Compounds > celastrol methyl ester
Page last updated: 2024-09-26

celastrol methyl ester

Description

celastrol methyl ester: isolated from Tripterygium wilfordii; potent inhibitory activity on both Kir2.1 and ERG1 potassium channels, leading to LONG QT SYNDROME [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

FloraRankFlora DefinitionFamilyFamily Definition
TripterygiumgenusA plant genus of the family CELASTRACEAE that is a source of triterpenoids and diterpene epoxides such as triptolide.[MeSH]CelastraceaeA plant family of the order Celastrales, subclass Rosidae, class Magnoliopsida.[MeSH]

Cross-References

ID SourceID
PubMed CID159516
CHEMBL ID54804
CHEBI ID8416
SCHEMBL ID15020
MeSH IDM0053420

Synonyms (59)

Synonym
DIVK1C_006745
SDCCGMLS-0066814.P001
d:a-friedo-24-noroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, methyl ester, (20alpha)-
celastrol-methylether
24-nor-d:a-friedooleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-2-oxo-, methyl ester
SPECTRUM4_001681
SPECTRUM_001558
BSPBIO_003401
ACON0_000836
MEGXP0_000269
1258-84-0
pristimerine
nsc-99281
pristimerin
C08633
SPECTRUM5_000322
KBIO2_007174
KBIO3_002621
KBIO2_004606
KBIO2_002038
KBIOSS_002038
KBIO1_001689
KBIOGR_001942
SPECPLUS_000649
SPBIO_000591
SPECTRUM3_001651
SPECTRUM2_000546
SPECTRUM1504181
NCGC00178090-01
methyl (2r,4as,6as,12br,14as,14br)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylate
gnf-pf-476 ,
CHEMBL54804
chebi:8416 ,
methyl 10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
methyl (2r,4as,6ar,6as,14as,14br)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
unii-28zk7pr57s
28zk7pr57s ,
nsc 99281
S9404
CCG-38723
24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid, 3-hydroxy-9,13-dimethyl-2-oxo-, methyl ester, (9.beta.,13.alpha.,14.beta.,20.alpha.)-
celastrol methyl ester
celastrol methyl ester [mi]
(9.beta.,13.alpha.,14.beta.,20.alpha.)-3-hydroxy-9,13-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid
SCHEMBL15020
DTXSID5044027
(9?,13?,14?,20?)-3-hydroxy-9,13-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid methyl ester
Q-100112
mfcd01711331
bdbm50481947
CS-6257
HY-N1937
AKOS032960306
Q27108073
NCGC00178090-03
A889902
AC-34029
methyl rac-(2r,4as,6ar,6as,14as,14br)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
2-picenecarboxylic acid, 1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-, methyl ester, (2r,4as,6as,12br,14as,14br)-

Drug Classes (1)

ClassDescription
carboxylic esterAn ester of a carboxylic acid, R(1)C(=O)OR(2), where R(1) = H or organyl and R(2) = organyl.
[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 (4)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Replicase polyprotein 1abSevere acute respiratory syndrome-related coronavirusIC50 (µMol)5.50000.00402.92669.9600AID1805801; AID463921
Replicase polyprotein 1abSevere acute respiratory syndrome-related coronavirusKi3.10000.00753.00839.1100AID1805801; AID463922
Replicase polyprotein 1abSevere acute respiratory syndrome coronavirus 2IC50 (µMol)5.50000.00022.45859.9600AID1805801
Replicase polyprotein 1abSevere acute respiratory syndrome coronavirus 2Ki3.10000.00001.63079.0000AID1805801
Monoglyceride lipaseRattus norvegicus (Norway rat)IC50 (µMol)0.09300.00650.13900.3150AID1759078
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Nuclear receptor subfamily 4 group A member 1Homo sapiens (human)Kd0.96000.29000.72331.5100AID1597523
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (24)

Processvia Protein(s)Taxonomy
symbiont-mediated perturbation of host ubiquitin-like protein modificationReplicase polyprotein 1abSevere acute respiratory syndrome-related coronavirus
positive regulation of transcription by RNA polymerase IINuclear receptor subfamily 4 group A member 1Homo sapiens (human)
positive regulation of endothelial cell proliferationNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
response to amphetamineNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
cell migration involved in sprouting angiogenesisNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
transcription by RNA polymerase IINuclear receptor subfamily 4 group A member 1Homo sapiens (human)
apoptotic processNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
inflammatory responseNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
signal transductionNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
neurotransmitter secretion involved in regulation of skeletal muscle contractionNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
intracellular receptor signaling pathwayNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
detection of lipopolysaccharideNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
endothelial cell chemotaxisNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
skeletal muscle cell differentiationNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
cellular response to vascular endothelial growth factor stimulusNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
positive regulation of apoptotic processNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
cellular response to fibroblast growth factor stimulusNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
fat cell differentiationNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
negative regulation of cell cycleNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
positive regulation of transcription by RNA polymerase IINuclear receptor subfamily 4 group A member 1Homo sapiens (human)
response to electrical stimulusNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
regulation of type B pancreatic cell proliferationNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
cellular response to corticotropin-releasing hormone stimulusNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
non-canonical inflammasome complex assemblyNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
regulation of transcription by RNA polymerase IINuclear receptor subfamily 4 group A member 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (25)

Processvia Protein(s)Taxonomy
3'-5'-RNA exonuclease activityReplicase polyprotein 1abSevere acute respiratory syndrome-related coronavirus
RNA-dependent RNA polymerase activityReplicase polyprotein 1abSevere acute respiratory syndrome-related coronavirus
cysteine-type endopeptidase activityReplicase polyprotein 1abSevere acute respiratory syndrome-related coronavirus
mRNA 5'-cap (guanine-N7-)-methyltransferase activityReplicase polyprotein 1abSevere acute respiratory syndrome-related coronavirus
mRNA (nucleoside-2'-O-)-methyltransferase activityReplicase polyprotein 1abSevere acute respiratory syndrome-related coronavirus
5'-3' RNA helicase activityReplicase polyprotein 1abSevere acute respiratory syndrome-related coronavirus
K63-linked deubiquitinase activityReplicase polyprotein 1abSevere acute respiratory syndrome-related coronavirus
K48-linked deubiquitinase activityReplicase polyprotein 1abSevere acute respiratory syndrome-related coronavirus
3'-5'-RNA exonuclease activityReplicase polyprotein 1abSevere acute respiratory syndrome coronavirus 2
RNA-dependent RNA polymerase activityReplicase polyprotein 1abSevere acute respiratory syndrome coronavirus 2
cysteine-type endopeptidase activityReplicase polyprotein 1abSevere acute respiratory syndrome coronavirus 2
mRNA 5'-cap (guanine-N7-)-methyltransferase activityReplicase polyprotein 1abSevere acute respiratory syndrome coronavirus 2
mRNA (nucleoside-2'-O-)-methyltransferase activityReplicase polyprotein 1abSevere acute respiratory syndrome coronavirus 2
mRNA guanylyltransferase activityReplicase polyprotein 1abSevere acute respiratory syndrome coronavirus 2
RNA endonuclease activity, producing 3'-phosphomonoestersReplicase polyprotein 1abSevere acute respiratory syndrome coronavirus 2
ISG15-specific peptidase activityReplicase polyprotein 1abSevere acute respiratory syndrome coronavirus 2
5'-3' RNA helicase activityReplicase polyprotein 1abSevere acute respiratory syndrome coronavirus 2
protein guanylyltransferase activityReplicase polyprotein 1abSevere acute respiratory syndrome coronavirus 2
DNA-binding transcription factor activity, RNA polymerase II-specificNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
DNA-binding transcription activator activity, RNA polymerase II-specificNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
lipopolysaccharide bindingNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
DNA bindingNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
nuclear receptor activityNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
protein bindingNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
zinc ion bindingNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
identical protein bindingNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
protein heterodimerization activityNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
sequence-specific double-stranded DNA bindingNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
nuclear glucocorticoid receptor bindingNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA bindingNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
acylglycerol lipase activityMonoglyceride lipaseRattus norvegicus (Norway rat)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (10)

Processvia Protein(s)Taxonomy
double membrane vesicle viral factory outer membraneReplicase polyprotein 1abSevere acute respiratory syndrome-related coronavirus
double membrane vesicle viral factory outer membraneReplicase polyprotein 1abSevere acute respiratory syndrome coronavirus 2
nucleusNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
nucleoplasmNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
mitochondrionNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
cytosolNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
nuclear membraneNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
presynapseNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
chromatinNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
transcription regulator complexNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
nucleusNuclear receptor subfamily 4 group A member 1Homo sapiens (human)
lipid dropletMonoglyceride lipaseRattus norvegicus (Norway rat)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (80)

