Compounds > chelidonine
Page last updated: 2024-09-21

chelidonine

Description

chelidonine: benzophenanthridine derived from scoulerine from Chelidonium majus; RN given refers to parent cpd (chelidonine, (5bR-(5balpha,6beta,12alpha))-isomer) [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

FloraRankFlora DefinitionFamilyFamily Definition
ChelidoniumgenusA plant genus in the family PAPAVERACEAE, order Papaverales, subclass Magnoliidae.[MeSH]PapaveraceaeThe poppy plant family of the order Papaverales, subclass Magnoliidae, class Magnoliopsida. These have bisexual, regular, cup-shaped flowers with one superior pistil and many stamens; 2 or 3 conspicuous, separate sepals and a number of separate petals. The fruit is a capsule. Leaves are usually deeply cut or divided into leaflets.[MeSH]

Cross-References

ID SourceID
PubMed CID197810
CHEMBL ID496867
CHEBI ID31389
SCHEMBL ID563820
MeSH IDM0171878

Synonyms (76)

Synonym
BRD-K32828673-001-01-5
BRD-K32828673-002-03-9
MEGXP0_001421
khelidonin
helidonine
(+)-chelidonine
CHEBI:31389 ,
chelidonin
ACON1_000007
einecs 207-504-1
chelidonin [german]
chelidoniny [polish]
BPBIO1_000478
PRESTWICK2_000587
PRESTWICK3_000587
stylophorin
[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-13-methyl-, (5br,6s,12bs)-
5b,6,7,12b,13,14-hexahydro-13-methyl[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenan-thridin-6-ol
chelidonine
476-32-4
BSPBIO_000434
SPBIO_002653
PRESTWICK1_000587
PRESTWICK0_000587
NCGC00167959-03
NCGC00167959-01
NCGC00167959-02
CHEMBL496867
8k7ek8446j ,
unii-8k7ek8446j
chelidoniny
S9154
AKOS016010202
20267-87-2
(1)-chelidonine
einecs 243-662-8
chelidonine (+-)-
4udg3ly0gt ,
unii-4udg3ly0gt
(1,3)benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-13-methyl-, (5br,6s,12bs)-rel-
(1,3)benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-13-methyl-, (5br,6s,12bs)-
(5br-(5b.alpha.,6.beta.,12b.alpha.))-5b,6,7,12b,13,14-hexahydro-13-methyl(1,3)benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridin-6-ol
chelidonine (+)-form
stylophorine
chelidonine, (+/-)-
chelidonine (+/-)-form [mi]
diphylline (alkaloid)
chelidonine [inci]
chelidonine [who-dd]
(+/-)-chelidonine
chelidonine (+)-form [mi]
SCHEMBL563820
CCG-208430
Q-100506
mfcd00069660
chelidonine, >=97.0% (hplc)
GHKISGDRQRSCII-ZOCIIQOWSA-N
sr-05000002251
SR-05000002251-2
bdbm50480259
NCGC00167959-05
chelidonine ((+)-chelidonine)
HY-N2369
Q1069066
HMS3886N18
(5br,6s,12bs)-13-methyl-5b,6,7,12b,13,14-hexahydro-[1,3]dioxolo[4',5':4,5]benzo[1,2-c][1,3]dioxolo[4,5-i]phenanthridin-6-ol
CS-0022550
MS-25483
DTXSID10878474 ,
NCGC00167959-12
(1s,12s,13r)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol
AC-34033
[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-13-methyl-, (5br,6s,12bs)-rel-
(5br-(5balpha,6beta,12balpha))-5b,6,7,12b,13,14-hexahydro-13-methyl(1,3)benzodioxolo(5,6-c)-1,3-dioxolo(4,5-i)phenanthridin-6-ol
dtxcid501016520
rel-(5br,6r,12bs)-13-methyl-5b,6,7,12b,13,14-hexahydro-[1,3]dioxolo[4',5':4,5]benzo[1,2-c][1,3]dioxolo[4,5-i]phenanthridin-6-ol

Drug Classes (3)

ClassDescription
alkaloid fundamental parent
benzophenanthridine alkaloidA specific group of isoquinoline alkaloids that occur only in higher plants and are constituents mainly of the Papaveraceae family.
alkaloid antibioticAny alkaloid that has significant antibiotic properties.
[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]

Bioassays (28)

Assay IDTitleYearJournalArticle
AID1651102Antiproliferative activity against human HCT116 cells assessed as reduction in cell growth after 72 hrs by MTT assay2020Bioorganic & medicinal chemistry letters, 02-15, Volume: 30, Issue:4
Design, synthesis and apoptosis-related antiproliferative activities of chelidonine derivatives.
AID632321Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced COX2 promoter activity2011Bioorganic & medicinal chemistry letters, Dec-01, Volume: 21, Issue:23
Alkaloids from Chelidonium majus and their inhibitory effects on LPS-induced NO production in RAW264.7 cells.
AID1651101Antiproliferative activity against human MCF7 cells assessed as reduction in cell growth after 72 hrs by MTT assay2020Bioorganic & medicinal chemistry letters, 02-15, Volume: 30, Issue:4
Design, synthesis and apoptosis-related antiproliferative activities of chelidonine derivatives.
AID1651104Antiproliferative activity against human L02 cells assessed as reduction in cell growth after 72 hrs by MTT assay2020Bioorganic & medicinal chemistry letters, 02-15, Volume: 30, Issue:4
Design, synthesis and apoptosis-related antiproliferative activities of chelidonine derivatives.
AID632314Cytotoxicity against mouse RAW264.7 cells assessed as cell viability at 50 uM after 24 hrs by MTT assay2011Bioorganic & medicinal chemistry letters, Dec-01, Volume: 21, Issue:23
Alkaloids from Chelidonium majus and their inhibitory effects on LPS-induced NO production in RAW264.7 cells.
AID632319Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced COX2 production at 3 uM after 18 hrs by Western blot analysis2011Bioorganic & medicinal chemistry letters, Dec-01, Volume: 21, Issue:23
Alkaloids from Chelidonium majus and their inhibitory effects on LPS-induced NO production in RAW264.7 cells.
AID397122Inhibition of HIV1 RT
AID1651103Antiproliferative activity against human K562 cells assessed as reduction in cell growth after 72 hrs by MTT assay2020Bioorganic & medicinal chemistry letters, 02-15, Volume: 30, Issue:4
Design, synthesis and apoptosis-related antiproliferative activities of chelidonine derivatives.
AID1651100Antiproliferative activity against human HepG2 cells assessed as reduction in cell growth after 72 hrs by MTT assay2020Bioorganic & medicinal chemistry letters, 02-15, Volume: 30, Issue:4
Design, synthesis and apoptosis-related antiproliferative activities of chelidonine derivatives.
AID632318Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced COX2 production after 18 hrs by Western blot analysis2011Bioorganic & medicinal chemistry letters, Dec-01, Volume: 21, Issue:23
Alkaloids from Chelidonium majus and their inhibitory effects on LPS-induced NO production in RAW264.7 cells.
AID632320Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced iNOS promoter activity2011Bioorganic & medicinal chemistry letters, Dec-01, Volume: 21, Issue:23
Alkaloids from Chelidonium majus and their inhibitory effects on LPS-induced NO production in RAW264.7 cells.
AID1651105Cytotoxicity against human PBMC assessed as reduction in cell growth after 72 hrs by MTT assay2020Bioorganic & medicinal chemistry letters, 02-15, Volume: 30, Issue:4
Design, synthesis and apoptosis-related antiproliferative activities of chelidonine derivatives.
AID632316Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced iNOS production at 3 uM after 18 hrs by Western blot analysis2011Bioorganic & medicinal chemistry letters, Dec-01, Volume: 21, Issue:23
Alkaloids from Chelidonium majus and their inhibitory effects on LPS-induced NO production in RAW264.7 cells.
AID632315Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced iNOS production after 18 hrs by Western blot analysis2011Bioorganic & medicinal chemistry letters, Dec-01, Volume: 21, Issue:23
Alkaloids from Chelidonium majus and their inhibitory effects on LPS-induced NO production in RAW264.7 cells.
AID697852Inhibition of electric eel AChE at 2 mg/ml by Ellman's method2012Bioorganic & medicinal chemistry, Nov-15, Volume: 20, Issue:22
Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.
AID632313Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced nitric oxide production after 24 hrs by griess assay2011Bioorganic & medicinal chemistry letters, Dec-01, Volume: 21, Issue:23
Alkaloids from Chelidonium majus and their inhibitory effects on LPS-induced NO production in RAW264.7 cells.
AID697853Inhibition of horse BChE at 2 mg/ml by Ellman's method2012Bioorganic & medicinal chemistry, Nov-15, Volume: 20, Issue:22
Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine.
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1645848NCATS Kinetic Aqueous Solubility Profiling2019Bioorganic & medicinal chemistry, 07-15, Volume: 27, Issue:14
Predictive models of aqueous solubility of organic compounds built on A large dataset of high integrity.
AID1347160Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1508591NCATS Rat Liver Microsome Stability Profiling2020Scientific reports, 11-26, Volume: 10, Issue:1
Retrospective assessment of rat liver microsomal stability at NCATS: data and QSAR models.
AID1347159Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1508612NCATS Parallel Artificial Membrane Permeability Assay (PAMPA) Profiling2017Bioorganic & medicinal chemistry, 02-01, Volume: 25, Issue:3
Highly predictive and interpretable models for PAMPA permeability.
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.
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.
