector;
H1-receptor antagonist;
serotonergic antagonist
oxibendazole[no description available]low00benzimidazoles;
carbamate ester
pantoprazole[no description available]low00aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic
rabeprazole[no description available]low00benzimidazoles;
pyridines;
sulfoxide		anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
thiabendazole[no description available]low001,3-thiazoles;
benzimidazole fungicide;
benzimidazoles		antifungal agrochemical;
antinematodal drug
2-methylbenzimidazole[no description available]low00benzimidazoles
bendazole[no description available]low00benzimidazoles
2-aminobenzimidazole[no description available]low00benzimidazolesmarine xenobiotic metabolite
pimozide[no description available]low00benzimidazoles;
heteroarylpiperidine;
organofluorine compound		antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
fuberidazole[no description available]low00benzimidazole fungicide;
benzimidazoles;
furans		antifungal agrochemical
2-Butyl-1H-benzimidazole[no description available]low00benzimidazoles
lobendazole[no description available]low00benzimidazoles;
carbamate ester
carbendazim[no description available]low00benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		antifungal agrochemical;
antinematodal drug;
metabolite;
microtubule-destabilising agent
parbendazole[no description available]low00benzimidazoles;
carbamate ester
benomyl[no description available]low00aromatic amide;
benzimidazole fungicide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester		acaricide;
anthelminthic drug;
antifungal agrochemical;
microtubule-destabilising agent;
tubulin modulator
ensulizole[no description available]low00benzimidazoles
flubendazole[no description available]low00aromatic ketone;
benzimidazoles;
carbamate ester;
organofluorine compound		antinematodal drug;
teratogenic agent
ciclobendazole[no description available]low00benzimidazoles;
carbamate ester
oxfendazole[no description available]low00benzimidazoles;
carbamate ester;
sulfoxide		antinematodal drug
liarozole[no description available]low00benzimidazoles
bendamustine[no description available]low00benzimidazoles
mizolastine[no description available]low00benzimidazoles
cgs 9343b[no description available]low00benzimidazoles
chlormidazole[no description available]low00benzimidazoles
2-amino-1-methylbenzimidazole[no description available]low00benzimidazoles
2-(1H-benzimidazol-2-yl)aniline[no description available]low00benzimidazoles;
primary arylamine;
substituted aniline		geroprotector
5-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one[no description available]low00benzimidazoles
5-hydroxythiabendazole[no description available]low00benzimidazoles
5-hydroxymethylomeprazole[no description available]low00aromatic ether;
benzimidazoles;
pyridines;
sulfoxide		drug metabolite
omeprazole magnesium[no description available]low00benzimidazoles;
sulfoxide
omeprazole sulfone[no description available]low00benzimidazoles;
sulfoxide
omeprazole sulfide[no description available]low00benzimidazoles
desmethylastemizole[no description available]low00benzimidazoles
bilastine[no description available]low00benzimidazoles
dabigatran etexilate[no description available]low00aromatic amide;
benzimidazoles;
beta-alanine derivative;
carboxamidine;
carboxylic ester;
pyridines		anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug
ilaprazole[no description available]low00benzimidazoles;
sulfoxide
dabigatran[no description available]low00aromatic amide;
benzimidazoles;
beta-alanine derivative;
carboxamidine;
pyridines		anticoagulant;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
EC 3.4.21.5 (thrombin) inhibitor
N-butyl-1H-benzimidazol-2-amine[no description available]low00benzimidazoles
3,4-dihydro-2H-benzo[4,5]imidazo[2,1-b][1,3]thiazin-3-ol[no description available]low00benzimidazoles
1-methyl-3-phenylpyrazino[1,2-a]benzimidazole[no description available]low00benzimidazoles
2-methyl-1H-pyrimido[1,2-a]benzimidazol-4-one[no description available]low00benzimidazoles