Assay IDTitleYearJournalArticle
AID359904Cytotoxicity against human KB cells by MTT assay1994Journal of natural products, Dec, Volume: 57, Issue:12
Cytotoxic aromatic triterpenes from Maytenus ilicifolia and Maytenus chuchuhuasca.
AID1597523Binding affinity to recombinant human N-terminal His-tagged Nur77 LBD (367 to 598 residues) expressed in Escherichia coli BL21(DE3) incubated for 30 secs by fluorescence quenching assay2019European journal of medicinal chemistry, Sep-01, Volume: 177SAR study of celastrol analogs targeting Nur77-mediated inflammatory pathway.
AID1100783Insecticidal activity against Cydia pomonella (codling moth) assessed as mortality at 20 mg/kg diet topically measured after 5 days of continuous exposure (Rvb = 0%)2000Journal of agricultural and food chemistry, Jan, Volume: 48, Issue:1
Insecticidal activity of Maytenus species (Celastraceae) nortriterpene quinone methides against codling moth, Cydia pomonella (L.) (Lepidoptera: tortricidae).
AID1100736Insecticidal activity against Cydia pomonella (codling moth) at 40 mg/kg assessed as growth regulation measured as number of head capsules of larvae after 5 days of continuous exposure (Rvb = 0.2 +/- 0.2%)2000Journal of agricultural and food chemistry, Jan, Volume: 48, Issue:1
Insecticidal activity of Maytenus species (Celastraceae) nortriterpene quinone methides against codling moth, Cydia pomonella (L.) (Lepidoptera: tortricidae).
AID733739Cytotoxicity against human SW982 cells assessed as growth inhibition after 72 hrs by MTT assay2013European journal of medicinal chemistry, Apr, Volume: 62Synthesis, anticancer and antioxidant activities of 2,4,5-trimethoxy chalcones and analogues from asaronaldehyde: structure-activity relationship.
AID1100759Antifeedant activity against Cydia pomonella (codling moth) at 20 mg/kg diet topically measured after 5 days of continuous exposure (Rvb = 6.7 +/- 6.7%)2000Journal of agricultural and food chemistry, Jan, Volume: 48, Issue:1
Insecticidal activity of Maytenus species (Celastraceae) nortriterpene quinone methides against codling moth, Cydia pomonella (L.) (Lepidoptera: tortricidae).
AID313986Inhibition of tubulin polymerization2008Bioorganic & medicinal chemistry letters, Feb-01, Volume: 18, Issue:3
Antimitotic quinoid triterpenes from Maytenus chuchuhuasca.
AID1100758Antifeedant activity against Cydia pomonella (codling moth) at 40 mg/kg diet topically measured after 5 days of continuous exposure (Rvb = 6.7 +/- 6.7%)2000Journal of agricultural and food chemistry, Jan, Volume: 48, Issue:1
Insecticidal activity of Maytenus species (Celastraceae) nortriterpene quinone methides against codling moth, Cydia pomonella (L.) (Lepidoptera: tortricidae).
AID359902Cytotoxicity against mouse L1210 cells by MTT assay1994Journal of natural products, Dec, Volume: 57, Issue:12
Cytotoxic aromatic triterpenes from Maytenus ilicifolia and Maytenus chuchuhuasca.
AID1454158Cytotoxic activity against human Bel7402 cells incubated for 48 hrs by MTT assay2017Bioorganic & medicinal chemistry letters, 08-01, Volume: 27, Issue:15
Synthesis of 3- and 29-substituted celastrol derivatives and structure-activity relationship studies of their cytotoxic activities.
AID733737Cytotoxicity against human MCF7 cells assessed as growth inhibition after 72 hrs by MTT assay2013European journal of medicinal chemistry, Apr, Volume: 62Synthesis, anticancer and antioxidant activities of 2,4,5-trimethoxy chalcones and analogues from asaronaldehyde: structure-activity relationship.
AID1100738Insecticidal activity against Cydia pomonella (codling moth) at 20 mg/kg assessed as growth regulation measured as number of head capsules of larvae after 5 days of continuous exposure (Rvb = 0.2 +/- 0.2%)2000Journal of agricultural and food chemistry, Jan, Volume: 48, Issue:1
Insecticidal activity of Maytenus species (Celastraceae) nortriterpene quinone methides against codling moth, Cydia pomonella (L.) (Lepidoptera: tortricidae).
AID566858Cytotoxicity against human MCF7 cells at 10 uM after 48 hrs by MTT assay2010Journal of natural products, Dec-27, Volume: 73, Issue:12
Cytotoxic triterpenoids from Maytenus retusa.
AID1100748Antifeedant activity against Cydia pomonella (codling moth) at 20 mg/kg diet topically measured after 10 days of continuous exposure (Rvb = 6.7 +/- 6.7%)2000Journal of agricultural and food chemistry, Jan, Volume: 48, Issue:1
Insecticidal activity of Maytenus species (Celastraceae) nortriterpene quinone methides against codling moth, Cydia pomonella (L.) (Lepidoptera: tortricidae).
AID1100771Insecticidal activity against Cydia pomonella (codling moth) assessed as mortality at 40 mg/kg diet topically measured after 10 days of continuous exposure (Rvb = 3.3 +/- 3.3%)2000Journal of agricultural and food chemistry, Jan, Volume: 48, Issue:1
Insecticidal activity of Maytenus species (Celastraceae) nortriterpene quinone methides against codling moth, Cydia pomonella (L.) (Lepidoptera: tortricidae).
AID463921Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins2010Bioorganic & medicinal chemistry letters, Mar-15, Volume: 20, Issue:6
SARS-CoV 3CLpro inhibitory effects of quinone-methide triterpenes from Tripterygium regelii.
AID1100724Insecticidal activity against Cydia pomonella (codling moth) at 80 mg/kg assessed as growth regulation measured as number of head capsules of larvae after 10 days of continuous exposure Rvb = (1.5 +/- 0.2%)2000Journal of agricultural and food chemistry, Jan, Volume: 48, Issue:1
Insecticidal activity of Maytenus species (Celastraceae) nortriterpene quinone methides against codling moth, Cydia pomonella (L.) (Lepidoptera: tortricidae).
AID1100746Antifeedant activity against Cydia pomonella (codling moth) at 80 mg/kg diet topically measured after 10 days of continuous exposure (Rvb = 6.7 +/- 6.7%)2000Journal of agricultural and food chemistry, Jan, Volume: 48, Issue:1
Insecticidal activity of Maytenus species (Celastraceae) nortriterpene quinone methides against codling moth, Cydia pomonella (L.) (Lepidoptera: tortricidae).
AID489311Antitumor activity against mouse SW1 cells2010Bioorganic & medicinal chemistry letters, Jul-01, Volume: 20, Issue:13
Synthesis and preliminary evaluation of neuroprotection of celastrol analogues in PC12 cells.
AID1454159Cytotoxic activity against human SGC7901 cells incubated for 48 hrs by MTT assay2017Bioorganic & medicinal chemistry letters, 08-01, Volume: 27, Issue:15
Synthesis of 3- and 29-substituted celastrol derivatives and structure-activity relationship studies of their cytotoxic activities.
AID566853Cytotoxicity against human MCF7 cells after 48 hrs by MTT assay2010Journal of natural products, Dec-27, Volume: 73, Issue:12
Cytotoxic triterpenoids from Maytenus retusa.
AID977599Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM2013Molecular pharmacology, Jun, Volume: 83, Issue:6
Structure-based identification of OATP1B1/3 inhibitors.
AID1454160Cytotoxic activity against human HeLa cells incubated for 48 hrs by MTT assay2017Bioorganic & medicinal chemistry letters, 08-01, Volume: 27, Issue:15
Synthesis of 3- and 29-substituted celastrol derivatives and structure-activity relationship studies of their cytotoxic activities.
AID566859Cytotoxicity against human MCF7 cells at 30 uM after 48 hrs by MTT assay2010Journal of natural products, Dec-27, Volume: 73, Issue:12
Cytotoxic triterpenoids from Maytenus retusa.
AID1322010Inhibition of His-tagged full length Hsp90/GST-tagged Cdc37 middle domain (unknown origin) interaction at 50 uM after 1 hr by TR-FRET assay relative to control2016Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21
Optimization and biological evaluation of celastrol derivatives as Hsp90-Cdc37 interaction disruptors with improved druglike properties.
AID286232Antiprotozoal activity against Giardia intestinalis IMSS:0696:1 trophozoites after 48 hrs2007Journal of natural products, May, Volume: 70, Issue:5
Antigiardial activity of triterpenoids from root bark of Hippocratea excelsa.
AID449703NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay 2008Proceedings of the National Academy of Sciences of the United States of America, Jul-01, Volume: 105, Issue:26
In silico activity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen.
AID356591Cytotoxicity against human 1A9 cells after 3 days by SRB assay2003Journal of natural products, Nov, Volume: 66, Issue:11
Antitumor agents. 228. five new agarofurans, Reissantins A-E, and cytotoxic principles from Reissantia buchananii.
AID1675570Cytotoxicity against BALB/c mouse T cell assessed as reduction in cell viability after 48 hrs by CCK8 assay2020Journal of natural products, 09-25, Volume: 83, Issue:9
Synthesis and Biological Evaluation of Celastrol Derivatives as Potential Immunosuppressive Agents.
AID356584Cytotoxicity against human A549 cells after 3 days by SRB assay2003Journal of natural products, Nov, Volume: 66, Issue:11
Antitumor agents. 228. five new agarofurans, Reissantins A-E, and cytotoxic principles from Reissantia buchananii.
AID356586Cytotoxicity against human HCT8 cells after 3 days by SRB assay2003Journal of natural products, Nov, Volume: 66, Issue:11
Antitumor agents. 228. five new agarofurans, Reissantins A-E, and cytotoxic principles from Reissantia buchananii.
AID356587Cytotoxicity against human KB cells after 3 days by SRB assay2003Journal of natural products, Nov, Volume: 66, Issue:11
Antitumor agents. 228. five new agarofurans, Reissantins A-E, and cytotoxic principles from Reissantia buchananii.
AID449704NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay2008Proceedings of the National Academy of Sciences of the United States of America, Jul-01, Volume: 105, Issue:26
In silico activity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen.
AID1454161Cytotoxic activity against human HepG2 cells incubated for 48 hrs by MTT assay2017Bioorganic & medicinal chemistry letters, 08-01, Volume: 27, Issue:15
Synthesis of 3- and 29-substituted celastrol derivatives and structure-activity relationship studies of their cytotoxic activities.
AID356590Cytotoxicity against human PC3 cells after 3 days by SRB assay2003Journal of natural products, Nov, Volume: 66, Issue:11
Antitumor agents. 228. five new agarofurans, Reissantins A-E, and cytotoxic principles from Reissantia buchananii.
AID359903Cytotoxicity against mouse P388 cells by MTT assay1994Journal of natural products, Dec, Volume: 57, Issue:12
Cytotoxic aromatic triterpenes from Maytenus ilicifolia and Maytenus chuchuhuasca.
AID1100726Insecticidal activity against Cydia pomonella (codling moth) at 40 mg/kg assessed as growth regulation measured as number of head capsules of larvae after 10 days of continuous exposure Rvb = (1.5 +/- 0.2%)2000Journal of agricultural and food chemistry, Jan, Volume: 48, Issue:1
Insecticidal activity of Maytenus species (Celastraceae) nortriterpene quinone methides against codling moth, Cydia pomonella (L.) (Lepidoptera: tortricidae).
AID1322013Antiproliferative activity against human PANC1 cells assessed as reduction in cell viability after 48 hrs by MTT assay2016Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21
Optimization and biological evaluation of celastrol derivatives as Hsp90-Cdc37 interaction disruptors with improved druglike properties.