AID1159550Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening2015Nature cell biology, Nov, Volume: 17, Issue:11
6-Phosphogluconate dehydrogenase links oxidative PPP, lipogenesis and tumour growth by inhibiting LKB1-AMPK signalling.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (62)

TimeframeStudies, This Drug (%)All Drugs %
pre-19908 (12.90)18.7374
1990's4 (6.45)18.2507
2000's10 (16.13)29.6817
2010's29 (46.77)24.3611
2020's11 (17.74)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%
Reviews1 (1.45%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other68 (98.55%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceDescriptionRelationhip StrengthStudiesTrialsClassesRoles
ellipticine[no description available]medium20indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene		antineoplastic agent;
plant metabolite
khellin[no description available]medium20furanochromone;
organic heterotricyclic compound;
oxacycle		anti-asthmatic agent;
bronchodilator agent;
cardiovascular drug;
vasodilator agent
papaverine[no description available]medium30benzylisoquinoline alkaloid;
dimethoxybenzene;
isoquinolines		antispasmodic drug;
vasodilator agent
suramin[no description available]medium10naphthalenesulfonic acid;
phenylureas;
secondary carboxamide		angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug
vincristine[no description available]medium10acetate ester;
formamides;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
phenylephrine[no description available]medium10phenols;
phenylethanolamines;
secondary amino compound		alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent
androstenedione[no description available]medium1017-oxo steroid;
3-oxo-Delta(4) steroid;
androstanoid		androgen;
Daphnia magna metabolite;
human metabolite;
mouse metabolite
colchicine[no description available]medium60alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen
rotenone[no description available]medium20organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
mitochondrial NADH:ubiquinone reductase inhibitor;
phytogenic insecticide;
piscicide;
toxin
sparteine, (7r-(7alpha,7aalpha,14alpha,14abeta))-isomer[no description available]medium10
deserpidine[no description available]medium10alkaloid ester;
benzoate ester;
methyl ester;
organic heteropentacyclic compound;
yohimban alkaloid
2,5-dimethyl-4-benzoquinone[no description available]medium10
monocrotaline[no description available]medium20pyrrolizidine alkaloid
boldine[no description available]medium20aporphine alkaloid
dihydroberberine[no description available]medium10alkaloid
Berberine chloride (TN)[no description available]medium20organic molecular entity
vinblastine[no description available]medium10
thalicarpine[no description available]medium10bisbenzylisoquinoline alkaloid;
isoquinolines
camptothecin[no description available]medium50delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
nitidine chloride[no description available]medium10
tomatine[no description available]medium10alkaloid antibiotic;
glycoalkaloid;
glycoside;
steroid alkaloid;
tetrasaccharide derivative		antifungal agent;
immunological adjuvant;
phytotoxin
daunorubicin[no description available]medium20aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones		antineoplastic agent;
bacterial metabolite
canadine[no description available]medium10aromatic ether;
berberine alkaloid;
organic heteropentacyclic compound;
oxacycle
paclitaxel[no description available]medium30taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
swainsonine[no description available]medium20indolizidine alkaloidantineoplastic agent;
EC 3.2.1.114 (mannosyl-oligosaccharide 1,3-1,6-alpha-mannosidase) inhibitor;
immunological adjuvant;
plant metabolite
rotenolone[no description available]medium10organic molecular entitymetabolite
tetrahydropalmatine[no description available]medium10an (S)-7,8,13,14-tetrahydroprotoberberine;
berberine alkaloid;
organic heterotetracyclic compound		adrenergic agent;
dopaminergic antagonist;
non-narcotic analgesic
chelerythrine chloride[no description available]medium20
plumieride[no description available]medium10glycoside
coptisine[no description available]medium10
betulin[no description available]medium20diol;
pentacyclic triterpenoid		analgesic;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
metabolite
tetrahydroalstonine[no description available]medium20methyl ester;
organic heteropentacyclic compound;
yohimban alkaloid		plant metabolite
tubulosine[no description available]medium10beta-carbolines;
isoquinoline alkaloid;
isoquinolines;
phenols;
secondary amino compound;
tertiary amino compound
hernandezine[no description available]medium20bisbenzylisoquinoline alkaloid;
isoquinolines
9-methoxyellipticine[no description available]medium40
beta-amyrin[no description available]medium10pentacyclic triterpenoid;
secondary alcohol		Aspergillus metabolite;
plant metabolite
tingenin b[no description available]medium10
jacaranone[no description available]medium10
4beta-Hydroxywithanolide E[no description available]medium10withanolide
cinchonine[no description available]medium20(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite
corynanthine[no description available]medium20yohimban alkaloid
limonin[no description available]medium30epoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound		inhibitor;
metabolite;
volatile oil component
hydrastine[no description available]medium10isoquinolinesmetabolite
aspidospermine[no description available]medium10indole alkaloid
aricine[no description available]medium10methyl ester;
yohimban alkaloid
Harringtonine[no description available]medium20alkaloid
indicine-n-oxide[no description available]medium10
homoharringtonine[no description available]medium10alkaloid ester;
enol ether;
organic heteropentacyclic compound;
tertiary alcohol		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
protein synthesis inhibitor
acronine[no description available]medium10acridone derivatives;
alkaloid		antineoplastic agent;
metabolite
jatrorrhizine chloride[no description available]medium10
ouabain[no description available]medium2011alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone		anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite
ginsenoside re[no description available]medium1012beta-hydroxy steroid;
3beta-hydroxy-4,4-dimethylsteroid;
3beta-hydroxy steroid;
beta-D-glucoside;
disaccharide derivative;
ginsenoside;
tetracyclic triterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
nephroprotective agent;
neuroprotective agent;
plant metabolite
raubasine[no description available]medium10methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound		alpha-adrenergic antagonist;
antihypertensive agent;
vasodilator agent
brucine[no description available]medium10monoterpenoid indole alkaloid;
organic heteroheptacyclic compound
stevioside[no description available]medium10beta-D-glucoside;
bridged compound;
diterpene glycoside;
ent-kaurane diterpenoid;
tetracyclic diterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
hypoglycemic agent;
plant metabolite;
sweetening agent
steviol[no description available]medium10bridged compound;
ent-kaurane diterpenoid;
monocarboxylic acid;
tertiary allylic alcohol;
tetracyclic diterpenoid		antineoplastic agent
quinidine sulfate[no description available]medium10
hirsutine, (16e,20beta)-isomer[no description available]medium10alkaloidmetabolite
quercetin[no description available]medium207-hydroxyflavonol;
pentahydroxyflavone		antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger
stigmasterol[no description available]medium103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
phytosterols;
stigmastane sterol		plant metabolite
kaempferol[no description available]medium507-hydroxyflavonol;
flavonols;
tetrahydroxyflavone		antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
senecionine[no description available]medium20lactone;
pyrrolizidine alkaloid;
tertiary alcohol		plant metabolite
bruceantin[no description available]medium40triterpenoid
esculin[no description available]medium10beta-D-glucoside;
hydroxycoumarin		antioxidant;
metabolite
fulvoplumierin[no description available]medium10carbonyl compound;
pyrans
plumericin[no description available]medium10terpene lactone
genkwanin[no description available]medium20dihydroxyflavone;
monomethoxyflavone		metabolite
seneciphylline[no description available]medium10pyrrolizine alkaloid
maytansine[no description available]medium10alpha-amino acid ester;
carbamate ester;
epoxide;
maytansinoid;
organic heterotetracyclic compound;
organochlorine compound		antimicrobial agent;
antimitotic;
antineoplastic agent;
plant metabolite;
tubulin modulator
heliparvifoline[no description available]medium10organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
ellagic acid[no description available]medium20catechols;
cyclic ketone;
lactone;
organic heterotetracyclic compound;
polyphenol		antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor;
EC 2.4.1.1 (glycogen phosphorylase) inhibitor;
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor;
EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor;
EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
food additive;
fungal metabolite;
geroprotector;
plant metabolite;
skin lightening agent
tiliroside[no description available]medium10cinnamate ester;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		plant metabolite
5,4'-dihydroxy-7,3'-dimethoxyflavone[no description available]medium10dihydroxyflavone;
dimethoxyflavone		anti-allergic agent;
anti-inflammatory agent;
antibacterial agent;
antioxidant;
melanin synthesis inhibitor;
plant metabolite
pericalline[no description available]medium10
emetine hydrochloride[no description available]medium10
ginsenoside rb1[no description available]medium20ginsenoside;
glycoside;
tetracyclic triterpenoid		anti-inflammatory drug;
anti-obesity agent;
apoptosis inhibitor;
neuroprotective agent;
plant metabolite;
radical scavenger
nomilin[no description available]medium10
tannins[no description available]medium10tannin
ajmaline[no description available]medium20
berberine[no description available]medium40alkaloid 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
celastrol[no description available]medium30monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory drug;
antineoplastic agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
Hsp90 inhibitor;
metabolite
pseudoprotopine[no description available]medium10
8-hydroxydihydrosanguinarine[no description available]medium10
4-aminophenol[no description available]medium10aminophenolallergen;
metabolite
indoleacetic acid[no description available]medium10indole-3-acetic acids;
monocarboxylic acid		auxin;
human metabolite;
mouse metabolite;
plant hormone;
plant metabolite
melatonin[no description available]medium10acetamides;
tryptamines		anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger
epibatidine[no description available]medium10alkaloid
aristolochic acid i[no description available]medium10aristolochic acids;
aromatic ether;
C-nitro compound;
cyclic acetal;
monocarboxylic acid;
organic heterotetracyclic compound		carcinogenic agent;
metabolite;
mutagen;
nephrotoxin;
toxin
5-methoxypsoralen[no description available]medium105-methoxyfurocoumarin;
organic heterotricyclic compound;
psoralens		hepatoprotective agent;
plant metabolite
2,3-dimethoxy-5-methyl-6-decyl-1,4-benzoquinone[no description available]medium101,4-benzoquinonescofactor
3,3'-diindolylmethane[no description available]medium10indolesantineoplastic agent;
P450 inhibitor
embelin[no description available]medium10dihydroxy-1,4-benzoquinonesantimicrobial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
plant metabolite
emodin[no description available]medium10trihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor
gossypol[no description available]medium10
hypericin[no description available]medium10
indole-3-carbinol[no description available]medium10indolyl alcoholantineoplastic agent;
plant metabolite
nsc 664704[no description available]medium10indolobenzazepine;
lactam;
organobromine compound		cardioprotective agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
geroprotector
kinetin[no description available]medium106-aminopurines;
furans		cytokinin;
geroprotector
beta-lapachone[no description available]medium10benzochromenone;
orthoquinones		anti-inflammatory agent;
antineoplastic agent;
plant metabolite
lavendustin a[no description available]medium10aromatic amine
lavendustin b[no description available]medium10
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
methoxsalen[no description available]medium10aromatic ether;
psoralens		antineoplastic agent;
cross-linking reagent;
dermatologic drug;
photosensitizing agent;
plant metabolite
myristicin[no description available]medium10organic molecular entitymetabolite
nalidixic acid[no description available]medium101,8-naphthyridine derivative;
monocarboxylic acid;
quinolone antibiotic		antibacterial drug;
antimicrobial agent;
DNA synthesis inhibitor
6,7-dimethoxy-3-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-isobenzofuran-1-one[no description available]medium10isoquinolines
patulin[no description available]medium10furopyran;