6-methyl-2-[(4-nitrophenyl)methylthio]-1H-benzimidazole[no description available]low00benzimidazoles
1-(phenylmethyl)benzimidazole[no description available]low00benzimidazoles
2-[[[2-methyl-1-(phenylmethyl)-5-benzimidazolyl]amino]methyl]phenol[no description available]low00benzimidazoles
2-(1H-benzimidazol-2-ylthio)-1-thiophen-2-ylethanone[no description available]low00benzimidazoles
2-(2-phenoxyethylsulfonyl)-1H-benzimidazole[no description available]low00benzimidazoles;
sulfoxide
2-[[(6-bromo-1H-benzimidazol-2-yl)thio]methyl]-1-methylbenzimidazole[no description available]low00benzimidazoles
4-oxo-10H-pyrimido[1,2-a]benzimidazole-3-carboxylic acid ethyl ester[no description available]low00benzimidazoles
2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide[no description available]low00benzimidazoles
LSM-19079[no description available]low00benzimidazoles
1-(1-benzimidazolyl)-3-(1-cyclohex-3-enylmethoxy)-2-propanol[no description available]low00benzimidazoles
N-(3H-benzimidazol-5-yl)-2-furancarboxamide[no description available]low00benzimidazoles
2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]acetic acid methyl ester[no description available]low00benzimidazoles
N-[1-[(4-methylphenyl)methyl]-2-benzimidazolyl]-2-furancarboxamide[no description available]low00benzimidazoles
11-[2-(4-morpholinyl)ethylamino]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile[no description available]low00benzimidazoles
2-(1-benzimidazolylmethyl)-5-[(4-chlorophenyl)methylthio]-1,3,4-oxadiazole[no description available]low00benzimidazoles
N-[2-(3-acetamidophenyl)-3H-benzimidazol-5-yl]acetamide[no description available]low00benzimidazoles
N-[1-[2-(2-chlorophenoxy)ethyl]-2-benzimidazolyl]acetamide[no description available]low00benzimidazoles
N-[1-(2-methoxyphenyl)-5-benzimidazolyl]benzenesulfonamide[no description available]low00benzimidazoles
2-[2-(ethylthio)-1-benzimidazolyl]-1-(1-piperidinyl)ethanone[no description available]low00benzimidazoles
2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide[no description available]low00benzimidazoles
2-(beta-D-glucosyl)benzimidazole[no description available]low00benzimidazoles;
C-glycosyl compound
N-[1-(1-hexyl-2-benzimidazolyl)ethyl]-2-furancarboxamide[no description available]low00benzimidazoles
2-ethyl-1-[(2-methoxyphenyl)methyl]benzimidazole[no description available]low00benzimidazoles
2-(4-methoxyphenyl)-1-(2-methylprop-2-enyl)benzimidazole[no description available]low00benzimidazoles
2-[[(1-propan-2-yl-2-benzimidazolyl)amino]methyl]-6-prop-2-enylphenol[no description available]low00benzimidazoles
4-(1H-benzimidazol-2-ylmethylthio)-2-methylbenzofuro[3,2-d]pyrimidine[no description available]low00benzimidazoles
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)pentanamide[no description available]low00benzimidazoles
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)butanamide[no description available]low00benzimidazoles
N-[2-(2-benzamidoethyl)-1-methyl-5-benzimidazolyl]-2-furancarboxamide[no description available]low00benzimidazoles
3-(1-benzimidazolylmethyl)-6-[(4-methoxyphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole[no description available]low00benzimidazoles;
triazolothiadiazole
2-methoxy-1-(1-methyl-2-benzimidazolyl)-1-phenylethanamine[no description available]low00benzimidazoles
N2-(1H-benzimidazol-2-yl)benzene-1,2-diamine[no description available]low00benzimidazoles
2-[(2-ethoxy-2-oxoethyl)thio]-1-benzimidazolecarboxylic acid ethyl ester[no description available]low00benzimidazoles
6-methyl-2-(trifluoromethyl)-3,5-dihydroimidazo[4,5-f]benzimidazole[no description available]low00benzimidazoles
3,4-dimethyl-N-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-sulfanylidenemethyl]benzamide[no description available]low00benzimidazoles
4-[1-[(3-methoxy-4-methylphenyl)methyl]-2-benzimidazolyl]-1,2,5-oxadiazol-3-amine[no description available]low00benzimidazoles
1-ethyl-2-[[(1-methyl-2-benzimidazolyl)thio]methyl]benzimidazole[no description available]low00benzimidazoles
2,6-bis(benzimidazol-2-yl)pyridine[no description available]low00benzimidazoles