AID401066Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 infected human erythrocytes as [3H]hypoxanthine uptake1998Journal of natural products, Jun-26, Volume: 61, Issue:6
Novel quinone methides from Salacia kraussii with in vitro antimalarial activity.
AID356585Cytotoxicity against human MCF7 cells after 3 days by SRB assay2003Journal of natural products, Nov, Volume: 66, Issue:11
Antitumor agents. 228. five new agarofurans, Reissantins A-E, and cytotoxic principles from Reissantia buchananii.
AID566779Cytotoxicity against human HL60 cells after 48 hrs by MTT assay2010Journal of natural products, Dec-27, Volume: 73, Issue:12
Cytotoxic triterpenoids from Maytenus retusa.
AID356589Cytotoxicity against human U87MG cells after 3 days by SRB assay2003Journal of natural products, Nov, Volume: 66, Issue:11
Antitumor agents. 228. five new agarofurans, Reissantins A-E, and cytotoxic principles from Reissantia buchananii.
AID449705NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7)2008Proceedings of the National Academy of Sciences of the United States of America, Jul-01, Volume: 105, Issue:26
In silico activity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen.
AID1100769Insecticidal activity against Cydia pomonella (codling moth) assessed as mortality at 80 mg/kg diet topically measured after 10 days of continuous exposure (Rvb = 3.3 +/- 3.3%)2000Journal of agricultural and food chemistry, Jan, Volume: 48, Issue:1
Insecticidal activity of Maytenus species (Celastraceae) nortriterpene quinone methides against codling moth, Cydia pomonella (L.) (Lepidoptera: tortricidae).
AID401065Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 infected human erythrocytes as [3H]hypoxanthine uptake1998Journal of natural products, Jun-26, Volume: 61, Issue:6
Novel quinone methides from Salacia kraussii with in vitro antimalarial activity.
AID1100782Insecticidal activity against Cydia pomonella (codling moth) assessed as mortality at 40 mg/kg diet topically measured after 5 days of continuous exposure (Rvb = 0%)2000Journal of agricultural and food chemistry, Jan, Volume: 48, Issue:1
Insecticidal activity of Maytenus species (Celastraceae) nortriterpene quinone methides against codling moth, Cydia pomonella (L.) (Lepidoptera: tortricidae).
AID566855Cytotoxicity against human HL60 cells at 10 uM after 48 hrs by MTT assay2010Journal of natural products, Dec-27, Volume: 73, Issue:12
Cytotoxic triterpenoids from Maytenus retusa.
AID1675572Selectivity index, ratio of CC50 for cytotoxicity against BALB/c mouse T cell to IC50 for antiproliferative activity against Con A-induced BALB/c mouse T cell2020Journal of natural products, 09-25, Volume: 83, Issue:9
Synthesis and Biological Evaluation of Celastrol Derivatives as Potential Immunosuppressive Agents.
AID463922Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins by dixon plot2010Bioorganic & medicinal chemistry letters, Mar-15, Volume: 20, Issue:6
SARS-CoV 3CLpro inhibitory effects of quinone-methide triterpenes from Tripterygium regelii.
AID356593Cytotoxicity against human 1A9 cells after 6 days by SRB assay2003Journal of natural products, Nov, Volume: 66, Issue:11
Antitumor agents. 228. five new agarofurans, Reissantins A-E, and cytotoxic principles from Reissantia buchananii.
AID356592Cytotoxicity against human 1A9/PTX10 cells after 3 days by SRB assay2003Journal of natural products, Nov, Volume: 66, Issue:11
Antitumor agents. 228. five new agarofurans, Reissantins A-E, and cytotoxic principles from Reissantia buchananii.
AID734142Cytotoxicity against human HeLa cells assessed as growth inhibition after 72 hrs by MTT assay2013European journal of medicinal chemistry, Apr, Volume: 62Synthesis, anticancer and antioxidant activities of 2,4,5-trimethoxy chalcones and analogues from asaronaldehyde: structure-activity relationship.
AID1454157Cytotoxic activity against human A549 cells incubated for 48 hrs by MTT assay2017Bioorganic & medicinal chemistry letters, 08-01, Volume: 27, Issue:15
Synthesis of 3- and 29-substituted celastrol derivatives and structure-activity relationship studies of their cytotoxic activities.
AID1675571Antiproliferative activity against Con A-induced BALB/c mouse T cell after 48 hrs by CCK8 assay2020Journal of natural products, 09-25, Volume: 83, Issue:9
Synthesis and Biological Evaluation of Celastrol Derivatives as Potential Immunosuppressive Agents.
AID356588Cytotoxicity against human KBVIN cells after 3 days by SRB assay2003Journal of natural products, Nov, Volume: 66, Issue:11
Antitumor agents. 228. five new agarofurans, Reissantins A-E, and cytotoxic principles from Reissantia buchananii.
AID1100734Insecticidal activity against Cydia pomonella (codling moth) at 80 mg/kg assessed as growth regulation measured as number of head capsules of larvae after 5 days of continuous exposure (Rvb = 0.2 +/- 0.2%)2000Journal of agricultural and food chemistry, Jan, Volume: 48, Issue:1
Insecticidal activity of Maytenus species (Celastraceae) nortriterpene quinone methides against codling moth, Cydia pomonella (L.) (Lepidoptera: tortricidae).
AID566854Cytotoxicity against human HL60 cells at 1 uM after 48 hrs by MTT assay2010Journal of natural products, Dec-27, Volume: 73, Issue:12
Cytotoxic triterpenoids from Maytenus retusa.
AID313987Growth inhibition of human RPMI8226 cells2008Bioorganic & medicinal chemistry letters, Feb-01, Volume: 18, Issue:3
Antimitotic quinoid triterpenes from Maytenus chuchuhuasca.
AID1322014Antiproliferative activity against human A549 cells assessed as reduction in cell viability after 48 hrs by MTT assay2016Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21
Optimization and biological evaluation of celastrol derivatives as Hsp90-Cdc37 interaction disruptors with improved druglike properties.
AID1100757Antifeedant activity against Cydia pomonella (codling moth) at 80 mg/kg diet topically measured after 5 days of continuous exposure (Rvb = 6.7 +/- 6.7%)2000Journal of agricultural and food chemistry, Jan, Volume: 48, Issue:1
Insecticidal activity of Maytenus species (Celastraceae) nortriterpene quinone methides against codling moth, Cydia pomonella (L.) (Lepidoptera: tortricidae).
AID566856Cytotoxicity against human HL60 cells at 30 uM after 48 hrs by MTT assay2010Journal of natural products, Dec-27, Volume: 73, Issue:12
Cytotoxic triterpenoids from Maytenus retusa.
AID566857Cytotoxicity against human MCF7 cells at 1 uM after 48 hrs by MTT assay2010Journal of natural products, Dec-27, Volume: 73, Issue:12
Cytotoxic triterpenoids from Maytenus retusa.
AID977602Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM2013Molecular pharmacology, Jun, Volume: 83, Issue:6
Structure-based identification of OATP1B1/3 inhibitors.
AID1597525Antiinflammatory activity in human HepG2 cells assessed as inhibition of TNFalpha-induced IkappaBalpha degradation at 2 uM pretreated for 1 hr followed by TNFalpha addition and measured after 30 mins by Western blot analysis2019European journal of medicinal chemistry, Sep-01, Volume: 177SAR study of celastrol analogs targeting Nur77-mediated inflammatory pathway.
AID1322012Antiproliferative activity against human MCF7 cells assessed as reduction in cell viability after 48 hrs by MTT assay2016Bioorganic & medicinal chemistry, 11-01, Volume: 24, Issue:21
Optimization and biological evaluation of celastrol derivatives as Hsp90-Cdc37 interaction disruptors with improved druglike properties.
AID1100725Insecticidal activity against Cydia pomonella (codling moth) at 20 mg/kg assessed as growth regulation measured as number of head capsules of larvae after 10 days of continuous exposure Rvb = (1.5 +/- 0.2%)2000Journal of agricultural and food chemistry, Jan, Volume: 48, Issue:1
Insecticidal activity of Maytenus species (Celastraceae) nortriterpene quinone methides against codling moth, Cydia pomonella (L.) (Lepidoptera: tortricidae).
AID90824Inhibitory activity against LPS-stimulated 1L-1beta release by cultured human monocytes1998Bioorganic & medicinal chemistry letters, Jul-21, Volume: 8, Issue:14
Novel cytokine release inhibitors. Part I: Triterpenes.
AID356594Cytotoxicity against human 1A9/PTX10 cells after 6 days by SRB assay2003Journal of natural products, Nov, Volume: 66, Issue:11
Antitumor agents. 228. five new agarofurans, Reissantins A-E, and cytotoxic principles from Reissantia buchananii.
AID1100770Insecticidal activity against Cydia pomonella (codling moth) assessed as mortality at 20 mg/kg diet topically measured after 10 days of continuous exposure (Rvb = 3.3 +/- 3.3%)2000Journal of agricultural and food chemistry, Jan, Volume: 48, Issue:1
Insecticidal activity of Maytenus species (Celastraceae) nortriterpene quinone methides against codling moth, Cydia pomonella (L.) (Lepidoptera: tortricidae).
AID401067Cytotoxicity against human HT-29 cells after 72 hrs by Alamar blue assay1998Journal of natural products, Jun-26, Volume: 61, Issue:6
Novel quinone methides from Salacia kraussii with in vitro antimalarial activity.
AID449706NOVARTIS: Inhibition Frequency Index (IFI) - the number of HTS assays where a compound showed > 50% inhibition/induction, expressed as a percentage of the number of assays in which the compound was tested.2008Proceedings of the National Academy of Sciences of the United States of America, Jul-01, Volume: 105, Issue:26
In silico activity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen.
AID1100780Insecticidal activity against Cydia pomonella (codling moth) assessed as mortality at 80 mg/kg diet topically measured after 5 days of continuous exposure (Rvb = 0%)2000Journal of agricultural and food chemistry, Jan, Volume: 48, Issue:1
Insecticidal activity of Maytenus species (Celastraceae) nortriterpene quinone methides against codling moth, Cydia pomonella (L.) (Lepidoptera: tortricidae).
AID1100747Antifeedant activity against Cydia pomonella (codling moth) at 40 mg/kg diet topically measured after 10 days of continuous exposure (Rvb = 6.7 +/- 6.7%)2000Journal of agricultural and food chemistry, Jan, Volume: 48, Issue:1
Insecticidal activity of Maytenus species (Celastraceae) nortriterpene quinone methides against codling moth, Cydia pomonella (L.) (Lepidoptera: tortricidae).
AID1759078Inhibition of recombinant rat MAGL by LC-MS analysis2021Bioorganic & medicinal chemistry letters, 06-01, Volume: 41Discovery of novel reversible monoacylglycerol lipase inhibitors via docking-based virtual screening.
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.
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.
AID1805801Various Assay from Article 10.1021/acs.jmedchem.1c00409: \\Perspectives on SARS-CoV-2 Main Protease Inhibitors.\\2021Journal of medicinal chemistry, 12-09, Volume: 64, Issue:23
Perspectives on SARS-CoV-2 Main Protease Inhibitors.
AID1159550Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening2015Nature cell biology, Nov, Volume: 17, Issue:11
6-Phosphogluconate dehydrogenase links oxidative PPP, lipogenesis and tumour growth by inhibiting LKB1-AMPK signalling.
AID602156Novartis GNF Liver Stage Dataset: Malariabox Annotation2011Science (New York, N.Y.), Dec-09, Volume: 334, Issue:6061