gamma-lactone;
lactol		antimicrobial agent;
Aspergillus metabolite;
carcinogenic agent;
mutagen;
mycotoxin;
Penicillium metabolite
phloretin[no description available]medium10dihydrochalconesantineoplastic agent;
plant metabolite
sanguinarine[no description available]medium120alkaloid antibiotic;
benzophenanthridine alkaloid;
botanical anti-fungal agent
streptonigrin[no description available]medium10pyridines;
quinolone		antimicrobial agent;
antineoplastic agent
tetrahydropapaverine[no description available]medium10aromatic ether;
benzylisoquinoline alkaloid;
benzyltetrahydroisoquinoline;
polyether;
secondary amino compound
theobromine[no description available]medium10dimethylxanthineadenosine receptor antagonist;
bronchodilator agent;
food component;
human blood serum metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
trioxsalen[no description available]medium10psoralensdermatologic drug;
photosensitizing agent
mitomycin[no description available]medium10mitomycinalkylating agent;
antineoplastic agent
reserpine[no description available]medium10alkaloid ester;
methyl ester;
yohimban alkaloid		adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic
pilocarpine hydrochloride[no description available]medium10hydrochloride
cantharidin[no description available]medium10cyclic dicarboxylic anhydride;
monoterpenoid		EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
herbicide
physostigmine[no description available]medium10carbamate ester;
indole alkaloid		antidote to curare poisoning;
EC 3.1.1.8 (cholinesterase) inhibitor;
miotic
kanamycin a[no description available]medium10kanamycinsbacterial metabolite
veratramine[no description available]medium10piperidine alkaloid
phlorhizin[no description available]medium10aryl beta-D-glucoside;
dihydrochalcones;
monosaccharide derivative		antioxidant;
plant metabolite
papaverine hydrochloride[no description available]medium10
yohimbine hydrochloride[no description available]medium10
cycloheximide[no description available]medium20antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor
gliotoxin[no description available]medium10dipeptide;
organic disulfide;
organic heterotetracyclic compound;
pyrazinoindole		antifungal agent;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
immunosuppressive agent;
mycotoxin;
proteasome inhibitor
tubercidin[no description available]medium20antibiotic antifungal agent;
N-glycosylpyrrolopyrimidine;
ribonucleoside		antimetabolite;
antineoplastic agent;
bacterial metabolite
veratridine[no description available]medium10steroidsodium channel modulator
gibberellic acid[no description available]medium10C19-gibberellin;
gibberellin monocarboxylic acid;
lactone;
organic heteropentacyclic compound		mouse metabolite;
plant metabolite
visnagin[no description available]medium10aromatic ether;
furanochromone;
polyketide		anti-inflammatory agent;
antihypertensive agent;
EC 1.1.1.37 (malate dehydrogenase) inhibitor;
phytotoxin;
plant metabolite;
vasodilator agent
skimmianine[no description available]medium10alkaloid antibiotic;
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
syrosingopine[no description available]medium10yohimban alkaloid
gramine[no description available]medium20aminoalkylindole;
indole alkaloid;
tertiary amino compound		antibacterial agent;
antiviral agent;
plant metabolite;
serotonergic antagonist
methylergonovine[no description available]medium10ergoline alkaloid
2,2'-methylenebis(4-methyl-6-tert-butylphenol)[no description available]medium10diarylmethane
indolebutyric acid[no description available]medium10indol-3-yl carboxylic acidauxin;
plant hormone;
plant metabolite
shikimic acid[no description available]medium10alpha,beta-unsaturated monocarboxylic acid;
cyclohexenecarboxylic acid;
hydroxy monocarboxylic acid		Escherichia coli metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
jervine[no description available]medium10piperidines
glycyrrhetinic acid[no description available]medium10cyclic terpene ketone;
hydroxy monocarboxylic acid;
pentacyclic triterpenoid		immunomodulator;
plant metabolite
indirubin[no description available]medium10
plumbagin[no description available]medium10hydroxy-1,4-naphthoquinone;
phenols		anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite
cepharanthine[no description available]medium20bisbenzylisoquinoline alkaloid;
isoquinolines
aloe emodin[no description available]medium20aromatic primary alcohol;
dihydroxyanthraquinone		antineoplastic agent;
plant metabolite
osthol[no description available]medium20botanical anti-fungal agent;
coumarins		metabolite
cytisine[no description available]medium10alkaloid;
bridged compound;
lactam;
organic heterotricyclic compound;
secondary amino compound		nicotinic acetylcholine receptor agonist;
phytotoxin;
plant metabolite
bicuculline[no description available]medium10benzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines		agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin
kainic acid[no description available]medium10dicarboxylic acid;
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid		antinematodal drug;
excitatory amino acid agonist
thymoquinone[no description available]medium101,4-benzoquinonesadjuvant;
anti-inflammatory agent;
antidepressant;
antineoplastic agent;
antioxidant;
cardioprotective agent;
plant metabolite
oleanolic acid[no description available]medium20hydroxy monocarboxylic acid;
pentacyclic triterpenoid		plant metabolite
podophyllotoxin[no description available]medium50furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator
hesperidin[no description available]medium103'-hydroxyflavanones;
4'-methoxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
flavanone glycoside;
monomethoxyflavanone;
rutinoside		mutagen
azomycin[no description available]medium10C-nitro compound;
imidazoles		antitubercular agent
vincamine[no description available]medium10alkaloid ester;
hemiaminal;
methyl ester;
organic heteropentacyclic compound;
vinca alkaloid		antihypertensive agent;
metabolite;
vasodilator agent
muscarine[no description available]medium10
ecdysone[no description available]medium1014alpha-hydroxy steroid;
22-hydroxy steroid;
25-hydroxy steroid;
2beta-hydroxy steroid;
3beta-sterol;
6-oxo steroid;
ecdysteroid		prohormone
n-deacetyl-n-formylcolchicine[no description available]medium10cyclic ketone
tetradecanoylphorbol acetate[no description available]medium10acetate ester;
diester;
phorbol ester;
tertiary alpha-hydroxy ketone;
tetradecanoate ester		antineoplastic agent;
apoptosis inducer;
carcinogenic agent;
mitogen;
plant metabolite;
protein kinase C agonist;
reactive oxygen species generator
2-bromoergocryptine mesylate[no description available]medium10methanesulfonate saltantiparkinson drug
zingerone[no description available]medium10methyl ketone;
monomethoxybenzene;
phenols		anti-inflammatory agent;
antiemetic;
antioxidant;
flavouring agent;
fragrance;
plant metabolite;
radiation protective agent
etoposide[no description available]medium10beta-D-glucoside;
furonaphthodioxole;
organic heterotetracyclic compound		antineoplastic agent;
DNA synthesis inhibitor
phorbol 12,13-dibutyrate[no description available]medium10butyrate ester;
phorbol ester;
tertiary alpha-hydroxy ketone
cephradine[no description available]medium10beta-lactam antibiotic allergen;
cephalosporin		antibacterial drug
quisqualic acid[no description available]medium10non-proteinogenic alpha-amino acid
colforsin[no description available]medium10acetate ester;
cyclic ketone;
labdane diterpenoid;
organic heterotricyclic compound;
tertiary alpha-hydroxy ketone;
triol		adenylate cyclase agonist;
anti-HIV agent;
antihypertensive agent;
plant metabolite;
platelet aggregation inhibitor;
protein kinase A agonist
castanospermine[no description available]medium10indolizidine alkaloidanti-HIV-1 agent;
anti-inflammatory agent;
EC 3.2.1.* (glycosidase) inhibitor;
metabolite
daunorubicin hydrochloride[no description available]medium10anthracycline
mevastatin[no description available]medium102-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
ursolic acid[no description available]medium10hydroxy monocarboxylic acid;
pentacyclic triterpenoid		geroprotector;
plant metabolite
norharman[no description available]medium10beta-carbolines;
mancude organic heterotricyclic parent		fungal metabolite;
marine metabolite
betulinic acid[no description available]medium20hydroxy 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
epigallocatechin gallate[no description available]medium20flavans;
gallate ester;
polyphenol		antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite
baccatin iii[no description available]medium10acetate ester;
benzoate ester;
tetracyclic diterpenoid		plant metabolite
taleranol[no description available]medium10macrolide
narasin[no description available]medium10diterpene glycoside
quassin[no description available]medium10triterpenoid
tomatidine[no description available]medium103beta-hydroxy steroid;
azaspiro compound;
oxaspiro compound
aloxistatin[no description available]medium30epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide		anticoronaviral agent;
cathepsin B inhibitor
rutecarpine[no description available]medium10beta-carbolines
bergenin[no description available]medium20trihydroxybenzoic acidmetabolite
pinocembrin[no description available]medium10(2S)-flavan-4-one;
dihydroxyflavanone		antineoplastic agent;
antioxidant;
metabolite;
neuroprotective agent;
vasodilator agent
isoscopoletin[no description available]medium10aromatic ether;
hydroxycoumarin		plant metabolite
vinburnine[no description available]medium10alkaloid
epicatechin[no description available]medium10catechin;
polyphenol		antioxidant
hesperetin[no description available]medium103'-hydroxyflavanones;
4'-methoxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		antineoplastic agent;
antioxidant;
plant metabolite
magnolol[no description available]medium10biphenyls
honokiol[no description available]medium50biphenyls
picropodophyllin[no description available]medium10furonaphthodioxole;
lignan;
organic heterotetracyclic compound		antineoplastic agent;
insulin-like growth factor receptor 1 antagonist;
plant metabolite;
tyrosine kinase inhibitor
tetrandrine[no description available]medium20bisbenzylisoquinoline alkaloid;
isoquinolines
dehydrocostus lactone[no description available]medium10gamma-lactone;
guaiane sesquiterpenoid;
organic heterotricyclic compound;
sesquiterpene lactone		antimycobacterial drug;
antineoplastic agent;
apoptosis inducer;
cyclooxygenase 2 inhibitor;
metabolite;
trypanocidal drug
madecassic acid[no description available]medium10monocarboxylic acid;
pentacyclic triterpenoid;
tetrol		antioxidant;
plant metabolite
panaxadiol[no description available]medium10triterpenoid saponin
tryptanthrine[no description available]medium40alkaloid antibiotic;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound
homoeriodictyol[no description available]medium103'-methoxyflavanones;
4'-hydroxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone		flavouring agent;
metabolite
4-hydroxyindole[no description available]medium10hydroxyindoles;
phenols
eriocitrin[no description available]medium103'-hydroxyflavanones;
4'-hydroxyflavanones;
disaccharide derivative;
flavanone glycoside;
rutinoside;
trihydroxyflavanone		antioxidant
7,8-dihydromethysticin[no description available]medium102-pyranones;
aromatic ether
nicotine[no description available]medium103-(1-methylpyrrolidin-2-yl)pyridineanxiolytic drug;
biomarker;
immunomodulator;
mitogen;
neurotoxin;
nicotinic acetylcholine receptor agonist;
peripheral nervous system drug;
phytogenic insecticide;
plant metabolite;
psychotropic drug;
teratogenic agent;
xenobiotic
aucubin[no description available]medium20organic molecular entitymetabolite
lupinine[no description available]medium10quinolizidine alkaloid
matrine[no description available]medium10alkaloid
friedelin[no description available]medium10cyclic terpene ketone;
pentacyclic triterpenoid		anti-inflammatory drug;
antipyretic;
non-narcotic analgesic;
plant metabolite
catalpol[no description available]medium20organic molecular entitymetabolite
quinine hydrochloride[no description available]medium10
sarsasapogenin[no description available]medium10sapogenin
prunin protein, prunus[no description available]medium10(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
flavanone 7-O-beta-D-glucoside;
monosaccharide derivative		antibacterial agent;
antilipemic drug;
hypoglycemic agent;
metabolite
podocarpic acid[no description available]medium10abietane diterpenoid
harmol hydrochloride[no description available]medium10
5-Methoxyflavone[no description available]medium10ether;
flavonoids
10-hydroxycamptothecin[no description available]medium10pyranoindolizinoquinoline
corydaline[no description available]medium10isoquinoline alkaloid;
isoquinolines
demissidine[no description available]medium10alkaloid;
organic heteropolycyclic compound;
steroid
cinchonidine[no description available]medium10(8xi)-cinchonan-9-ol;
cinchona alkaloid		metabolite
propidium iodide[no description available]medium10organic iodide salt
tryptoline[no description available]medium10beta-carbolines
deguelin[no description available]medium10aromatic ether;