N,N,2-trimethyl-1-phenyl-5-benzimidazolesulfonamide[no description available]low00benzimidazoles
4-[2-(1-methyl-2-benzimidazolyl)ethyl]aniline[no description available]low00benzimidazoles
5,6-dimethyl-2-[2-(1-pyrrolidinyl)ethylthio]-1H-benzimidazole[no description available]low00benzimidazoles
2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole[no description available]low00benzimidazoles
4-(1-ethyl-2-benzimidazolyl)aniline[no description available]low00benzimidazoles
3-(2-phenoxyethyl)-1H-benzimidazole-2-thione[no description available]low00benzimidazoles
N-[1-(4-methylphenyl)-5-benzimidazolyl]acetamide[no description available]low00benzimidazoles
2-(1H-benzimidazol-2-ylthio)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide[no description available]low00benzimidazoles
4-[(1H-benzimidazol-2-ylthio)methyl]-2-thiazolamine[no description available]low00benzimidazoles
3-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]-1H-benzimidazole-2-thione[no description available]low00benzimidazoles
4-methyl-N-[1-[2-(1-pyrrolidinyl)ethyl]-2-benzimidazolyl]benzamide[no description available]low00benzimidazoles
1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole[no description available]low00benzimidazoles
2-(2,5-dimethylphenyl)-3H-benzimidazol-5-amine[no description available]low00benzimidazoles
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine)[no description available]low00benzimidazoles
N-(2-furanylmethyl)-1-(4-methoxyphenyl)-5-benzimidazolamine[no description available]low00benzimidazoles
N-(1-propyl-5-benzimidazolyl)-2-thiophenecarboxamide[no description available]low00benzimidazoles
N-(1-tert-butyl-5-benzimidazolyl)-2-thiophenecarboxamide[no description available]low00benzimidazoles
2-(3-methyl-2-oxo-1-benzimidazolyl)acetonitrile[no description available]low00benzimidazoles
6-(1H-benzimidazol-2-yl)-2-methyl-1H-benzimidazole[no description available]low00benzimidazoles
1-[2-(2-chlorophenoxy)ethyl]benzimidazole[no description available]low00benzimidazoles
1-ethyl-N-[(4-methoxyphenyl)methyl]-5-benzimidazolamine[no description available]low00benzimidazoles
5-(1-methyl-2-benzimidazolyl)-2-thiophenecarboxaldehyde[no description available]low00benzimidazoles
2-(1H-benzimidazol-2-ylmethyl)benzene-1,4-diol[no description available]low00benzimidazoles
1-[(3-methylphenyl)methyl]benzimidazole[no description available]low00benzimidazoles
1-(2-methylpropyl)-2-thiophen-2-ylbenzimidazole[no description available]low00benzimidazoles
N-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-2-benzofurancarboxamide[no description available]low00benzimidazoles
N-(2-ethoxyphenyl)-1H-benzimidazol-2-amine[no description available]low00benzimidazoles
N-cycloheptyl-2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetamide[no description available]low00benzimidazoles
2-methyl-N-[2-[1-[2-(4-methylphenoxy)ethyl]-2-benzimidazolyl]ethyl]propanamide[no description available]low00benzimidazoles
N-(1-tert-butyl-5-benzimidazolyl)-3,4,5-trimethoxybenzamide[no description available]low00benzimidazoles
N-[2-(2-pyridinyl)-3H-benzimidazol-5-yl]cyclohexanecarboxamide[no description available]low00benzimidazoles
N-[2-(3-pyridinyl)-3H-benzimidazol-5-yl]-2-furancarboxamide[no description available]low00benzimidazoles
1-(4-morpholinyl)-2-[2-(phenylmethylthio)-1-benzimidazolyl]ethanone[no description available]low00benzimidazoles
2-ethyl-N-[1-[2-(1-piperidinyl)ethyl]-2-benzimidazolyl]-3-pyrazolecarboxamide[no description available]low00benzimidazoles
4-[[2-(phenylmethyl)-1-benzimidazolyl]sulfonyl]morpholine[no description available]low00benzimidazoles
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromophenoxy)acetamide[no description available]low00benzimidazoles
N-[(3-methoxyphenyl)methyl]-1-propyl-5-benzimidazolamine[no description available]low00benzimidazoles
5-(2,3-dihydroindol-1-ylsulfonyl)-1,3-diethyl-2-benzimidazolone[no description available]low00benzimidazoles
N-(2-fluorophenyl)-2-[2-(4-thiazolyl)-1-benzimidazolyl]acetamide[no description available]low00benzimidazoles