Imaging of Plasmodium liver stages to drive next-generation antimalarial drug discovery.
AID1159607Screen for inhibitors of RMI FANCM (MM2) intereaction2016Journal of biomolecular screening, Jul, Volume: 21, Issue:6
A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (38)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's3 (7.89)18.2507
2000's5 (13.16)29.6817
2010's11 (28.95)24.3611
2020's19 (50.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews4 (10.26%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other35 (89.74%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
tingenin b[no description available]medium30
tingenone[no description available]medium80
chloroquine[no description available]medium30aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
celastrol[no description available]medium140monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite
indomethacin[no description available]medium20aromatic 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
quinone[no description available]medium101,4-benzoquinonescofactor;
human xenobiotic metabolite;
mouse metabolite
paclitaxel[no description available]medium10taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
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
metronidazole[no description available]medium10C-nitro compound;
imidazoles;
primary alcohol		antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
vinblastine[no description available]medium10
quinacrine[no description available]medium20acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound		antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
1,3-dipropyl-8-cyclopentylxanthine[no description available]medium20oxopurineadenosine A1 receptor antagonist;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
1-aminoindan-1,5-dicarboxylic acid[no description available]medium20
astemizole[no description available]medium20benzimidazoles;
piperidines		anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist
aricine[no description available]medium20cinchona alkaloid
clotrimazole[no description available]medium20conazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes		antiinfective agent;
environmental contaminant;
xenobiotic
mefloquine hydrochloride[no description available]medium20organofluorine compound;
piperidines;
quinolines;
secondary alcohol
moclobemide[no description available]medium20benzamides;
monochlorobenzenes;
morpholines		antidepressant;
environmental contaminant;
xenobiotic
n-acetyl-4-nitrophenylserinol[no description available]medium20
oxiracetam[no description available]medium20organonitrogen compound;
organooxygen compound
pentamidine[no description available]medium20aromatic ether;
carboxamidine;
diether		anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic
pronethalol[no description available]medium20naphthalenes
propafenone[no description available]medium20aromatic ketone;
secondary alcohol;
secondary amino compound		anti-arrhythmia drug
pyrimethamine[no description available]medium20aminopyrimidine;
monochlorobenzenes		antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
scriptaid[no description available]medium30isoquinolines
6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone[no description available]medium20cyclodepsipeptide
cycloheximide[no description available]medium30antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor
phanquinone[no description available]medium20orthoquinones
diphenan[no description available]medium20diarylmethane
2-phenylacetamide[no description available]medium20monocarboxylic acid amidemouse metabolite
tetraphenylborate[no description available]medium20
cycloguanil hydrochloride[no description available]medium20hydrochloride;
organic molecular entity
emetine[no description available]medium30isoquinoline alkaloid;
pyridoisoquinoline		antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor
dequalinium chloride[no description available]medium20organic chloride saltantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor
gentian violet[no description available]medium10organic chloride saltanthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye
Berberine chloride (TN)[no description available]medium20organic molecular entity
9,10-dimethylanthracene[no description available]medium20
c 137[no description available]medium20
buquinolate[no description available]medium20
propranolol glycol[no description available]medium20
thionine[no description available]medium10
neocuproine[no description available]medium20phenanthrolineschelator;
copper chelator
mefloquine hydrochloride[no description available]medium20hydrochloride
toxoflavin[no description available]medium20carbonyl compound;
pyrimidotriazine		antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
toxin;
virulence factor;
Wnt signalling inhibitor
selfotel[no description available]medium10non-proteinogenic alpha-amino acid
plasmenylserine[no description available]medium20O-phosphoserineEC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor;
EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor;
EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
2,2',2''-terpyridine[no description available]medium20terpyridineschelator
cletoquine[no description available]medium20
lycorine[no description available]medium30indolizidine alkaloidanticoronaviral agent;
antimalarial;
plant metabolite;
protein synthesis inhibitor
bathophenanthroline[no description available]medium20benzenes;
phenanthrolines		chelator
fascaplysine[no description available]medium10
tryptanthrine[no description available]medium20alkaloid antibiotic;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound
ethylhydrocupreine[no description available]medium20aromatic ether;
cinchona alkaloid		EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
cinchonine[no description available]medium20(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite
7-chloro-4-aminoquinoline[no description available]medium20aminoquinoline
mmv665852[no description available]medium20
1,3,4,10-Tetrahydro-9(2H)-acridinone[no description available]medium20acridines
wr 158122[no description available]medium20
dihydroergocristine[no description available]medium20ergot alkaloidadrenergic antagonist;
vasodilator agent
3',4'-dichlorobenzamil[no description available]medium20guanidines;
pyrazines
cleistanthin b[no description available]medium20beta-D-glucoside;
cleistanthins;
monosaccharide derivative		alpha-adrenergic antagonist;
antihypertensive agent;
diuretic
n-acetyltyramine[no description available]medium20acetamides;
tyramines		animal metabolite;
Aspergillus metabolite;
bacterial metabolite;
marine metabolite;
quorum sensing inhibitor
1,3-di(4-imidazolinophenoxyl)propane[no description available]medium20
7h-pyrido(4,3-c)carbazole[no description available]medium20
cl 246738[no description available]medium20
2-phenyl-4-oxohydroquinoline[no description available]medium20
cypripedin[no description available]medium20phenanthrol
respinomycin d[no description available]medium20
azacrin[no description available]medium10
acetoxycycloheximide[no description available]medium20
(R)-Roemerine[no description available]medium20isoquinoline alkaloid
anisomycin[no description available]medium10monohydroxypyrrolidine;
organonitrogen heterocyclic antibiotic		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
DNA synthesis inhibitor;
protein synthesis inhibitor
2-guanidine-4-methylquinazoline[no description available]medium20
jatrorrhizine chloride[no description available]medium10
puromycin[no description available]medium20puromycinsantiinfective agent;
antimicrobial agent;
antineoplastic agent;
EC 3.4.11.14 (cytosol alanyl aminopeptidase) inhibitor;
EC 3.4.14.2 (dipeptidyl-peptidase II) inhibitor;
nucleoside antibiotic;
protein synthesis inhibitor
quinidine[no description available]medium30cinchona 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
trichostatin a[no description available]medium10antibiotic antifungal agent;
hydroxamic acid;
trichostatin		bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector
epothilone b[no description available]medium20epothilone;
epoxide		antineoplastic agent;
apoptosis inducer;
microtubule-stabilising agent
dactinomycin[no description available]medium20actinomycinmutagen
1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione[no description available]medium20pyrimidotriazine
jp-1302[no description available]medium20
7-hydroxy-2-methoxy-1,4-phenanthrenedione[no description available]medium20
cgp 60474[no description available]medium20substituted aniline
2-[2-hydroxy-6,7-dimethoxy-4-(4-morpholinyl)-1-naphthalenyl]-N-phenylacetamide[no description available]medium20naphthols
N4-(3-chlorophenyl)-6-methyl-N2-(phenylmethyl)pyrimidine-2,4-diamine[no description available]medium20aralkylamine
2,6-bis(benzimidazol-2-yl)pyridine[no description available]medium20benzimidazoles
n-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine[no description available]medium20
N-[4-(1-azepanyl)phenyl]-2-chloroacetamide[no description available]medium20anilide
N-(4-methylphenyl)carbamic acid (cyclopentylideneamino) ester[no description available]medium20toluenes
(2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine)[no description available]medium20benzimidazoles
1,4,8-trimethyl-12-quinolino[2,3-b]quinolinamine[no description available]medium20aminoquinoline
2-furanyl-(4,4,8-trimethyl-1-sulfanylidene-5-dithiolo[3,4-c]quinolinyl)methanone[no description available]medium20aromatic amide;
heteroarene
1-(6-methoxy-2,2,4-trimethyl-1-quinolinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone[no description available]medium20quinolines
stk295900[no description available]medium20
6-(4-methyl-1-piperazinyl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole[no description available]medium20benzimidazoles
N9-(4-butoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,9-diene-7,9-diamine[no description available]medium20aromatic ether
N-[2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenyl-2-benzimidazol-3-iumyl]ethenyl]-N-methylaniline[no description available]medium20benzimidazoles
4-(1-adamantyl)-2-methyl-1,3-thiazole[no description available]medium20thiazoles
2-amino-6-[4-(6-chloro-2-pyridinyl)-1-piperazinyl]pyridine-3,5-dicarbonitrile[no description available]medium20piperazines;
pyridines
1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)-3-pyrazolyl]urea[no description available]medium20pyrazoles;
ring assembly
2-(4,6,7-Trimethyl-2-quinazolinyl)guanidine[no description available]medium20quinazolines
polysulfide rubber[no description available]medium20
4-(4-nitrophenyl)-N-prop-2-enyl-1-piperazinecarbothioamide[no description available]medium20piperazines
zd 6474[no description available]medium20aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine		antineoplastic agent;
tyrosine kinase inhibitor
5-bromo-1-(1-oxopropyl)-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide[no description available]medium20indoles
N-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide[no description available]medium20aromatic amide;
heteroarene
2-[(3-ethyl-7-methyl-4-oxo-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-2-yl)thio]-N-(2-phenylethyl)acetamide[no description available]medium20organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