diether;
organic heteropentacyclic compound;
rotenones		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
apoptosis inducer;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
mitochondrial NADH:ubiquinone reductase inhibitor;
plant metabolite
catechin[no description available]medium10hydrategeroprotector
daidzin[no description available]medium207-hydroxyisoflavones 7-O-beta-D-glucoside;
hydroxyisoflavone;
monosaccharide derivative		plant metabolite
cafestol[no description available]medium10diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
plant metabolite
parthenolide[no description available]medium10germacranolide
homoorientin[no description available]medium10flavone C-glycoside;
tetrahydroxyflavone		antineoplastic agent;
radical scavenger
asiatic acid[no description available]medium10monocarboxylic acid;
pentacyclic triterpenoid;
triol		angiogenesis modulating agent;
metabolite
angustmycin a[no description available]medium106-aminopurines
razadyne[no description available]medium10
phytosphingosine[no description available]medium10amino alcohol;
sphingoid;
triol		mouse metabolite;
Saccharomyces cerevisiae metabolite
tetradecanoylphorbol acetate[no description available]medium10
4'-demethylepipodophyllotoxin[no description available]medium10furonaphthodioxole;
organic heterotetracyclic compound;
phenols		antineoplastic agent
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine[no description available]medium50leucine derivative
e 64[no description available]medium20dicarboxylic acid monoamide;
epoxy monocarboxylic acid;
guanidines;
L-leucine derivative;
zwitterion		antimalarial;
antiparasitic agent;
protease inhibitor
sinensetin[no description available]medium10pentamethoxyflavoneplant metabolite
harmalol hydrochloride[no description available]medium10
hyoscyamine[no description available]medium10tropane alkaloid
schizandrin a[no description available]medium10
schizandrin b[no description available]medium10aromatic ether;
cyclic acetal;
organic heterotetracyclic compound;
oxacycle;
tannin		anti-asthmatic agent;
anti-inflammatory agent;
antilipemic drug;
antioxidant;
apoptosis inhibitor;
hepatoprotective agent;
nephroprotective agent;
neuroprotective agent;
plant metabolite
cryptotanshinone[no description available]medium10abietane diterpenoidanticoronaviral agent
isosakuranetin[no description available]medium10(2S)-flavan-4-one;
4'-methoxyflavanones;
dihydroxyflavanone;
monomethoxyflavanone		plant metabolite
isovitexin[no description available]medium10C-glycosyl compound;
trihydroxyflavone		EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite
sclareol[no description available]medium10labdane diterpenoidantifungal agent;
antimicrobial agent;
apoptosis inducer;
fragrance;
plant metabolite
tanshinone ii a[no description available]medium20abietane diterpenoid
leucodin[no description available]medium10sesquiterpene lactone
maduramicin[no description available]medium10
troleandomycin[no description available]medium10acetate ester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyketide;
semisynthetic derivative		EC 1.14.13.97 (taurochenodeoxycholate 6alpha-hydroxylase) inhibitor;
xenobiotic
santonin[no description available]medium10botanical anti-fungal agent;
santonin		plant metabolite
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
vincristine sulfate[no description available]medium10organic sulfate saltantineoplastic agent;
geroprotector
anisomycin[no description available]medium10monohydroxypyrrolidine;
organonitrogen heterocyclic antibiotic		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
antiparasitic agent;
bacterial metabolite;
DNA synthesis inhibitor;
protein synthesis inhibitor
acetylstrophanthidin[no description available]medium10acetate esteranti-arrhythmia drug
acivicin[no description available]medium10isoxazoles;
non-proteinogenic L-alpha-amino acid;
organochlorine compound		antileishmanial agent;
antimetabolite;
antimicrobial agent;
antineoplastic agent;
EC 2.3.2.2 (gamma-glutamyltransferase) inhibitor;
glutamine antagonist;
metabolite
ketopinic acid[no description available]medium10
wortmannin[no description available]medium10acetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound		anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent
gitoxigenin[no description available]medium1014beta-hydroxy steroid;
16beta-hydroxy steroid;
3beta-hydroxy steroid
graveoline[no description available]medium10quinolines
4-oxy-6-(4-oxybezoyloxy)dauc-8,9-en[no description available]medium10
naringenin[no description available]medium10(2S)-flavan-4-one;
naringenin		expectorant;
plant metabolite
puromycin[no description available]medium10puromycinsantiinfective 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
taxifolin[no description available]medium10taxifolinmetabolite
mimosine[no description available]medium104-pyridones;
amino acid zwitterion;
non-proteinogenic L-alpha-amino acid		EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite
eriodictyol[no description available]medium103'-hydroxyflavanones;
tetrahydroxyflavanone
arbutin[no description available]medium20beta-D-glucoside;
monosaccharide derivative		Escherichia coli metabolite;
plant metabolite
quinidine[no description available]medium20cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker
conessine[no description available]medium20steroid alkaloid;
tertiary amino compound		antibacterial agent;
antimalarial;
H3-receptor antagonist;
plant metabolite
griseofulvin[no description available]medium101-benzofurans;
antibiotic antifungal drug;
benzofuran antifungal drug;
organochlorine compound;
oxaspiro compound		antibacterial agent;
Penicillium metabolite
digitoxin[no description available]medium10cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
hyperforin[no description available]medium10
deltaline[no description available]medium10acetate ester;
cyclic acetal;
diterpene alkaloid;
organic polycyclic compound;
tertiary alcohol;
tertiary amino compound
ingenol[no description available]medium10cyclic terpene ketone;
tetracyclic diterpenoid
picrotin[no description available]medium10diol;
epoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol		plant metabolite
picrotoxinin[no description available]medium10epoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol		GABA antagonist;
plant metabolite;
serotonergic antagonist
naringin[no description available]medium10(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
neohesperidoside		anti-inflammatory agent;
antineoplastic agent;
metabolite
isonaringin[no description available]medium10(2S)-flavan-4-one;
4'-hydroxyflavanones;
dihydroxyflavanone;
disaccharide derivative;
rutinoside		anti-inflammatory agent;
antioxidant;
metabolite
ochratoxin a[no description available]medium10isochromanes;
monocarboxylic acid amide;
N-acyl-L-phenylalanine;
organochlorine compound;
phenylalanine derivative		Aspergillus metabolite;
calcium channel blocker;
carcinogenic agent;
mycotoxin;
nephrotoxin;
Penicillium metabolite;
teratogenic agent
gingerol[no description available]medium10beta-hydroxy ketone;
guaiacols		antineoplastic agent;
plant metabolite
securinine[no description available]medium10indolizines
Dubinidine[no description available]medium10organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
cyclopamine[no description available]medium10piperidinesglioma-associated oncogene inhibitor
doxorubicin hydrochloride[no description available]medium10anthracycline
vinpocetine[no description available]medium10alkaloidgeroprotector
dihydroergocristine monomesylate[no description available]medium10methanesulfonate saltalpha-adrenergic antagonist;
geroprotector;
vasodilator agent
tretinoin[no description available]medium10retinoic acid;
vitamin A		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
AP-1 antagonist;
human metabolite;
keratolytic drug;
retinoic acid receptor agonist;
retinoid X receptor agonist;
signalling molecule
resveratrol[no description available]medium20resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
ferulic acid[no description available]medium10ferulic acidsanti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
MALDI matrix material;
plant metabolite
thapsigargin[no description available]medium10butyrate ester;
organic heterotricyclic compound;
sesquiterpene lactone		calcium channel blocker;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor
mycophenolic acid[no description available]medium102-benzofurans;
gamma-lactone;
monocarboxylic acid;
phenols		anticoronaviral agent;
antimicrobial agent;
antineoplastic agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
environmental contaminant;
immunosuppressive agent;
mycotoxin;
Penicillium metabolite;
xenobiotic
alitretinoin[no description available]medium10retinoic acidantineoplastic agent;
keratolytic drug;
metabolite;
retinoid X receptor agonist
L-cycloserine[no description available]medium204-amino-1,2-oxazolidin-3-oneanti-HIV agent;
anticonvulsant;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
12-deoxyphorbol 13-acetate[no description available]medium10phorbol estermetabolite
dactinomycin[no description available]medium10actinomycinmutagen
aphidicolin[no description available]medium10tetracyclic diterpenoidantimicrobial agent;
antimitotic;
antineoplastic agent;
antiviral drug;
apoptosis inducer;
Aspergillus metabolite;
DNA synthesis inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
fungal metabolite
(+)-usnic acid[no description available]medium10usnic acid
beta, beta-dimethylacrylshikonin, (+)-isomer[no description available]medium10hydroxy-1,4-naphthoquinone
shikonin[no description available]medium20hydroxy-1,4-naphthoquinone
rhapontin[no description available]medium10rhaponticinangiogenesis inhibitor;
anti-allergic agent;
anti-inflammatory agent;
antilipemic drug;
antineoplastic agent;
apoptosis inducer;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
hypoglycemic agent;
neuroprotective agent;
plant metabolite
piperine[no description available]medium10benzodioxoles;
N-acylpiperidine;
piperidine alkaloid;
tertiary carboxamide		food component;
human blood serum metabolite;
NF-kappaB inhibitor;
plant metabolite
rauwolscine[no description available]medium10methyl 17-hydroxy-20xi-yohimban-16-carboxylate
amygdalin[no description available]medium10amygdalinantineoplastic agent;
apoptosis inducer;
plant metabolite
hydrastine, (r-(r*,s*))-isomer[no description available]medium10isoquinolines
vasicine[no description available]medium10
3,3',4,5'-tetrahydroxystilbene[no description available]medium10catechols;
polyphenol;
resorcinols;
stilbenol		antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor
caffeic acid[no description available]medium10caffeic acidgeroprotector;
mouse metabolite
cotinine[no description available]medium10N-alkylpyrrolidine;
pyridines;
pyrrolidin-2-ones;
pyrrolidine alkaloid		antidepressant;
biomarker;
human xenobiotic metabolite;
plant metabolite
heliotrine[no description available]medium10pyrrolizines
sclareolide[no description available]medium10naphthofuran
hypocrellin b[no description available]medium10
capsaicin[no description available]medium10capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker
aurapten[no description available]medium10coumarins;
monoterpenoid		antihypertensive agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
dopaminergic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
gamma-secretase modulator;
gastrointestinal drug;
hepatoprotective agent;
matrix metalloproteinase inhibitor;
neuroprotective agent;
plant metabolite;
PPARalpha agonist;
vulnerary
chlorogenic acid[no description available]medium10cinnamate ester;
tannin		food component;
plant metabolite
fumonisin b2[no description available]medium10diester;
diol;
fumonisin;
primary amino compound		Aspergillus metabolite;
carcinogenic agent
lincomycin[no description available]medium10carbohydrate-containing antibiotic;
L-proline derivative;
monocarboxylic acid amide;
pyrrolidinecarboxamide;
S-glycosyl compound		antimicrobial agent;
bacterial metabolite
valinomycin[no description available]medium10cyclodepsipeptide;
macrocycle		antimicrobial agent;
antiviral agent;
bacterial metabolite;
potassium ionophore
orlistat[no description available]medium20beta-lactone;
carboxylic ester;
formamides;
L-leucine derivative		anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor
12-deoxyphorbolphenylacetate-20-acetate[no description available]medium10
brassinin[no description available]medium10dithiocarbamic ester;
indole phytoalexin
chaetomellic acid a[no description available]medium10
hirsutine[no description available]medium10
3-deoxyvasicine, hydrochloride[no description available]medium10
emetine dihydrochloride[no description available]medium10hydrochlorideanticoronaviral agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
protein synthesis inhibitor
salinomycin[no description available]medium10polyketide;
spiroketal		animal growth promotant;
potassium ionophore
silybin[no description available]medium10
5,6-dehydrokawain[no description available]medium102-pyranones;
aromatic ether
9,10-dihydrolysergol[no description available]medium10
geranylgeranic acid[no description available]medium10alpha,beta-unsaturated monocarboxylic acid;