N-[[4-(diethylamino)phenyl]methyl]-1-[2-(1-piperidinyl)ethyl]-2-benzimidazolamine[no description available]low00benzimidazoles
N-[[5-(1H-benzimidazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-5-chloro-2-methoxybenzamide[no description available]low00benzimidazoles
5,6-dimethyl-2-[1-[[1-(phenylmethyl)-5-tetrazolyl]methyl]-4-piperidinyl]-1H-benzimidazole[no description available]low00benzimidazoles
2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide[no description available]low00benzimidazoles
2-[[[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]methyl]benzonitrile[no description available]low00benzimidazoles
2-(2-chloro-3-pyridinyl)-1-prop-2-enylbenzimidazole[no description available]low00benzimidazoles
6-(4-methyl-1-piperazinyl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole[no description available]low00benzimidazoles
2-(6-chloro-3-pyridinyl)-1H-benzimidazole[no description available]low00benzimidazoles
4-[1-[(3-methoxyphenyl)methyl]-2-benzimidazolyl]-1,2,5-oxadiazol-3-amine[no description available]low00benzimidazoles
11-[2-(diethylamino)ethylamino]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile[no description available]low00benzimidazoles
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dinitrobenzamide[no description available]low00benzimidazoles
2-[[2-(2-methylphenoxy)ethylthio]methyl]-1H-benzimidazole[no description available]low00benzimidazoles
N-[[5-(1H-benzimidazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-2,6-dimethoxybenzamide[no description available]low00benzimidazoles
3-(1H-benzimidazol-2-yl)-N-(3-pyridinylmethyl)aniline[no description available]low00benzimidazoles
3-[3-[[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]thio]propyl]-1H-benzimidazol-2-one[no description available]low00benzimidazoles
2-[[6-(butylsulfamoyl)-1H-benzimidazol-2-yl]thio]-N-(2-chlorophenyl)acetamide[no description available]low00benzimidazoles
1-[4-(1H-benzimidazol-2-yl)phenyl]-3-[3-(4-morpholinyl)propyl]thiourea[no description available]low00benzimidazoles
2-(1H-benzimidazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone[no description available]low00benzimidazoles
N-[4-(1H-benzimidazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide[no description available]low00benzimidazoles
N-[2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenyl-2-benzimidazol-3-iumyl]ethenyl]-N-methylaniline[no description available]low00benzimidazoles
1-(2-chlorophenyl)-3-[[(1-ethyl-2-methyl-5-benzimidazolyl)-oxomethyl]amino]thiourea[no description available]low00benzimidazoles
1-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-3-ethylthiourea[no description available]low00benzimidazoles
2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-(2-methyl-1H-indol-3-yl)ethanone[no description available]low00benzimidazoles
2-[(6-chloro-1H-benzimidazol-2-yl)thio]-N-(2,3-dihydro-1H-inden-5-yl)acetamide[no description available]low00benzimidazoles
N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide[no description available]low00benzimidazoles
N-(1H-benzimidazol-2-yl)-2-methylsulfonylbenzamide[no description available]low00benzimidazoles
1H-benzimidazole-5,6-diamine[no description available]low00benzimidazoles
N-(4-methylphenyl)-5-nitro-4-spiro[benzimidazole-2,1'-cyclohexane]amine[no description available]low00benzimidazoles
1-(2-chlorophenoxy)-3-(2-methyl-1-benzimidazolyl)-2-propanol[no description available]low00benzimidazoles
2-phenyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazol-4-one[no description available]low00benzimidazoles
2-[[(1-butyl-2-benzimidazolyl)amino]methyl]phenol[no description available]low00benzimidazoles
2,2'-[3-(2-methoxyphenyl)-1,2-propanediyl]bis(1H-benzimidazole)[no description available]low00benzimidazoles
N-(1-butyl-2-benzimidazolyl)cyclohexanecarboxamide[no description available]low00benzimidazoles
1-azepanyl-[2-(phenylmethyl)-1-benzimidazolyl]methanone[no description available]low00benzimidazoles
[1-[3-(4-methylphenoxy)propyl]-2-benzimidazolyl]methanol[no description available]low00benzimidazoles
1-(2-methoxyethyl)-2-[(4-methoxyphenoxy)methyl]benzimidazole[no description available]low00benzimidazoles