trichomonacid[no description available]medium20
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine[no description available]medium20triazolopyrimidines
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide[no description available]medium20isoindoles
penicillin v[no description available]medium101,1'-diethyl-2,2'-cyanine;
quinolines
hydrocortisone acetate, (11beta)-isomer[no description available]medium20
xib 4035[no description available]medium20
10-hydroxy-3-methyl-8-pentyl-2,4-dihydro-1H-[1]benzopyrano[3,4-c]pyridin-5-one[no description available]medium20pyridochromene
lumefantrine[no description available]medium20fluorenes;
monochlorobenzenes;
secondary alcohol;
tertiary amine		antimalarial
suloctidil[no description available]medium10
edatrexate[no description available]medium20glutamic acid derivative
cgp 71683 a[no description available]medium10
artenimol[no description available]medium10
aee 788[no description available]medium206-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amineangiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist;
trypanocidal drug
tomaymycin[no description available]medium20tomaymycin
amodiaquine hydrochloride[no description available]medium10
gramicidin a[no description available]medium20
N-methyl-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]-N-(3-thiophenylmethyl)propanamide[no description available]medium20benzenes
rs 39604[no description available]medium10hydrochlorideserotonergic antagonist
1-[amino-[(6-methoxy-4-methyl-2-quinazolinyl)amino]methylidene]-3-phenylurea[no description available]medium20quinazolines
triptohypol C[no description available]medium30benzenediols;
monocarboxylic acid;
pentacyclic triterpenoid		apoptosis inducer;
plant metabolite
doxorubicin hydrochloride[no description available]medium10anthracycline
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid[no description available]medium10non-proteinogenic alpha-amino acid
nsc-267703[no description available]medium10anthracycline
dactinomycin[no description available]medium10cyclodepsipeptide
amodiaquine[no description available]medium20aminoquinoline;
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
berberine[no description available]medium10alkaloid antibiotic;
berberine alkaloid;
botanical anti-fungal agent;
organic heteropentacyclic compound		antilipemic drug;
antineoplastic agent;
antioxidant;
EC 1.1.1.141 [15-hydroxyprostaglandin dehydrogenase (NAD(+))] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.13.11.52 (indoleamine 2,3-dioxygenase) inhibitor;
EC 1.21.3.3 (reticuline oxidase) inhibitor;
EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
EC 3.1.1.4 (phospholipase A2) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor;
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
hypoglycemic agent;
metabolite;
potassium channel blocker
clofilium[no description available]medium10benzenes;
organic amino compound
dequalinium[no description available]medium10quinolinium ionantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor
nsc-526417[no description available]medium10
gentian violet[no description available]medium10iminium ionantibacterial agent;
antifungal agent
hexahydrosiladifenidol[no description available]medium10
cycloguanil[no description available]medium10triazinesantifolate;
antiinfective agent;
antimalarial;
antiparasitic agent;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
triphenyltetrazolium[no description available]medium10organic cation
berbamine[no description available]medium10phenylpropanoid
palmatine[no description available]medium10berberine alkaloid;
organic heterotetracyclic compound		plant metabolite
4,6-diamino-2,2-dimethyl-1,2-dihydro-1-phenyl-s-triazine[no description available]medium10
naphthoxybutanolcyclohexylamine[no description available]medium10
staurosporine[no description available]medium10indolocarbazole alkaloid;
organic heterooctacyclic compound		apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector
propamidine[no description available]medium10aromatic ether;
guanidines;
polyether		antimicrobial agent;
antiseptic drug
quinocide[no description available]medium10
clobetasone butyrate[no description available]medium10organic molecular entity
jatrorrhizine[no description available]medium10alkaloid
LSM-4272[no description available]medium20beta-carbolines
2,4-diamino-5,6-dihydro-6,6-dimethyl-5-(4'-methoxyphenyl)-s-triazine[no description available]medium10
10-deazaaminopterin[no description available]medium10
benzamil[no description available]medium10guanidines;
pyrazines
imiloxan[no description available]medium10benzodioxine
epiberberine[no description available]medium10
mensacarcin[no description available]medium10
cephaelin[no description available]medium20pyridoisoquinoline
wr-142,490[no description available]medium10[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanolantimalarial
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanol[no description available]medium10alkylbenzene
n-(4-methylpyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine[no description available]medium10
lch-7749944[no description available]medium10
cgp 71683 a[no description available]medium10naphthalenes;
sulfonic acid derivative
2-(dimethylaminostyryl)-1-ethylpyridinium[no description available]medium10pyridinium ion
norketotifen[no description available]medium10organosulfur heterocyclic compound
d-alpha tocopherol[no description available]medium10alpha-tocopherolalgal metabolite;
antiatherogenic agent;
anticoagulant;
antioxidant;
antiviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunomodulator;
micronutrient;
nutraceutical;
plant metabolite
beta-asarone[no description available]medium10asaroneGABA modulator
ascorbic acid[no description available]medium10ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent
cyclosporine[no description available]medium10homodetic cyclic peptideanti-asthmatic drug;
anticoronaviral agent;
antifungal agent;
antirheumatic drug;
carcinogenic agent;
dermatologic drug;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
geroprotector;
immunosuppressive agent;
metabolite
euphol[no description available]medium10triterpenoid
[2-(1-piperidinyl)-1,3-benzothiazol-6-yl]-[4-(2-pyridinyl)-1-piperazinyl]methanone[no description available]medium10piperazines;
pyridines
cay 10499[no description available]medium10carbamate ester
jzl 184[no description available]medium20benzodioxoles
mjn110[no description available]medium10
catechin[no description available]medium10hydroxyflavan
5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate[no description available]medium10catechin
theophylline[no description available]medium10dimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent
bronopol[no description available]medium10nitro compound
caffeine[no description available]medium10purine alkaloid;
trimethylxanthine		adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic
N-[4-methyl-1-oxo-1-(1-oxohexan-2-ylamino)pentan-2-yl]carbamic acid (phenylmethyl) ester[no description available]medium10leucine derivative
carmofur[no description available]medium10organohalogen compound;
pyrimidines
disulfiram[no description available]medium20organic 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
ebselen[no description available]medium20benzoselenazoleanti-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
hexachlorophene[no description available]medium10bridged diphenyl fungicide;
polyphenol;
trichlorobenzene		acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug
hydroxychloroquine[no description available]medium10aminoquinoline;
organochlorine compound;
primary alcohol;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
antirheumatic drug;
dermatologic drug
beta-lapachone[no description available]medium10benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
vitamin k 3[no description available]medium101,4-naphthoquinones;
vitamin K		angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical
niclosamide[no description available]medium10benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide		anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor
protoporphyrin ix[no description available]medium10
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one[no description available]medium10indoles
alkannin[no description available]medium10naphthoquinone
triclosan[no description available]medium10aromatic ether;
dichlorobenzene;
monochlorobenzenes;
phenols		antibacterial agent;
antimalarial;
drug allergen;
EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
fungicide;
persistent organic pollutant;
xenobiotic
pyromellitic acid[no description available]medium10benzoic acids;
tetracarboxylic acid
chloranil[no description available]medium101,4-benzoquinones;
organochlorine compound		EC 2.7.1.33 (pantothenate kinase) inhibitor;
metabolite
plumbagin[no description available]medium10hydroxy-1,4-naphthoquinone;
phenols		anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite
dithiol[no description available]medium10
dihydroergotamine[no description available]medium10ergot alkaloid;
semisynthetic derivative		dopamine agonist;
non-narcotic analgesic;
serotonergic agonist;
sympatholytic agent;
vasoconstrictor agent
abietic acid[no description available]medium10abietane diterpenoid;
monocarboxylic acid		plant metabolite
4-(dimethylamino)benzoic acid[no description available]medium10
agaric acid[no description available]medium10
phenethyl isothiocyanate[no description available]medium10isothiocyanateantineoplastic agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite
1,2-benzisothiazoline-3-one[no description available]medium10organic heterobicyclic compound;
organonitrogen heterocyclic compound		disinfectant;
drug allergen;
environmental contaminant;
platelet aggregation inhibitor;
sensitiser;
xenobiotic
zinc ethylphenyldithiocarbamate[no description available]medium10
baicalin[no description available]medium20dihydroxyflavone;
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
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose[no description available]medium20gallate ester;
galloyl beta-D-glucose		anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger
vanitiolide[no description available]medium10methoxybenzenes;
phenols
lopinavir[no description available]medium10amphetamines;
dicarboxylic acid diamide		anticoronaviral agent;
antiviral drug;
HIV protease inhibitor
zpck[no description available]medium10
tanshinone[no description available]medium10abietane diterpenoidanticoronaviral agent
moxifloxacin[no description available]medium10aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone		antibacterial drug
miltirone[no description available]medium10abietane diterpenoid
cryptotanshinone[no description available]medium10abietane diterpenoidanticoronaviral agent
tanshinone ii a[no description available]medium20abietane diterpenoid
2-phenyl-1,2-benzisothiazol-3-(2h)-one[no description available]medium10
carboxyebselen[no description available]medium10
darunavir[no description available]medium20carbamate ester;
furofuran;
sulfonamide		antiviral drug;
HIV protease inhibitor