diterpenoid;
methyl-branched fatty acid;
trienoic fatty acid
dinoprostone[no description available]medium20prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic
dinoprost[no description available]medium10monocarboxylic acid;
prostaglandins Falpha		human metabolite;
mouse metabolite
biochanin a[no description available]medium104'-methoxyisoflavones;
7-hydroxyisoflavones		antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
formononetin[no description available]medium104'-methoxyisoflavones;
7-hydroxyisoflavones		phytoestrogen;
plant metabolite
prostaglandin b1[no description available]medium10prostaglandins Bhuman metabolite
sterigmatocystin[no description available]medium10sterigmatocystinsmetabolite
vitexin[no description available]medium10C-glycosyl compound;
trihydroxyflavone		antineoplastic agent;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
plant metabolite;
platelet aggregation inhibitor
acacetin[no description available]medium10dihydroxyflavone;
monomethoxyflavone		anticonvulsant;
plant metabolite
apigenin[no description available]medium10trihydroxyflavoneantineoplastic agent;
metabolite
luteolin[no description available]medium403'-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
quercitrin[no description available]medium10alpha-L-rhamnoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone		antileishmanial agent;
antioxidant;
EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
plant metabolite
scopoletin[no description available]medium10hydroxycoumarinplant growth regulator;
plant metabolite
hymecromone[no description available]medium10hydroxycoumarinantineoplastic agent;
hyaluronic acid synthesis inhibitor
alprostadil[no description available]medium10prostaglandins Eanticoagulant;
human metabolite;
platelet aggregation inhibitor;
vasodilator agent
quercetin 3-o-glucopyranoside[no description available]medium10beta-D-glucoside;
monosaccharide derivative;
quercetin O-glucoside;
tetrahydroxyflavone		antineoplastic agent;
antioxidant;
antipruritic drug;
bone density conservation agent;
geroprotector;
histamine antagonist;
osteogenesis regulator;
plant metabolite
rutin[no description available]medium10disaccharide derivative;
quercetin O-glucoside;
rutinoside;
tetrahydroxyflavone		antioxidant;
metabolite
genistein[no description available]medium407-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
amphotericin b[no description available]medium10antibiotic antifungal drug;
macrolide antibiotic;
polyene antibiotic		antiamoebic agent;
antiprotozoal drug;
bacterial metabolite
butein[no description available]medium10chalcones;
polyphenol		antineoplastic agent;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
geroprotector;
hypoglycemic agent;
plant metabolite;
radiosensitizing agent;
tyrosine kinase inhibitor
sulfuretin[no description available]medium101-benzofurans
genistin[no description available]medium107-hydroxyisoflavones 7-O-beta-D-glucoside
chartreusin[no description available]medium10benzochromenone;
glycoside
methysticin[no description available]medium102-pyranones;
aromatic ether
yangonin[no description available]medium102-pyranones;
aromatic ether
zearalenone[no description available]medium10macrolide;
resorcinols		fungal metabolite;
mycoestrogen
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
chrysin[no description available]medium407-hydroxyflavonol;
dihydroxyflavone		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite
datiscetin[no description available]medium107-hydroxyflavonol;
tetrahydroxyflavone
diosmetin[no description available]medium103'-hydroxyflavonoid;
monomethoxyflavone;
trihydroxyflavone		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
bone density conservation agent;
cardioprotective agent;
plant metabolite;
tropomyosin-related kinase B receptor agonist;
vasodilator agent
diosmin[no description available]medium10dihydroxyflavanone;
disaccharide derivative;
glycosyloxyflavone;
monomethoxyflavone;
rutinoside		anti-inflammatory agent;
antioxidant
fisetin[no description available]medium103'-hydroxyflavonoid;
7-hydroxyflavonol;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
metabolite;
plant metabolite
galangin[no description available]medium107-hydroxyflavonol;
trihydroxyflavone		antimicrobial agent;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
plant metabolite
3-methylquercetin[no description available]medium207-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		anticoagulant;
EC 1.14.18.1 (tyrosinase) inhibitor;
metabolite
morin[no description available]medium107-hydroxyflavonol;
pentahydroxyflavone		angiogenesis modulating agent;
anti-inflammatory agent;
antibacterial agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
hepatoprotective agent;
metabolite;
neuroprotective agent
myricetin[no description available]medium107-hydroxyflavonol;
hexahydroxyflavone		antineoplastic agent;
antioxidant;
cyclooxygenase 1 inhibitor;
food component;
geroprotector;
hypoglycemic agent;
plant metabolite
rhamnetin[no description available]medium10monomethoxyflavone;
tetrahydroxyflavone		anti-inflammatory agent;
antioxidant;
metabolite
robinetin[no description available]medium107-hydroxyflavonol;
pentahydroxyflavone		plant metabolite
tamarixetin[no description available]medium107-hydroxyflavonol;
monomethoxyflavone;
tetrahydroxyflavone		antioxidant;
metabolite
wogonin[no description available]medium10dihydroxyflavone;
monomethoxyflavone		angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite
coumestrol[no description available]medium10coumestans;
delta-lactone;
polyphenol		anti-inflammatory agent;
antioxidant;
plant metabolite
daidzein[no description available]medium407-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite
caffeic acid phenethyl ester[no description available]medium10alkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent
rosmarinic acid[no description available]medium10rosmarinic acidgeroprotector;
plant metabolite
wedelolactone[no description available]medium10aromatic ether;
coumestans;
delta-lactone;
polyphenol		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
hepatoprotective agent;
metabolite
rottlerin[no description available]medium10aromatic ketone;
benzenetriol;
chromenol;
enone;
methyl ketone		anti-allergic agent;
antihypertensive agent;
antineoplastic agent;
apoptosis inducer;
K-ATP channel agonist;
metabolite
7-hydroxyflavone[no description available]medium10hydroxyflavonoid
prostaglandin a1[no description available]medium10prostaglandins A
cerulenin[no description available]medium10epoxide;
monocarboxylic acid amide		antifungal agent;
antiinfective agent;
antilipemic drug;
antimetabolite;
antimicrobial agent;
fatty acid synthesis inhibitor
rhoifolin[no description available]medium10dihydroxyflavone;
glycosyloxyflavone;
neohesperidoside		metabolite
vitexin rhamnoside[no description available]medium10C-glycosyl compound;
disaccharide derivative;
trihydroxyflavone		plant metabolite
domoic acid[no description available]medium10L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid;
tricarboxylic acid		algal metabolite;
hapten;
marine metabolite;
neuromuscular agent;
neurotoxin
isotretinoin[no description available]medium10retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic 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
natamycin[no description available]medium10antibiotic antifungal drug;
dicarboxylic acid monoester;
epoxide;
macrolide antibiotic;
monosaccharide derivative;
polyene antibiotic		antifungal agrochemical;
antimicrobial food preservative;
apoptosis inducer;
bacterial metabolite;
ophthalmology drug
sirolimus[no description available]medium10antibiotic antifungal drug;
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
organic heterotricyclic compound;
secondary alcohol		antibacterial drug;
anticoronaviral agent;
antineoplastic agent;
bacterial metabolite;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
brefeldin a[no description available]medium10macrolide antibioticPenicillium metabolite
cytochalasin b[no description available]medium10cytochalasin;
lactam;
lactone;
organic heterotricyclic compound		actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor
vinorelbine[no description available]medium10acetate ester;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
ring assembly;
vinca alkaloid		antineoplastic agent;
photosensitizing agent
bisdemethoxycurcumin[no description available]medium10beta-diketone;
diarylheptanoid;
enone;
polyphenol		EC 3.2.1.1 (alpha-amylase) inhibitor;
metabolite
andrographolide[no description available]medium10carbobicyclic compound;
gamma-lactone;
labdane diterpenoid;
primary alcohol;
secondary alcohol		anti-HIV agent;
anti-inflammatory drug;
antineoplastic agent;
metabolite
isorhamnetin 3-o-glucoside[no description available]medium10beta-D-glucoside;
glycosyloxyflavone;
monomethoxyflavone;
monosaccharide derivative;
trihydroxyflavone		metabolite
6,7-dihydroxyflavone[no description available]medium10
flavokawain a[no description available]medium10chalcones
flavokawain b[no description available]medium10chalcones;
dimethoxybenzene;
phenols		anti-inflammatory agent;
antileishmanial agent;
antineoplastic agent;
apoptosis inducer;
metabolite
kavain[no description available]medium10racemateglycine receptor antagonist
abscisic acid, (+,-)-isomer[no description available]medium10abscisic acidsabscisic acid receptor agonist
veratrine[no description available]medium10alkaloid
vinblastine sulfate[no description available]medium10
catharanthine[no description available]medium10alkaloid ester;
bridged compound;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound
cytochalasin e[no description available]medium10cytochalasan alkaloidmetabolite
cytochalasin d[no description available]medium10
sinomenine[no description available]medium10morphinane alkaloid
ecdysterone[no description available]medium1014alpha-hydroxy steroid;
20-hydroxy steroid;
22-hydroxy steroid;
25-hydroxy steroid;
2beta-hydroxy steroid;
3beta-sterol;
ecdysteroid;
phytoecdysteroid		animal metabolite;
plant metabolite
bleomycin[no description available]medium10bleomycinantineoplastic agent;
metabolite
bakuchiol[no description available]medium10
zerumbone[no description available]medium10cyclic ketone;
sesquiterpenoid		anti-inflammatory agent;
glioma-associated oncogene inhibitor;
plant metabolite
solanesol[no description available]medium20nonaprenol;
primary alcohol		plant metabolite
(1S,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester[no description available]medium10yohimban alkaloid
n-caproylsphingosine[no description available]medium10N-acylsphingosine
monorden[no description available]medium10cyclic ketone;
enone;
epoxide;
macrolide antibiotic;
monochlorobenzenes;
phenols		antifungal agent;
metabolite;
tyrosine kinase inhibitor
ginkgolide b[no description available]medium10
homatropine hydrobromide, (endo-(+-)-isomer)[no description available]medium10
hydrocotarnine hydrobromide[no description available]medium10
salsolinol hydrobromide[no description available]medium10
lasalocid sodium[no description available]medium10benzoates;
organic sodium salt		coccidiostat;
ionophore
sclerotiorin[no description available]medium10azaphilone
himbacine[no description available]medium10gamma-lactone;
organic heterotricyclic compound;
piperidine alkaloid		muscarinic antagonist
ebelactone b[no description available]medium10
3-o-methylbutein[no description available]medium10chalcones
thermozymocidin[no description available]medium10alpha-amino fatty acid;
hydroxy monocarboxylic acid;
non-proteinogenic alpha-amino acid;
sphingoid		antifungal agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor;
fungal metabolite;
immunosuppressive agent
marein[no description available]medium10flavonoids;
glycoside
hydroxyachillin[no description available]medium10gamma-lactone
butylscopolammonium bromide[no description available]medium10
fumagillin[no description available]medium10antibiotic 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
artesunate[no description available]medium20artemisinin derivative;
cyclic acetal;
dicarboxylic acid monoester;
hemisuccinate;
semisynthetic derivative;
sesquiterpenoid		antimalarial;
antineoplastic agent;
ferroptosis inducer
anisodamine[no description available]medium10
bufalin[no description available]medium1014beta-hydroxy steroid;
3beta-hydroxy steroid		animal metabolite;
anti-inflammatory agent;
antineoplastic agent;
cardiotonic drug
alpha-solanine[no description available]medium10glycoalkaloid;
organic heterohexacyclic compound;
steroid saponin;
trisaccharide derivative		antineoplastic agent;
apoptosis inducer;
phytotoxin;
plant metabolite
apigenin-7-o-rutinoside[no description available]medium10
gambogic acid[no description available]medium10pyranoxanthonesmetabolite
bn 52020[no description available]medium10
carmine[no description available]medium10C-glycosyl compound;
monocarboxylic acid;
tetrahydroxyanthraquinone		animal metabolite;
histological dye
bavachinin[no description available]medium10flavanones
grayanotoxin iii[no description available]medium10
Dihydrotanshinone I[no description available]medium20abietane diterpenoidanticoronaviral agent