4H-[1,3]thiazino[3,2-a]benzimidazol-4-ol[no description available]low00benzimidazoles
3-[5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide[no description available]low00benzimidazoles
N-(1,1-dioxo-3-thiolanyl)-N-methyl-2-[[1-(2-phenylethyl)-2-benzimidazolyl]thio]acetamide[no description available]low00benzimidazoles
7-[[[1-(3-methylphenyl)-2-benzimidazolyl]thio]methyl]-5-thiazolo[3,2-a]pyrimidinone[no description available]low00benzimidazoles
2-(4-cyanophenoxy)-N-(2-methyl-1-phenyl-5-benzimidazolyl)acetamide[no description available]low00benzimidazoles
5-hydroxybenzimidazole[no description available]low00benzimidazoles;
phenols		bacterial metabolite;
human metabolite;
rat metabolite
2-[8-(6-amino-1H-benzimidazol-2-yl)octyl]-3H-benzimidazol-5-amine[no description available]low00benzimidazoles
2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole[no description available]low00benzimidazoles
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-ethoxy-3-nitrobenzamide[no description available]low00benzimidazoles
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-4-nitro-3-pyrazolecarboxamide[no description available]low00benzimidazoles
N-[2-[1-methyl-5-[[(4-methylphenyl)-oxomethyl]amino]-2-benzimidazolyl]ethyl]-2-furancarboxamide[no description available]low00benzimidazoles
2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetonitrile[no description available]low00benzimidazoles
1-cyclopentyl-1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-3-(2-oxolanylmethyl)thiourea[no description available]low00benzimidazoles
2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]-N-(4-methyl-2-thiazolyl)acetamide[no description available]low00benzimidazoles
1-(2-methoxyethyl)-2-[(4-methylphenoxy)methyl]benzimidazole[no description available]low00benzimidazoles
3,4,5-trimethoxy-N-[2-(1-methyl-2-benzimidazolyl)ethyl]benzamide[no description available]low00benzimidazoles
1-(2,4-difluorophenyl)-2-methyl-N-[2-(4-morpholinyl)ethyl]-5-benzimidazolecarboxamide[no description available]low00benzimidazoles
[1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone[no description available]low00benzimidazoles
2-[(1-acetyl-2-benzimidazolyl)thio]-N-(2-methoxyphenyl)acetamide[no description available]low00benzimidazoles
N-[[4-(dimethylamino)phenyl]methyl]-1-ethyl-5-benzimidazolamine[no description available]low00benzimidazoles
2-[(4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methylthio]propanoic acid[no description available]low00benzimidazoles
2-[2-(2-chlorophenyl)-1-benzimidazolyl]-N-(2-propan-2-ylphenyl)acetamide[no description available]low00benzimidazoles
N,N,1-triethyl-2-sulfanylidene-3H-benzimidazole-5-sulfonamide[no description available]low00benzimidazoles
2-methyl-1-phenyl-5-benzimidazolecarboxylic acid [2-(2-methoxyanilino)-2-oxoethyl] ester[no description available]low00benzimidazoles
3-[5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]propanoic acid[no description available]low00benzimidazoles
1-ethyl-3-[[2-[(1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]thiourea[no description available]low00benzimidazoles
6-nitro-3-phenyl-1H-benzimidazole-2-thione[no description available]low00benzimidazoles
2-(1H-benzimidazol-2-yl)-5-methyl-4-(phenylmethyl)-4H-pyrazol-3-one[no description available]low00benzimidazoles
2-(1H-benzimidazol-2-ylthio)-1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]ethanone[no description available]low00benzimidazoles
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-hydroxyethylamino)-1-benzimidazolyl]acetamide[no description available]low00benzimidazoles
N-(3,5-dichloro-2-pyridinyl)-2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]propanamide[no description available]low00benzimidazoles
N-(5-chloro-2-pyridinyl)-2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]acetamide[no description available]low00benzimidazoles
1-(1H-benzimidazol-2-yl)-3-cyclohexylurea[no description available]low00benzimidazoles
2-[(2,2-dichloro-3,3-dimethylcyclopropyl)methylthio]-1H-benzimidazole[no description available]low00benzimidazoles