1-methylpropyl-2-imidazolyl disulfide[no description available]medium10imidazoles
nsc 95397[no description available]medium101,4-naphthoquinones
nsc 663284[no description available]medium10quinolone
abacavir[no description available]medium202,6-diaminopurinesantiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor
ferruginol[no description available]medium10abietane diterpenoid;
carbotricyclic compound;
meroterpenoid;
phenols		antibacterial agent;
antineoplastic agent;
plant metabolite;
protective agent
isopimaric acid[no description available]medium10carbotricyclic compound;
diterpenoid;
monocarboxylic acid
acetylleucyl-leucyl-norleucinal[no description available]medium20aldehyde;
tripeptide		cysteine protease inhibitor
gw 3965[no description available]medium10diarylmethane
benzyloxycarbonylleucyl-leucyl-leucine aldehyde[no description available]medium20amino aldehyde;
carbamate ester;
tripeptide		proteasome inhibitor
tenofovir[no description available]medium20nucleoside analogue;
phosphonic acids		antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor
1-(2-Naphthylmethyl)-2,3-dioxo-indoline-5-carboxamide[no description available]medium10indolecarboxamideanticoronaviral agent
1-(4-Methoxyphenyl)-2-nitroethylene[no description available]medium10methoxybenzenes
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
chlorogenic acid[no description available]medium10cinnamate ester;
tannin		food component;
plant metabolite
5-(4-Chloro-benzenesulfonyl)-pyrimidine-2,4-diamine[no description available]medium10sulfonic acid derivativeanticoronaviral agent
S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate[no description available]medium10acetylenic compound;
furans;
organofluorine compound;
thioester;
triazoles
telaprevir[no description available]medium20cyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines		antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic
N-(4-Butan-2-ylphenyl)-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]furan-2-carboxamide[no description available]medium10aromatic amide;
furans		anticoronaviral agent
8-(Trifluoromethyl)-9H-purin-6-amine[no description available]medium106-aminopurinesanticoronaviral agent
l 663536[no description available]medium10aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes		antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist
suramin sodium[no description available]medium10organosulfate oxoanion
4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione[no description available]medium10benzenes;
thiadiazolidine		anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
sitagliptin[no description available]medium20triazolopyrazine;
trifluorobenzene		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic
ginkgetin[no description available]medium10biflavonoid;
hydroxyflavone;
methoxyflavone;
ring assembly		anti-HSV-1 agent;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
metabolite
quercetin[no description available]medium107-hydroxyflavonol;
pentahydroxyflavone		antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger
apigenin[no description available]medium10trihydroxyflavoneantineoplastic agent;
metabolite
luteolin[no description available]medium103'-hydroxyflavonoid;
tetrahydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist
amentoflavone[no description available]medium20biflavonoid;
hydroxyflavone;
ring assembly		angiogenesis inhibitor;
antiviral agent;
cathepsin B inhibitor;
P450 inhibitor;
plant metabolite
baicalein[no description available]medium20trihydroxyflavoneangiogenesis 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
sciadopitysin[no description available]medium10biflavonoid;
hydroxyflavone;
methoxyflavone;
ring assembly		bone density conservation agent;
platelet aggregation inhibitor
scutellarein[no description available]medium20tetrahydroxyflavonemetabolite
benzyloxycarbonyl-phe-ala-fluormethylketone[no description available]medium20
bilobetin[no description available]medium10flavonoid oligomer
indinavir sulfate[no description available]medium20dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide		HIV protease inhibitor
cinanserin[no description available]medium10aryl sulfide;
cinnamamides;
secondary carboxamide;
tertiary amino compound		anticoronaviral agent;
antiviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor
N-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-alanyl-L-valyl-N-{(2S,3E)-5-(benzyloxy)-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-3-en-2-yl}-L-leucinamide[no description available]medium10benzyl ester;
isoxazoles;
pyrrolidin-2-ones;
tripeptide		anticoronaviral agent;
antiviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor
Ethyl (E,4S)-4-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate[no description available]medium10dipeptideanticoronaviral agent
mdl 201053[no description available]medium10
5-Chloro-3-pyridinyl 2-furoate[no description available]medium10carboxylic esteranticoronaviral agent
sp 100030[no description available]medium10
gw0742[no description available]medium10monocarboxylic acid
benzyloxycarbonyl-isoleucyl-glutamyl(o-tert-butyl)-alanyl-leucinal[no description available]medium10
sepantronium[no description available]medium10organic cation
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]medium20tripeptide;
ureas		antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic
2-(4-chlorophenyl)-1,2-benzothiazol-3-one[no description available]medium10benzothiazoles
np 031112[no description available]medium10benzenes;
naphthalenes;
thiadiazolidine		anti-inflammatory agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
Dihydrotanshinone I[no description available]medium20abietane diterpenoidanticoronaviral agent
mk-0893[no description available]medium10
Benzotriazol-1-yl 1H-indole-5-carboxylate[no description available]medium10indolyl carboxylic acidanticoronaviral agent
tannins[no description available]medium10tannin
oritavancin[no description available]medium20disaccharide derivative;
glycopeptide;
semisynthetic derivative		antibacterial drug;
antimicrobial agent
5-Bromopyridin-3-yl furan-2-carboxylate[no description available]medium10carboxylic esteranticoronaviral agent
(5-Chloropyridin-3-yl) 1H-indole-5-carboxylate[no description available]medium10indolyl carboxylic acidanticoronaviral agent
5-Chloropyridin-3-yl 1H-indole-2-carboxylate[no description available]medium10indolyl carboxylic acidanticoronaviral agent
phenylmercuric acetate[no description available]medium10arylmercury compound;
benzenes
thimerosal[no description available]medium10alkylmercury compoundantifungal drug;
antiseptic drug;
disinfectant;
drug allergen
(5-Chloropyridin-3-yl) 1H-indole-4-carboxylate[no description available]medium10indolyl carboxylic acidanticoronaviral agent
Benzyl N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(1,3-thiazol-2-yl)propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]carbamate[no description available]medium10dipeptideanticoronaviral agent
amg-837[no description available]medium10
N-[(1R)-2-(tert-butylamino)-2-oxo-1-(3-pyridinyl)ethyl]-N-(4-tert-butylphenyl)-2-furancarboxamide[no description available]medium10aromatic amide;
furans
bictegravir[no description available]medium10monocarboxylic acid amide;
organic heterotetracyclic compound;
secondary carboxamide;
trifluorobenzene		HIV-1 integrase inhibitor
sildenafil[no description available]medium10piperazines;
pyrazolopyrimidine;
sulfonamide		EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
amg531[no description available]medium10
N-[(2S)-3-cyclohexyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]-1H-indole-2-carboxamide[no description available]medium10aldehyde;
indolecarboxamide;
oligopeptide;
pyrrolidin-2-ones;
secondary carboxamide		anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor
3-fluoro-Nalpha-(1H-indol-2-ylcarbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide[no description available]medium10aldehyde;
indolecarboxamide;
monofluorobenzenes;
oligopeptide;
pyrrolidin-2-ones;
secondary carboxamide		anticoronaviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor
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
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
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
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
haloperidol[no description available]medium10aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
miltefosine[no description available]medium10phosphocholines;
phospholipid		anti-inflammatory agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antiprotozoal drug;
apoptosis inducer;
immunomodulator;
protein kinase inhibitor
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
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
pentoxifylline[no description available]medium10oxopurine
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
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
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
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]medium20hydroxy 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
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
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
aloxistatin[no description available]medium10epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide		anticoronaviral agent;
cathepsin B inhibitor
propazole[no description available]medium10benzimidazoles
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
leupeptin[no description available]medium10aldehyde;
tripeptide		bacterial metabolite;
calpain inhibitor;
cathepsin B inhibitor;
EC 3.4.21.4 (trypsin) inhibitor;
serine protease inhibitor
tetrandrine[no description available]medium10bisbenzylisoquinoline alkaloid;
isoquinolines
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
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
resiquimod[no description available]medium10imidazoquinoline
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
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
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
linezolid[no description available]medium10acetamides;
morpholines;
organofluorine compound;
oxazolidinone		antibacterial drug;
protein synthesis inhibitor
(-)-usnic acid[no description available]medium10usnic acidEC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) 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
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
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
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
genkwanin[no description available]medium10dihydroxyflavone;
monomethoxyflavone		metabolite
hyperoside[no description available]medium10beta-D-galactoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone		hepatoprotective agent;
plant metabolite
mangostin[no description available]medium10aromatic ether;
phenols;
xanthones		antimicrobial agent;
antineoplastic agent;
antioxidant;
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
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
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
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
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