calcimycin[no description available]medium10benzoxazole
cinobufagin[no description available]medium10steroid lactone
atropine sulfate[no description available]medium10
cannogenin thevetoside[no description available]medium10cardenolide glycoside
eriodictyol 7-O-beta-D-glucopyranoside[no description available]medium10beta-D-glucoside;
flavanone glycoside;
monosaccharide derivative;
trihydroxyflavanone		plant metabolite;
radical scavenger
hypocrellin a[no description available]medium10
dihydrorobinetin[no description available]medium10
monensin[no description available]medium10
minocycline[no description available]medium10
dicumarol[no description available]medium10hydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist
citrinin[no description available]medium10
vulpinic acid[no description available]medium10butenolide
rifampin[no description available]medium10cyclic ketal;
hydrazone;
N-iminopiperazine;
N-methylpiperazine;
rifamycins;
semisynthetic derivative;
zwitterion		angiogenesis inhibitor;
antiamoebic agent;
antineoplastic agent;
antitubercular agent;
DNA synthesis inhibitor;
EC 2.7.7.6 (RNA polymerase) inhibitor;
Escherichia coli metabolite;
geroprotector;
leprostatic drug;
neuroprotective agent;
pregnane X receptor agonist;
protein synthesis inhibitor
alpha-cyclopiazonic acid[no description available]medium10alpha-cyclopiazonic acids
b 844-39[no description available]medium10diarylmethane
pk 11195[no description available]medium30aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes		antineoplastic agent
jtv519[no description available]medium30
alprazolam[no description available]medium30organochlorine compound;
triazolobenzodiazepine		anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic
dan 2163[no description available]medium30aromatic amide;
aromatic amine;
benzamides;
pyrrolidines;
sulfone		environmental contaminant;
second generation antipsychotic;
xenobiotic
amlexanox[no description available]medium30monocarboxylic acid;
pyridochromene		anti-allergic agent;
anti-ulcer drug;
non-steroidal anti-inflammatory drug
astemizole[no description available]medium30benzimidazoles;
piperidines		anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist
benzbromarone[no description available]medium301-benzofurans;
aromatic ketone		uricosuric drug
bisindolylmaleimide i[no description available]medium30
bufexamac[no description available]medium30aromatic ether;
hydroxamic acid		antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
cadralazine[no description available]medium30organic molecular entity
chlorcyclizine[no description available]medium30diarylmethane
ci 994[no description available]medium30acetamides;
benzamides;
substituted aniline		antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor
cyclosporine[no description available]medium20
fenbendazole[no description available]medium30aryl sulfide;
benzimidazoles;
carbamate ester		antinematodal drug
berotek[no description available]medium10resorcinols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent
go 6976[no description available]medium30indolocarbazole;
organic heterohexacyclic compound		EC 2.7.11.13 (protein kinase C) inhibitor
haloperidol[no description available]medium50aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
homochlorocyclizine[no description available]medium30diarylmethane
hydroxyzine[no description available]medium30hydroxyether;
monochlorobenzenes;
N-alkylpiperazine		anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist
ifenprodil[no description available]medium30piperidines
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone[no description available]medium30naphthalenes
ketamine[no description available]medium30cyclohexanones;
monochlorobenzenes;
secondary amino compound		analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic
ketoprofen[no description available]medium30benzophenones;
oxo monocarboxylic acid		antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic
mebendazole[no description available]medium30aromatic ketone;
benzimidazoles;
carbamate ester		antinematodal drug;
microtubule-destabilising agent;
tubulin modulator
mephenesin[no description available]medium30aromatic ether;
glycerol ether
niclosamide[no description available]medium30benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide		anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor
oxibendazole[no description available]medium30benzimidazoles;
carbamate ester
4-(2'-methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine[no description available]medium30
perphenazine[no description available]medium30N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines		antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
pimobendan[no description available]medium40benzimidazoles;
pyridazinone		cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
ag 1879[no description available]medium30aromatic amine;
monochlorobenzenes;
pyrazolopyrimidine		beta-adrenergic antagonist;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one[no description available]medium20indoles
ro 31-8220[no description available]medium30imidothiocarbamic ester;
indoles;
maleimides		EC 2.7.11.13 (protein kinase C) inhibitor
ropinirole[no description available]medium30indolones;
tertiary amine		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
dopamine agonist
vorinostat[no description available]medium30dicarboxylic acid diamide;
hydroxamic acid		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
2-[4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine[no description available]medium20stilbenoid
trifluperidol[no description available]medium10aromatic ketone
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole[no description available]medium30aromatic primary alcohol;
furans;
indazoles		antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent
zotepine[no description available]medium30dibenzothiepine;
tertiary amino compound		alpha-adrenergic drug;
second generation antipsychotic;
serotonergic drug
benziodarone[no description available]medium30aromatic ketone
trehalose[no description available]medium30trehaloseEscherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
triclocarban[no description available]medium30dichlorobenzene;
monochlorobenzenes;
phenylureas		antimicrobial agent;
antiseptic drug;
disinfectant;
environmental contaminant;
xenobiotic
4-tert-octylphenol[no description available]medium30alkylbenzene
ethamivan[no description available]medium30methoxybenzenes;
phenols
methysergide[no description available]medium30ergoline alkaloid
emetine[no description available]medium40isoquinoline alkaloid;
pyridoisoquinoline		antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor
etonitazene[no description available]medium30
clothiapine[no description available]medium30dibenzothiazepine
benperidol[no description available]medium30aromatic ketone
7-hydroxychlorpromazine[no description available]medium30phenothiazines
thenalidine[no description available]medium30dialkylarylamine;
tertiary amino compound
bromocriptine[no description available]medium30indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist
dexchlorpheniramine[no description available]medium30chlorphenamine
dv 1006[no description available]medium30
climbazole[no description available]medium30aromatic ether;
hemiaminal ether;
imidazoles;
ketone;
monochlorobenzenes
triadimenol[no description available]medium30aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite
amonafide[no description available]medium30isoquinolines
flupirtine[no description available]medium30aminopyridine
chaetochromin[no description available]medium30
enoximone[no description available]medium30aromatic ketone
aripiprazole[no description available]medium30aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone		drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist
indocate[no description available]medium30
N(4)-acetylsulfathiazole[no description available]medium301,3-thiazoles;
acetamides;
sulfonamide		marine xenobiotic metabolite
cyclizine hydrochloride[no description available]medium20
2,3-trimethylene-4-quinazolone[no description available]medium30quinazolines
1,3-dimethyluric acid[no description available]medium30oxopurinemetabolite
danofloxacin[no description available]medium30quinolines
nitrefazole[no description available]medium30imidazoles
methotrimeprazine[no description available]medium30phenothiazines;
tertiary amine		anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist
3-aminophenoxazone[no description available]medium30phenoxazine
3-deazaneplanocin[no description available]medium30
2-chlorodiazepam[no description available]medium30
Polycartine B[no description available]medium30phenazines
aminoquinuride dihydrochloride[no description available]medium30
thioproperazine mesylate[no description available]medium30phenothiazines
n(6)-(delta(2)-isopentenyl)adenine[no description available]medium306-isopentenylaminopurinecytokinin
4-methyl-N-(phenylmethyl)benzenesulfonamide[no description available]medium30sulfonamide
sr141716[no description available]medium30amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles		anti-obesity agent;
appetite depressant;
CB1 receptor antagonist
(6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide[no description available]medium20aromatic ketone
fingolimod[no description available]medium30aminodiol;
primary amino compound		antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist
tesmilifene[no description available]medium30diarylmethane
sr 27897[no description available]medium30indolyl carboxylic acid
norketamine[no description available]medium30organochlorine compound
methotrexate[no description available]medium30dicarboxylic acid;
monocarboxylic acid amide;
pteridines		abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent
4-diethoxyphosphorylmethyl-n-(4-bromo-2-cyanophenyl)benzamide[no description available]medium30
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide[no description available]medium30phenylindole
l 741626[no description available]medium30piperidines
dx 8951[no description available]medium30pyranoindolizinoquinoline
tipifarnib[no description available]medium30imidazoles;
monochlorobenzenes;
primary amino compound;
quinolone		antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor
cyc 202[no description available]medium302,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
avasimibe[no description available]medium30monoterpenoid
l 163191[no description available]medium30
dizocilpine[no description available]medium30secondary amino compound;
tetracyclic antidepressant		anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist
s-benzylcysteine[no description available]medium30S-aryl-L-cysteine zwitterion
lapatinib[no description available]medium30furans;
organochlorine compound;
organofluorine compound;
quinazolines		antineoplastic agent;
tyrosine kinase inhibitor
roxindole[no description available]medium30indolesalpha-adrenergic antagonist;
serotonergic drug
conidendrin[no description available]medium30
Porfiromycine[no description available]medium30mitomycin
nsc 95397[no description available]medium301,4-naphthoquinones
4-methyl-2-quinazolinamine[no description available]medium30
2-glycineamide-5-chlorophenyl-2-pyrryl ketone[no description available]medium30
2,5-bis(5-hydroxymethyl-2-thienyl)furan[no description available]medium30thiophenes
ritonavir[no description available]medium401,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas		antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
Destruxin B[no description available]medium30cyclodepsipeptide
tosylphenylalanyl chloromethyl ketone[no description available]medium30alpha-chloroketone;
sulfonamide		alkylating agent;
serine proteinase inhibitor
2'-c-methylcytidine[no description available]medium40
jp-1302[no description available]medium30
7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one[no description available]medium30benzodiazepine
tenatoprazole[no description available]medium30imidazopyridine
s 1033[no description available]medium30(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
5-[(2-fluoroanilino)methyl]-8-quinolinol[no description available]medium30hydroxyquinoline
benidipine hydrochloride[no description available]medium20
2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one[no description available]medium30quinazolines
chlorprothixene[no description available]medium30chlorprothixene
jrf 12[no description available]medium40
5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester[no description available]medium30methoxybenzenes;
substituted aniline
3-hydroxypyridine, sodium salt[no description available]medium30
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide[no description available]medium30naphthalenecarboxamide
5-[(2-bromoanilino)methyl]-8-quinolinol[no description available]medium30hydroxyquinoline
3-amino-n-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide[no description available]medium30
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline[no description available]medium30aromatic amine
1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinecarboxamide[no description available]medium30piperidinecarboxamide