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(2,5-dioxo-1-pyrrolidinyl)benzamide[no description available]low00benzimidazoles
N-(3,5-dichloro-2-pyridinyl)-2-[(1-phenyl-2-benzimidazolyl)thio]acetamide[no description available]low00benzimidazoles
2-[2-(2-chlorophenyl)-1-benzimidazolyl]-N-(2,6-diethylphenyl)acetamide[no description available]low00benzimidazoles
N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3,5-dinitrobenzamide[no description available]low00benzimidazoles
N-(1H-benzimidazol-2-yl)-3-phenylbutanamide[no description available]low00benzimidazoles
4-[2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester[no description available]low00benzimidazoles
1-(4-ethylphenyl)-2-methyl-N-(3-pyridinylmethyl)-5-benzimidazolecarboxamide[no description available]low00benzimidazoles
2-methyl-1-phenyl-5-benzimidazolecarboxylic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester[no description available]low00benzimidazoles
N-[1-[1-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-benzimidazolyl]ethyl]-4-methylbenzamide[no description available]low00benzimidazoles
N-(1H-benzimidazol-2-yl)-2-nitrobenzamide[no description available]low00benzimidazoles
N-(1H-benzimidazol-2-yl)-3-(1-imidazolyl)propanamide[no description available]low00benzimidazoles
N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-[(1-ethyl-2-benzimidazolyl)thio]-N-methylacetamide[no description available]low00benzimidazoles
N-[[1-(2-phenoxyethyl)-2-benzimidazolyl]methyl]aniline[no description available]low00benzimidazoles
N-[2-(2-benzamidoethyl)-1-methyl-5-benzimidazolyl]-2-methoxybenzamide[no description available]low00benzimidazoles
3-[5-(diethylsulfamoyl)-1-methyl-2-benzimidazolyl]propanoic acid [2-(3,5-dichloroanilino)-2-oxoethyl] ester[no description available]low00benzimidazoles
3-[1-butyl-5-(diethylsulfamoyl)-2-benzimidazolyl]propanoic acid[no description available]low00benzimidazoles
1-cyclohexyl-N-(3-methylbutyl)-5-benzimidazolecarboxamide[no description available]low00benzimidazoles
5,6-dimethyl-1-octyl-4-benzimidazolamine[no description available]low00benzimidazoles
2-[(6-chloro-2-phenyl-1-benzimidazolyl)oxy]acetic acid[no description available]low00benzimidazoles
esomeprazole magnesium[no description available]low00benzimidazoles;
sulfoxide
methiazole[no description available]low00benzimidazoles;
carbamate ester
flibanserin[no description available]low00benzimidazoles;
N-alkylpiperazine;
N-arylpiperazine;
organofluorine compound		antidepressant;
serotonergic agonist;
serotonergic antagonist
1-ethyl-N-[[1-(phenylmethyl)-2-benzimidazolyl]methyl]-5-benzimidazolamine[no description available]low00benzimidazoles
dexlansoprazole[no description available]low00benzimidazoles;
sulfoxide
ag 14361[no description available]low00benzimidazoles
l 779976[no description available]low00benzimidazoles;
indoles;
piperidinecarboxamide;
primary amino compound;
secondary carboxamide		neuroprotective agent;
somatostatin receptor agonist
NNC 55-0396 (free base)[no description available]low00benzimidazoles;
cyclopropanecarboxylate ester;
organofluorine compound;
tertiary amino compound;
tetralins		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker
binimetinib[no description available]low00benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monofluorobenzenes;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
crenolanib[no description available]low00aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
jnj 10191584[no description available]low00benzimidazoles
5-(5,6-dimethoxy-1-benzimidazolyl)-3-[(2-methylsulfonylphenyl)methoxy]-2-thiophenecarbonitrile[no description available]low00benzimidazoles
zstk474[no description available]low00benzimidazoles;
morpholines;
organofluorine compound;
triamino-1,3,5-triazine		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(4-chlorophenoxy)-2-methylpropanamide[no description available]low00benzimidazoles
5-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one[no description available]low00benzimidazoles