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
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
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
docetaxel anhydrous[no description available]medium10secondary alpha-hydroxy ketone;
tetracyclic diterpenoid		antimalarial;
antineoplastic agent;
photosensitizing agent
wilforlide a[no description available]medium10
pyrazolanthrone[no description available]medium10anthrapyrazole;
aromatic ketone;
cyclic ketone		antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector
angiotensin ii[no description available]medium10amino acid zwitterion;
angiotensin II		human metabolite
uric acid[no description available]medium10uric acidEscherichia coli metabolite;
human metabolite;
mouse metabolite
acemetacin[no description available]low00carboxylic ester;
indol-3-yl carboxylic acid;
monocarboxylic acid;
monochlorobenzenes;
N-acylindole		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
cyclandelate[no description available]low00carboxylic ester;
secondary alcohol		vasodilator agent
cyclopentolate[no description available]low00carboxylic ester;
tertiary alcohol;
tertiary amino compound		diagnostic agent;
muscarinic antagonist;
mydriatic agent;
parasympatholytic
dicyclomine[no description available]low00carboxylic ester;
tertiary amine		antispasmodic drug;
muscarinic antagonist;
parasympatholytic
fenvalerate[no description available]low00aromatic ether;
carboxylic ester;
monochlorobenzenes		pyrethroid ester acaricide;
pyrethroid ester insecticide
flavoxate[no description available]low00carboxylic ester;
flavones;
piperidines;
tertiary amino compound		antispasmodic drug;
muscarinic antagonist;
parasympatholytic
fpl 64176[no description available]low00carboxylic ester;
pyrroles		calcium channel agonist
glafenine[no description available]low00aminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound		inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
oxybutynin[no description available]low00acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound		antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic
proglumetacin[no description available]low00aromatic ether;
benzamides;
carboxylic ester;
monochlorobenzenes;
N-acylindole;
N-alkylpiperazine		antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
lipoxygenase inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
diethylhexyladipate[no description available]low00carboxylic ester;
dicarboxylic acids and O-substituted derivatives;
diester		plasticiser
citronellyl formate[no description available]low00carboxylic ester
lauryl acetate[no description available]low00carboxylic ester
n-butyl lactate[no description available]low00carboxylic ester
triflusal[no description available]low00benzoic acids;
carboxylic ester;
salicylates
nitrosomethylurethane[no description available]low00carboxylic ester
diloxanide furoate[no description available]low00carboxylic ester;
furans;
organochlorine compound;
tertiary carboxamide		antiamoebic agent;
prodrug
tocamphyl[no description available]low00carboxylic ester
dioctyl adipate[no description available]low00carboxylic ester
bitolterol[no description available]low00carboxylic ester;
diester;
ethanolamines;
secondary alcohol;
secondary amino compound		anti-asthmatic drug;
beta-adrenergic agonist;
bronchodilator agent;
prodrug
fluazifop-butyl[no description available]low00aromatic ether;
carboxylic ester;
organofluorine compound;
pyridines
pravastatin[no description available]low003-hydroxy carboxylic acid;
carbobicyclic compound;
carboxylic ester;
hydroxy monocarboxylic acid;
secondary alcohol;
statin (semi-synthetic)		anticholesteremic drug;
environmental contaminant;
metabolite;
xenobiotic
Phenylmethyl benzeneacetate[no description available]low00carboxylic ester
methylphenylcarbinyl acetate[no description available]low00carboxylic ester
mevastatin[no description available]low002-pyranones;
carboxylic ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)		antifungal agent;
apoptosis inducer;
EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor;
fungal metabolite;
Penicillium metabolite
xanthoxyline[no description available]low00carboxylic ester
tosiben[no description available]low00benzoic acids;
carboxylic ester;
salicylates
2,4,6-trihydroxybenzaldehyde[no description available]low00carboxylic ester
aceclofenac[no description available]low00amino acid;
carboxylic ester;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
serpentine (alkaloid)[no description available]low00carboxylic ester;
iminium betaine;
indole alkaloid;
quinolizines;
zwitterion
indicine[no description available]low00carboxylic ester;
pyrrolizines
clodinafop-propargyl[no description available]low00aromatic ether;
carboxylic ester;
organochlorine compound;
organofluorine compound;
propyzamide;
pyridines		agrochemical;
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor;
herbicide
cloquintocet-mexyl[no description available]low00aromatic ether;
carboxylic ester;
organochlorine compound;
quinolines
methyl 5-nitro-2-furoate[no description available]low00carboxylic ester
efonidipine[no description available]low00C-nitro compound;
carboxylic ester;
dihydropyridine;
tertiary amino compound
nitroflurbiprofen[no description available]low00biphenyls;
carboxylic ester;
nitrate ester;
organofluorine compound		cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
geroprotector;
non-steroidal anti-inflammatory drug;
vasodilator agent
benzyloxycarbonylphenylalanylphenylalanine diazomethyl ketone[no description available]low00carboxylic ester;
diazo compound;
L-phenylalanine derivative;
secondary carboxamide		cathepsin L (EC 3.4.22.15) inhibitor
cefotiam hexetil[no description available]low00carboxylic esterprodrug
sulochrin[no description available]low00benzophenones;
carboxylic ester;
phenols		metabolite
asperphenamate[no description available]low00benzamides;
carboxylic ester;
L-phenylalanine derivative		antineoplastic agent
bifenazate[no description available]low00carboxylic esteracaricide
dabigatran etexilate[no description available]low00aromatic amide;
benzimidazoles;
beta-alanine derivative;
carboxamidine;
carboxylic ester;
pyridines		anticoagulant;
EC 3.4.21.5 (thrombin) inhibitor;
prodrug
Tautomycin[no description available]low00carboxylic ester
glaucarubinone[no description available]low00carboxylic ester;
organic heteropentacyclic compound;
quassinoid;
secondary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone;
tetrol		antimalarial;
antineoplastic agent;
geroprotector;
plant metabolite
glaucolide b[no description available]low00carboxylic ester;
ketone
agrimophol[no description available]low00carboxylic ester
[(1S,2R,3S,4S,6R,7R,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetate[no description available]low00carbotricyclic compound;
carboxylic ester;
cyclic ketone
valnemulin[no description available]low00carbotricyclic compound;
carboxylic ester;
cyclic ketone
colforsin daropate[no description available]low00acetate ester;
carboxylic ester;
cyclic ketone;
diol;
organic heterotricyclic compound;
tertiary amino compound		adenylate cyclase agonist;
antihypertensive agent;
cardiotonic drug;
vasodilator agent
kt 5720[no description available]low00carboxylic ester;
gamma-lactam;
hemiaminal;
indolocarbazole;
organic heterooctacyclic compound;
semisynthetic derivative;
tertiary alcohol		EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor
azaserine[no description available]low00carboxylic ester;
diazo compound;
L-serine derivative;
non-proteinogenic L-alpha-amino acid		antifungal agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
glutamine antagonist;
immunosuppressive agent;
metabolite
5-[[[(5-tert-butyl-2-methyl-3-furanyl)-oxomethyl]amino]methyl]-2-furancarboxylic acid ethyl ester[no description available]low00carboxylic ester
transfluthrin[no description available]low00carboxylic ester;
cyclopropanes;
organochlorine compound;
organofluorine compound		pyrethroid ester insecticide
tiamulin[no description available]low00carbotricyclic compound;
carboxylic ester;
cyclic ketone;
organic sulfide;
secondary alcohol;
semisynthetic derivative;
tertiary amino compound;
tetracyclic diterpenoid		antibacterial drug
2-furancarboxylic acid (2-acetyl-1-benzothiophen-3-yl) ester[no description available]low00carboxylic ester
2,4-dimethyl-6-oxo-3-pyrancarboxylic acid (3-nitrophenyl)methyl ester[no description available]low00carboxylic ester
2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid (phenylmethyl) ester[no description available]low00carboxylic ester
4-(3-methylanilino)-4-oxobutanoic acid (4-bromophenyl)methyl ester[no description available]low00carboxylic ester
N-[1-methyl-3-(trifluoromethyl)-5-thieno[2,3-c]pyrazolyl]carbamic acid (4-fluorophenyl)methyl ester[no description available]low00carboxylic ester
4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (5-methoxycarbonyl-2-furanyl)methyl ester[no description available]low00carboxylic ester
N-[[(cyclohexylamino)-sulfanylidenemethyl]amino]carbamic acid tert-butyl ester[no description available]low00carboxylic ester
3-oxo-2,4-dihydroquinoxaline-1-carboxylic acid (phenylmethyl) ester[no description available]low00carboxylic ester
5-bromo-2-furancarboxylic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester[no description available]low00carboxylic ester
3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[(2-fluorophenyl)methyl] ester[no description available]low00carboxylic ester
5-[[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]methyl]-2-furancarboxylic acid methyl ester[no description available]low00carboxylic ester
5-nitro-2-furancarboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester[no description available]low00carboxylic ester
4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester[no description available]low00carboxylic ester
2-[2-[5-[(3,4-dimethylanilino)-oxomethyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoic acid ethyl ester[no description available]low00carboxylic ester
2-(6-imidazo[2,1-b]thiazolyl)acetic acid (phenylmethyl) ester[no description available]low00carboxylic ester
6-amino-5,7,7-tricyano-8-pyridin-4-yl-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid (phenylmethyl) ester[no description available]low00carboxylic ester
2-furancarboxylic acid [2-(cyclohexylamino)-2-oxo-1-phenylethyl] ester[no description available]low00carboxylic ester
N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-[(5-methyl-2-furanyl)methylamino]-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]carbamic acid (phenylmethyl) ester[no description available]low00carboxylic ester
N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]cyclopropyl]-phenylmethyl]carbamic acid (phenylmethyl) ester[no description available]low00carboxylic ester
2,5-dimethyl-3-furancarboxylic acid [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] ester[no description available]low00carboxylic ester
5-o-caffeoylshikimic acid[no description available]low00alpha,beta-unsaturated monocarboxylic acid;
carboxylic ester;
catechols;
cyclohexenecarboxylic acid		plant metabolite
metofluthrin[no description available]low00carboxylic ester
rosmarinic acid[no description available]low00carboxylic ester;