5-[[2-(trifluoromethyl)anilino]methyl]-8-quinolinol[no description available]medium30hydroxyquinoline
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide[no description available]medium30acetamides;
anilide
5-bromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide[no description available]medium30aromatic amide;
thiophenes
6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-4-pyrimidinone[no description available]medium30dimethoxybenzene
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide[no description available]medium30aromatic amide
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide[no description available]medium30aromatic ether
3-chloro-1-(2,5-dimethoxyphenyl)-4-(1-piperidinyl)pyrrole-2,5-dione[no description available]medium30maleimides
Src Inhibitor-1[no description available]medium30aromatic ether;
polyether;
quinazolines;
secondary amino compound		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one[no description available]medium30dimethoxybenzene
2-phenyl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide[no description available]medium30quinolines
3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine[no description available]medium30pyrroles
bi-78d3[no description available]medium30aryl sulfide
kartogenin[no description available]medium30
vx-745[no description available]medium30aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine		anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
dasatinib[no description available]medium401,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
zd 6474[no description available]medium30aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine		antineoplastic agent;
tyrosine kinase inhibitor
nih-12848[no description available]medium30
2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide[no description available]medium30quinazolines
[1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone[no description available]medium30benzimidazoles
2-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzonitrile[no description available]medium30imidazopyridine
3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one[no description available]medium30aromatic ketone
4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester[no description available]medium30oxopurine
N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester[no description available]medium30organonitrogen compound;
organosulfur compound
6-bromo-2-(4-methylphenyl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide[no description available]medium30quinolines
LSM-1924[no description available]medium30organic heterotricyclic compound;
organooxygen compound
ferrostatin-1[no description available]medium30ethyl ester;
primary arylamine;
substituted aniline		antifungal agent;
antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radiation protective agent;
radical scavenger
6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine[no description available]medium30C-nitro compound
ncgc00099374[no description available]medium30
2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide[no description available]medium30benzamides
mycophenolate mofetil[no description available]medium40carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound		anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug
neticonazole[no description available]medium30aromatic ether;
benzenes;
conazole antifungal drug;
enamine;
imidazole antifungal drug;
imidazoles;
methyl sulfide		antifungal drug;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor
N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine[no description available]medium30endocannabinoid;
N-acylethanolamine 22:6
n-oleoylethanolamine[no description available]medium30endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-acylethanolamine 18:1		EC 3.5.1.23 (ceramidase) inhibitor;
geroprotector;
PPARalpha agonist
alpha-zearalenol[no description available]medium30macrolide
su 9516[no description available]medium30
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine[no description available]medium30triazolopyrimidines
sb 277011[no description available]medium30
sb 223412[no description available]medium30
sr 59230a[no description available]medium30tetralins
3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzamide[no description available]medium30pyrimidines
kn 62[no description available]medium30piperazines
MeJA[no description available]medium30Jasmonate derivatives
1h-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)-[no description available]medium30
pd 161570[no description available]medium30
su 11248[no description available]medium10monocarboxylic acid amide;
pyrroles		angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist
palbociclib[no description available]medium30aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
jnj-7706621[no description available]medium30sulfonamide
virginiamycin factor s1[no description available]medium30cyclodepsipeptide;
macrolide antibiotic		antibacterial drug;
bacterial metabolite
xib 4035[no description available]medium30
belotecan[no description available]medium30pyranoindolizinoquinoline
norgestimate[no description available]medium30ketoxime;
steroid ester;
terminal acetylenic compound		contraceptive drug;
progestin;
synthetic oral contraceptive
b 43[no description available]medium30aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine		EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector
4-(2' methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-fluorobenzamido)ethyl)piperazine[no description available]medium30
methiazole[no description available]medium30benzimidazoles;
carbamate ester
sb 218795[no description available]medium30quinolines
bvt.948[no description available]medium30
a 38503[no description available]medium30
parthenolide[no description available]medium20sesquiterpene lactonedrug allergen;
inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
krn 633[no description available]medium30
5-amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid[no description available]medium30organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
gw 501516[no description available]medium301,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound		carcinogenic agent;
PPARbeta/delta agonist
dolastatin 10[no description available]medium301,3-thiazoles;
tetrapeptide		animal metabolite;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
microtubule-destabilising agent
spc-839[no description available]medium30
midostaurin[no description available]medium40benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound		antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor
nu 7026[no description available]medium30organic heterotricyclic compound;
organooxygen compound
osi 930[no description available]medium30aromatic amide
ticagrelor[no description available]medium30aryl sulfide;
hydroxyether;
organofluorine compound;
secondary amino compound;
triazolopyrimidines		P2Y12 receptor antagonist;
platelet aggregation inhibitor
l 692585[no description available]medium30peptide
pi103[no description available]medium30aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
nnc 26-9100[no description available]medium30aminopyridine
2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine[no description available]medium30
tivozanib[no description available]medium30aromatic ether
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide[no description available]medium30
tae226[no description available]medium30morpholines
gw0742[no description available]medium30monocarboxylic acid
u 18666a[no description available]medium30hydrochlorideantiviral agent;
EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor;
Hedgehog signaling pathway inhibitor;
nicotinic antagonist;
sterol biosynthesis inhibitor
sb 525334[no description available]medium30quinoxaline derivative
bx795[no description available]medium30ureas
azd 6244[no description available]medium40benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea[no description available]medium30
bay 61-3606[no description available]medium30pyrimidines
sd-208[no description available]medium30
crenolanib[no description available]medium30aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
cj 033466[no description available]medium30
cc 401[no description available]medium30pyrazoles;
ring assembly
PB28[no description available]medium40aromatic ether;
piperazines;
tetralins		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist
arterolane[no description available]medium30
cariprazine[no description available]medium30
krp-203[no description available]medium30
regorafenib[no description available]medium30(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide		antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor
at 7867[no description available]medium30monochlorobenzenes;
piperidines;
pyrazoles		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester[no description available]medium30pyrroloquinoline
ptc 124[no description available]medium30oxadiazole;
ring assembly
bi 2536[no description available]medium30
azd 1152[no description available]medium30anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor;
prodrug
carfilzomib[no description available]medium40epoxide;
morpholines;
tetrapeptide		antineoplastic agent;
proteasome inhibitor
idelalisib[no description available]medium30aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
motesanib[no description available]medium30pyridinecarboxamide
pf-562,271[no description available]medium30indoles
gliocladin c[no description available]medium30
sb 706504[no description available]medium30
ku-0060648[no description available]medium30dibenzothiophenes
bgt226[no description available]medium30aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
n-desmethyldanofloxacin[no description available]medium30
rabeprazole sodium[no description available]medium10organic sodium salt
CDN1163[no description available]medium30aromatic ether;
quinolines;
secondary carboxamide		SERCA activator
gsk 269962a[no description available]medium30
pha 848125[no description available]medium30
nvp-bhg712[no description available]medium30benzamides
pf 04217903[no description available]medium30quinolines
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one[no description available]medium30aromatic ketone
ph 797804[no description available]medium30aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone		anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
srt1720[no description available]medium30
purfalcamine[no description available]medium30
bms 754807[no description available]medium30pyrazoles;
pyridines;
pyrrolidines;
pyrrolotriazine		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ponatinib[no description available]medium30(trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine		antineoplastic agent;
tyrosine kinase inhibitor
quizartinib[no description available]medium30benzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor
PP121[no description available]medium30aromatic amine;
cyclopentanes;
pyrazolopyrimidine;
pyrrolopyridine		antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
tyrosine kinase inhibitor
navitoclax[no description available]medium30aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
gsk 650394[no description available]medium40phenylpyridine
dcc-2036[no description available]medium30organofluorine compound;
phenylureas;
pyrazoles;
pyridinecarboxamide;
quinolines		tyrosine kinase inhibitor
cabozantinib[no description available]medium30aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor
TAK-580[no description available]medium301,3-thiazolecarboxamide;
aminopyrimidine;
chloropyridine;
organofluorine compound;
pyrimidinecarboxamide;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor
8-(4-aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one[no description available]medium30chromones
pf 3758309[no description available]medium30organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
5-(2-benzofuranyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine[no description available]medium30aryl sulfide;
thienopyrimidine
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine[no description available]medium40aryl sulfide;
thienopyrimidine
5-bromo-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine[no description available]medium30aryl sulfide;
thienopyrimidine
baricitinib[no description available]medium40azetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide		anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent
6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinamine[no description available]medium30quinazolines
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone[no description available]medium30organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide[no description available]medium30hydroxyquinoline
p505-15[no description available]medium30
mrt67307[no description available]medium30aromatic amine
N-[3-[[5-chloro-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide[no description available]medium30piperazines
ribociclib[no description available]medium30
1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone[no description available]medium30aromatic ketone;