(2S,4R)-N-(1H-benzimidazol-2-ylmethyl)-4-cyclohexyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide[no description available]low00benzimidazoles
5-fluoro-2-indolyldeschlorohalopemide[no description available]low00benzimidazoles
LSM-33057[no description available]low00benzimidazoles
4-(4-chloro-3-nitrophenyl)-N-[2-(5,6-dichloro-1-propyl-2-benzimidazolyl)ethyl]-2-thiazolamine[no description available]low00benzimidazoles
1-butyl-2-(2-methylphenyl)-7-propan-2-yl-5H-imidazo[4,5-g]quinoxalin-6-one[no description available]low00benzimidazoles
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-piperidinecarboxamide[no description available]low00benzimidazoles
4-[(6-chloro-1H-benzimidazol-2-yl)amino]benzoic acid[no description available]low00benzimidazoles
glasdegib[no description available]low00benzimidazoles;
nitrile;
phenylureas;
piperidines		antineoplastic agent;
Hedgehog signaling pathway inhibitor;
SMO receptor antagonist
1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[(1R)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-1-phenylethyl]-3-pyridinecarboxamide[no description available]low00benzimidazoles
brd4770[no description available]low00benzimidazoles
AZ3451[no description available]low00benzimidazoles;
benzodioxoles;
nitrile;
organobromine compound;
secondary carboxamide		anti-inflammatory agent;
autophagy inducer;
PAR2 negative allosteric modulator
tak 491[no description available]low001,2,4-oxadiazole;
aromatic ether;
benzimidazoles;
carboxylic ester;
cyclic carbonate ester;
dioxolane		angiotensin receptor antagonist;
antihypertensive agent;
prodrug
N-[4-(6-chloro-5-nitro-1H-benzimidazol-2-yl)phenyl]acetamide[no description available]low00benzimidazoles
ConditionIndicatedRelationship StrengthStudiesTrials
Atypical Mycobacterial Infection, Disseminated0low10
Atypical Mycobacterial Infection, Familial Disseminated0low10
Atypical Mycobacteriosis, Familial0low10
Atypical Mycobacteriosis, Familial Disseminated0low10
Atypical Mycobacterium Infections0low10
Cancer of Prostate0low10
Cancer of the Prostate0low10
Congenital Zika Syndrome0low10
Congenital Zika Virus Infection0low10
Diabetes Mellitus, Adult-Onset0low10
Diabetes Mellitus, Ketosis-Resistant0low10
Diabetes Mellitus, Maturity-Onset0low10
Diabetes Mellitus, Non Insulin Dependent0low10
Diabetes Mellitus, Non-Insulin-Dependent0low10
Diabetes Mellitus, Noninsulin Dependent0low10
Diabetes Mellitus, Noninsulin-Dependent0low10
Diabetes Mellitus, Slow-Onset0low10
Diabetes Mellitus, Stable0low10
Diabetes Mellitus, Type 20low10
Diabetes Mellitus, Type II0low10
Disease Models, Animal0low10
Fever, Zika0low10
Infections, Atypical Mycobacterium0low10
Infections, Mycobacterium0low10
Infectious Skin Diseases0low10
Insulin Resistance0low10
Insulin Sensitivity0low10
Malaria, Falciparum0low10
Maturity-Onset Diabetes0low10
Maturity-Onset Diabetes Mellitus0low10
MODY0low10
Mycobacterium abscessus Infection0low10
Mycobacterium Infections0low10
Mycobacterium Infections, Atypical0low10
Mycobacterium Infections, Nontuberculous0low10
Neoplasms, Prostate0low10
Neoplasms, Prostatic0low10
NIDDM0low10
Noninsulin-Dependent Diabetes Mellitus0low10
Plasmodium falciparum Malaria0low10
Prostate Cancer0low10
Prostate Neoplasms0low10
Prostatic Cancer0low10
Prostatic Neoplasms0low10
Skin Diseases, Infectious0low10
Type 2 Diabetes0low10
Type 2 Diabetes Mellitus0low10
Zika Fever0low10
Zika Virus Disease0low10
Zika Virus Infection0low10
ZikV Infection0low10

Research Highlights

Bioavailability (2)

ArticleYear
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, Volume: 96, Issue: 5		2019
Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
The Journal of biological chemistry, 11-15, Volume: 294, Issue: 46		2019
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Dosage (1)

ArticleYear
Hit-to-Lead Optimization and Discovery of 5-((5-([1,1'-Biphenyl]-4-yl)-6-chloro-1H-benzo[d]imidazol-2-yl)oxy)-2-methylbenzoic Acid (MK-3903): A Novel Class of Benzimidazole-Based Activators of AMP-Activated Protein Kinase.
Journal of medicinal chemistry, 11-09, Volume: 60, Issue: 21		2017
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]