monocarboxylic acid;
phenylpropanoid;
polyphenol		antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug;
plant metabolite;
serine proteinase inhibitor
3-hexenylacetate[no description available]low00carboxylic ester
11-tetradecenyl acetate[no description available]low00carboxylic ester
crotoxyphos[no description available]low00carboxylic ester
4-[6-(2,4-dichlorophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid[no description available]low00carboxylic ester
6-[4-methyl-6-(4-nitrophenyl)-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid[no description available]low00carboxylic ester
resiniferatoxin[no description available]low00carboxylic ester;
diterpenoid;
enone;
monomethoxybenzene;
organic heteropentacyclic compound;
ortho ester;
phenols;
tertiary alpha-hydroxy ketone		analgesic;
neurotoxin;
plant metabolite;
TRPV1 agonist
bifenthrin[no description available]low00carboxylic ester;
cyclopropanecarboxylate ester;
cyclopropanes;
organochlorine compound;
organofluorine compound		pyrethroid ester acaricide;
pyrethroid ester insecticide
cefpodoxime proxetil[no description available]low00carboxylic acid;
carboxylic ester;
cephalosporin		antibacterial drug;
prodrug
fumagillin[no description available]low00antibiotic antifungal drug;
carboxylic ester;
dicarboxylic acid monoester;
meroterpenoid;
organooxygen heterocyclic antibiotic;
spiro-epoxide		angiogenesis inhibitor;
antibacterial drug;
antimicrobial agent;
antiprotozoal drug;
fungal metabolite;
methionine aminopeptidase 2 inhibitor
laulimalide[no description available]low00carboxylic ester;
epoxide;
macrolide;
secondary alcohol;
secondary allylic alcohol		animal metabolite;
antimitotic;
antineoplastic agent;
marine metabolite;
microtubule-stabilising agent
retapamulin[no description available]low00carbotricyclic compound;
carboxylic ester;
cyclic ketone
capsiate[no description available]low00carboxylic ester;
monomethoxybenzene;
phenols		angiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antioxidant;
capsaicin receptor agonist;
hypoglycemic agent;
plant metabolite
naproxen-n-butyl nitrate[no description available]low00carboxylic ester;
methoxynaphthalene;
nitrate ester		EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
nitric oxide donor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
tiamulin fumarate (1:1), (3as-(3aalpha,4beta,5alpha,6alpha,8beta,9alpha,9abeta,10s*))-isomer[no description available]low00carbotricyclic compound;
carboxylic ester;
cyclic ketone
elloramycin[no description available]low00alpha-L-rhamnoside;
carboxylic ester;
enol ether;
enone;
methyl ester;
monosaccharide derivative;
phenols;
tertiary alpha-hydroxy ketone;
tetracenomycin		antimicrobial agent;
bacterial metabolite
vibrioferrin[no description available]low00carboxylic ester;
N-acyl hemiaminal;
pyrrolidin-2-ones;
tertiary alcohol;
tricarboxylic acid		marine metabolite;
siderophore
kalopanax saponin b[no description available]low00carboxylic ester;
pentacyclic triterpenoid;
triterpenoid saponin		anti-inflammatory agent;
plant metabolite
batzelladine a[no description available]low00alkaloid;
carboxylic ester;
guanidines;
organic heterotricyclic compound;
pyrrolopyrimidine;
triazaacenaphthylene		anti-HIV-1 agent;
metabolite
tosedostat[no description available]low00carboxylic ester;
hydroxamic acid;
secondary carboxamide
5-Chloropyridin-3-yl 5-(4-chlorophenyl)furan-2-carboxylate[no description available]low00carboxylic esteranticoronaviral agent
cauloside D[no description available]low00carboxylic ester;
pentacyclic triterpenoid;
triterpenoid saponin		anti-inflammatory agent;
plant metabolite
n(alpha)-acetylfusarinines[no description available]low002,5-diketopiperazines;
acetamides;
carboxylic ester;
homoallylic alcohol;
hydroxamic acid;
primary alcohol		siderophore
madecassoside[no description available]low00carboxylic ester;
pentacyclic triterpenoid;
trisaccharide derivative;
triterpenoid saponin		anti-inflammatory agent;
antioxidant;
antirheumatic drug;
plant metabolite;
vulnerary
N-[[1H-benzimidazol-2-yl(oxo)methyl]amino]carbamic acid (phenylmethyl) ester[no description available]low00carboxylic ester
3-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]hydrazo]-3-oxo-2-phenylpropanoic acid (phenylmethyl) ester[no description available]low00carboxylic ester
integric acid[no description available]low00carboxylic ester;
cyclic ketone;
dioxo monocarboxylic acid;
enal;
enone;
eremophilane sesquiterpenoid		HIV-1 integrase inhibitor;
metabolite
crambescidin 800[no description available]low00alkaloid;
carboxylic ester;
guanidines;
monocarboxylic acid amide;
organic heteropentacyclic compound;
primary amino compound;
secondary alcohol;
spiro compound		anti-HIV-1 agent;
anti-HSV-1 agent;
antimalarial;
marine metabolite
opt 80[no description available]low00carboxylic ester;
glycoside;
macrolide antibiotic;
organochlorine compound;
phenols		antibacterial drug;
bacterial metabolite;
EC 2.7.7.6 (RNA polymerase) inhibitor
ap20187[no description available]low00aromatic ether;
carboxylic ester;
N-acylpiperidine;
tertiary amino compound		ligand
tak 491[no description available]low001,2,4-oxadiazole;
aromatic ether;
benzimidazoles;
carboxylic ester;
cyclic carbonate ester;
dioxolane		angiotensin receptor antagonist;
antihypertensive agent;
prodrug
ConditionIndicatedRelationship StrengthStudiesTrials
Acute Brain Injuries0low10
Age-Related Osteoporosis0low10
Airflow Obstruction, Chronic0low10
Anemia, Fanconi0low10
Benign Neoplasms0low20
Blood Poisoning0low10
Bloodstream Infection0low10
Bone Loss, Age-Related0low10
Bone Loss, Osteoclastic0low20
Bone Loss, Perimenopausal0low10
Bone Loss, Postmenopausal0low10
Bone Resorption0low20
Brain Injuries0low10
Brain Injuries, Acute0low10
Brain Injuries, Focal0low10
Brain Lacerations0low10
Breast Cancer0low10
Breast Carcinoma0low10
Breast Neoplasms0low10
Breast Tumors0low10
Cancer0low20
Cancer of Breast0low10
Cancer of Head0low10
Cancer of Head and Neck0low10
Cancer of Mouth0low20
Cancer of Neck0low10
Cancer of Ovary0low10
Cancer of Skin0low30
Cancer of the Breast0low10
Cancer of the Head0low10
Cancer of the Head and Neck0low10
Cancer of the Mouth0low20
Cancer of the Neck0low10
Cancer of the Ovary0low10
Cancer of the Skin0low30
Carcinoma, Epidermoid0low50
Carcinoma, Planocellular0low50
Carcinoma, Squamous0low50
Carcinoma, Squamous Cell0low50
Carcinoma, Squamous Cell of Head and Neck0low10
Cardiac Hypertrophy0low10
Cardiomegaly0low10
Chronic Airflow Obstruction0low10
Chronic Obstructive Airway Disease0low10
Chronic Obstructive Lung Disease0low10
Chronic Obstructive Pulmonary Disease0low10
Chronic Obstructive Pulmonary Diseases0low10
COAD0low10
Cognitive Decline0low10
Cognitive Dysfunction0low10
Cognitive Impairments0low10
COPD0low10
Disease Models, Animal0low10
Diseases, Metabolic0low10
Enlarged Heart0low10
ER-Negative PR-Negative HER2-Negative Breast Cancer0low10
ER-Negative PR-Negative HER2-Negative Breast Neoplasms0low10
Fanconi Anemia0low10
Fanconi Hypoplastic Anemia0low10
Fanconi Pancytopenia0low10
Fanconi Panmyelopathy0low10
Fanconi's Anemia0low10
Focal Brain Injuries0low10
Head and Neck Cancer0low10
Head and Neck Neoplasm0low10
Head and Neck Neoplasms0low10
Head and Neck Squamous Cell Carcinoma0low10
Head And Neck Squamous Cell Carcinomas0low10
Head Cancer0low10
Head Neoplasm0low10
Head Neoplasms0low10
Head, Neck Neoplasms0low10
Heart Enlargement0low10
Heart Hypertrophy0low10
HNSCC0low10
Human Mammary Carcinoma0low10
Hypopharyngeal Squamous Cell Carcinoma0low10
Infections, Plasmodium0low30
Inflammation0low30
Injuries, Acute Brain0low10
Injuries, Brain0low10
Innate Inflammatory Response0low30
Kahler Disease0low10
Laryngeal Squamous Cell Carcinoma0low10
Malaria0low30
Malignancy0low20
Malignant Melanoma0low10
Malignant Neoplasm of Breast0low10
Malignant Neoplasms0low20
Malignant Tumor of Breast0low10
Mammary Cancer0low10
Mammary Carcinoma, Human0low10
Mammary Neoplasm, Human0low10
Mammary Neoplasms, Human0low10
Marsh Fever0low30
Melanoma0low10
Mental Deterioration0low10
Metabolic Diseases0low10
Mild Cognitive Impairment0low10
Mild Neurocognitive Disorder0low10
Mouth Cancer0low20
Mouth Neoplasms0low20
Multiple Myeloma0low10
Myeloma-Multiple0low10
Myeloma, Multiple0low10
Myeloma, Plasma-Cell0low10
Myelomatosis0low10
Neck Cancer0low10
Neck Neoplasm0low10
Neck Neoplasms0low10
Neoplasia0low20
Neoplasm0low20
Neoplasms0low20
Neoplasms, Benign0low20
Neoplasms, Breast0low10
Neoplasms, Head0low10
Neoplasms, Head and Neck0low10
Neoplasms, Mouth0low20
Neoplasms, Neck0low10
Neoplasms, Oral0low20
Neoplasms, Ovarian0low10
Neoplasms, Skin0low30
Neoplasms, Upper Aerodigestive Tract0low10
Oesophageal Squamous Cell Carcinoma0low10
Oral Cancer0low20
Oral Cavity Squamous Cell Carcinoma0low10
Oral Neoplasms0low20
Oral Squamous Cell Carcinoma0low10
Oral Squamous Cell Carcinomas0low10
Oral Tongue Squamous Cell Carcinoma0low10
Oropharyngeal Squamous Cell Carcinoma0low10
Osteoclastic Bone Loss0low20
Osteoporosis0low10
Osteoporosis, Age-Related0low10
Osteoporosis, Involutional0low10
Osteoporosis, Post-Menopausal0low10
Osteoporosis, Post-Traumatic0low10
Osteoporosis, Postmenopausal0low10
Osteoporosis, Senile0low10
Ovarian Cancer0low10
Ovarian Neoplasms0low10
Ovary Cancer0low10
Ovary Neoplasms0low10
Paludism0low30
Perimenopausal Bone Loss0low10
Peritonitis0low10
Plasma Cell Myeloma0low10
Plasmodium Infections0low30
Poisoning, Blood0low10
Postmenopausal Bone Loss0low10
Postmenopausal Osteoporosis0low10
Primary Peritonitis0low10
Pulmonary Disease, Chronic Obstructive0low10
Pyaemia0low10
Pyemia0low10
Pyohemia0low10
Remittent Fever0low30
Secondary Peritonitis0low10
Senile Osteoporosis0low10
Sepsis0low10
Septicemia0low10
Severe Sepsis0low10
Skin Cancer0low30
Skin Neoplasms0low30
Squamous Cell Carcinoma0low50
Squamous Cell Carcinoma of Head and Neck0low10
Squamous Cell Carcinoma of Larynx0low10
Squamous Cell Carcinoma of the Head and Neck0low10
Squamous Cell Carcinoma of the Larynx0low10
Squamous Cell Carcinoma of the Mouth0low10
Squamous Cell Carcinoma of the Nasal Cavity0low10
Squamous Cell Carcinoma, Head And Neck0low10
Thesaurismosis0low10
Triple Negative Breast Cancer0low10
Triple Negative Breast Neoplasms0low10
Triple-Negative Breast Cancer0low10
Triple-Negative Breast Neoplasm0low10
Tumors0low20
Tumors, Breast0low10
UADT Neoplasm0low10
UADT Neoplasms0low10
Upper Aerodigestive Tract Neoplasm0low10
Upper Aerodigestive Tract Neoplasms0low10
Uveal Neoplasms0low10

Research Highlights

Long-term Use (1)

ArticleYear
Pristimerin Protects Against OVX-Mediated Bone Loss by Attenuating Osteoclast Formation and Activity via Inhibition of RANKL-Mediated Activation of NF-κB and ERK Signaling Pathways.
Drug design, development and therapy, Volume: 15		2021
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioavailability (1)

ArticleYear
Imaging of Plasmodium liver stages to drive next-generation antimalarial drug discovery.
Science (New York, N.Y.), Dec-09, Volume: 334, Issue: 6061		2011
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Dosage (1)

ArticleYear
The application of natural compounds in uveal melanoma drug discovery.
The Journal of pharmacy and pharmacology, May-20, Volume: 74, Issue: 5		2022
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]