thienopyrimidine
pha 793887[no description available]medium30piperidinecarboxamide
ml228 probe[no description available]medium301,2,4-triazines;
biphenyls;
pyridines;
secondary amino compound		hypoxia-inducible factor pathway activator
pf-03882845[no description available]medium30
jq1 compound[no description available]medium40carboxylic ester;
organochlorine compound;
tert-butyl ester;
thienotriazolodiazepine		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bromodomain-containing protein 4 inhibitor;
cardioprotective agent;
ferroptosis inducer
pf-04620110[no description available]medium30
gsk525762a[no description available]medium40benzodiazepine
torin 1[no description available]medium30N-acylpiperazine;
N-arylpiperazine;
organofluorine compound;
pyridoquinoline;
quinolines		antineoplastic agent;
mTOR inhibitor
abt-199[no description available]medium30aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine		antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea[no description available]medium30ureas
N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)anilino]-1-piperidinecarbothioamide[no description available]medium30(trifluoromethyl)benzenes
ncgc00242364[no description available]medium30quinazolines
gsk1210151a[no description available]medium40imidazoquinoline
hs-173[no description available]medium30
sr1664[no description available]medium30indolecarboxamide
4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-n-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide[no description available]medium30
N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide[no description available]medium20benzamides;
N-acylpiperidine
N-[4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide[no description available]medium20aminoquinoline
cudc-907[no description available]medium40
methacycline monohydrochloride[no description available]medium20
2-[[[4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid[no description available]medium30quinolines
agi-5198[no description available]medium30
cep-32496[no description available]medium30
epz004777[no description available]medium30N-glycosyl compound
3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid[no description available]medium30organonitrogen heterocyclic compound
entecavir[no description available]medium30benzamides;
N-acylpiperidine
gkt137831[no description available]medium30
vx-509[no description available]medium30
vx-970[no description available]medium30sulfonamide
gs-9973[no description available]medium30
amg 925[no description available]medium30
gne-618[no description available]medium30
g007-lk[no description available]medium40
volitinib[no description available]medium30
ML355[no description available]medium30benzothiazoles;
monomethoxybenzene;
phenols;
secondary amino compound;
substituted aniline;
sulfonamide		EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
platelet aggregation inhibitor
acp-196[no description available]medium30aromatic amine;
benzamides;
imidazopyrazine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
ynone		antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
gsk343[no description available]medium30aminopyridine;
indazoles;
N-alkylpiperazine;
N-arylpiperazine;
pyridone;
secondary carboxamide		antineoplastic agent;
apoptosis inducer;
EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor
agi-6780[no description available]medium30
khs101[no description available]medium30
cb-839[no description available]medium40
gsk-j4[no description available]medium30organonitrogen heterocyclic compound
pf-06424439[no description available]medium30
etp-46464[no description available]medium30
onc201[no description available]medium30
kai407[no description available]medium30
6,7-dimethoxy-2-(pyrrolidin-1-yl)-n-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine[no description available]medium30
enasidenib[no description available]medium401,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor
oicr-9429[no description available]medium30
lly-507[no description available]medium30
at 9283[no description available]medium30
hypoxanthine[no description available]medium30nucleobase analogue;
oxopurine;
purine nucleobase		fundamental metabolite
clozapine[no description available]medium30benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound		adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic
1-hydroxyphenazine[no description available]medium30phenazines
ro 24-7429[no description available]medium30benzodiazepine
nintedanib[no description available]medium30
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide[no description available]medium40catechols;
hydrazide;
hydrazone;
naphthols		EC 3.6.5.5 (dynamin GTPase) inhibitor
ver 52296[no description available]medium30aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols		angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor
rvx 208[no description available]medium30
bmn 673[no description available]medium30
carvedilol[no description available]medium20carbazoles;
secondary alcohol;
secondary amino compound		alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
cetirizine[no description available]medium20ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines		anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic
cyclizine[no description available]medium10N-alkylpiperazineantiemetic;
central nervous system depressant;
cholinergic antagonist;
H1-receptor antagonist;
local anaesthetic
zpck[no description available]medium20
indatraline[no description available]medium20indanes
salvinorin a[no description available]medium10organic heterotricyclic compound;
organooxygen compound		metabolite;
oneirogen
niguldipine hydrochloride[no description available]medium20
bardoxolone methyl[no description available]medium10cyclohexenones
trichostatin a[no description available]medium10antibiotic antifungal agent;
hydroxamic acid;
trichostatin		bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector
sitafloxacin[no description available]medium10fluoroquinolone antibiotic;
quinolines;
quinolone antibiotic
benidipine[no description available]medium10
toremifene[no description available]medium10aromatic ether;
organochlorine compound;
tertiary amine		antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide[no description available]medium20indoles
rabeprazole(1-)[no description available]medium20organic nitrogen anion
fenoterol[no description available]medium20hydrobromidebeta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent
gw-5074[no description available]medium10
fk 866[no description available]medium10benzamides;
N-acylpiperidine
valnemulin[no description available]medium20
hki 272[no description available]medium10nitrile;
quinolines		antineoplastic agent;
tyrosine kinase inhibitor
degrasyn[no description available]medium30
azd 1152-hqpa[no description available]medium20anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
Aurora kinase inhibitor
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol[no description available]medium20benzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
mTOR inhibitor
gsk 2334470[no description available]medium10indazoles
birinapant[no description available]medium20dipeptide
methacycline[no description available]medium10
fluorouracil[no description available]medium20nucleobase analogue;
organofluorine compound		antimetabolite;
antineoplastic agent;
environmental contaminant;
immunosuppressive agent;
radiosensitizing agent;
xenobiotic
aminolevulinic acid[no description available]medium104-oxo monocarboxylic acid;
amino acid zwitterion;
delta-amino acid		antineoplastic agent;
dermatologic drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite;
prodrug;
Saccharomyces cerevisiae metabolite
coumarin[no description available]medium10coumarinsfluorescent dye;
human metabolite;
plant metabolite
salicylic acid[no description available]medium10monohydroxybenzoic acidalgal metabolite;
antifungal agent;
antiinfective agent;
EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor;
keratolytic drug;
plant hormone;
plant metabolite
thioctic acid[no description available]medium10dithiolanes;
heterocyclic fatty acid;
thia fatty acid		fundamental metabolite;
geroprotector
picolinic acid[no description available]medium10pyridinemonocarboxylic acidhuman metabolite;
MALDI matrix material
thiamine[no description available]medium10primary alcohol;
vitamin B1		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
3-aminobenzamide[no description available]medium10benzamides;
substituted aniline		EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
pleconaril[no description available]medium10
4-(2-aminoethyl)benzenesulfonylfluoride[no description available]medium10
phenytoin[no description available]medium10imidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
acetazolamide[no description available]medium10monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
alprenolol[no description available]medium10secondary alcohol;
secondary amino compound		anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
sympatholytic agent
amantadine[no description available]medium10adamantanes;
primary aliphatic amine		analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic
2-aminothiazole[no description available]medium101,3-thiazoles;
primary amino compound
amodiaquine[no description available]medium10aminoquinoline;
organochlorine compound;
phenols;
secondary amino compound;
tertiary amino compound		anticoronaviral agent;
antimalarial;
drug allergen;
EC 2.1.1.8 (histamine N-methyltransferase) inhibitor;
non-steroidal anti-inflammatory drug;
prodrug
aspirin[no description available]medium10benzoic acids;
phenyl acetates;
salicylates		anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent
baclofen[no description available]medium10amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound		central nervous system depressant;
GABA agonist;
muscle relaxant
benzamide[no description available]medium10benzamides
camostat[no description available]medium10benzoate ester;
carboxylic ester;
diester;
guanidines;
tertiary carboxamide		anti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor
camphor, (+-)-isomer[no description available]medium10bornane monoterpenoid;
cyclic monoterpene ketone		plant metabolite
candesartan[no description available]medium10benzimidazolecarboxylic acid;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
cetylpyridinium[no description available]medium10pyridinium ion
chloroxylenol[no description available]medium10monochlorobenzenes;
phenols		antiseptic drug;
disinfectant;
molluscicide
chlorpromazine[no description available]medium10organochlorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
ciprofibrate[no description available]medium10cyclopropanes;
monocarboxylic acid;
organochlorine compound		antilipemic drug
clomipramine[no description available]medium10dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
danthron[no description available]medium10dihydroxyanthraquinoneapoptosis inducer;
plant metabolite
deferiprone[no description available]medium104-pyridonesiron chelator;
protective agent
dipyridamole[no description available]medium10piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol		adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
disulfiram[no description available]medium10organic disulfide;
organosulfur acaricide		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor
valproic acid[no description available]medium10branched-chain fatty acid;
branched-chain saturated fatty acid		anticonvulsant;
antimanic drug;
EC 3.5.1.98 (histone deacetylase) inhibitor;
GABA agent;
neuroprotective agent;
psychotropic drug;
teratogenic agent
doxazosin[no description available]medium10aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines		alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent
ebselen[no description available]medium10benzoselenazoleanti-inflammatory drug;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 3.5.4.1 (cytosine deaminase) inhibitor;
EC 5.1.3.2 (UDP-glucose 4-epimerase) inhibitor;
enzyme mimic;
ferroptosis inhibitor;
genotoxin;
hepatoprotective agent;
neuroprotective agent;
radical scavenger
etidronate[no description available]medium101,1-bis(phosphonic acid)antineoplastic agent;
bone density conservation agent;
chelator
2-hexyloxybenzamide[no description available]medium10aromatic ether;
benzamides		antifungal agent
brl 42810[no description available]medium102-aminopurines;
acetate ester		antiviral drug;
prodrug
fluphenazine[no description available]medium10N-alkylpiperazine;
organofluorine compound;
phenothiazines		anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
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
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
indomethacin[no description available]medium10aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole		analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic metabolite;
xenobiotic
avapro[no description available]medium10azaspiro compound;
biphenylyltetrazole		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
itraconazole[no description available]medium10piperazines
kojic acid[no description available]medium104-pyranones;
enol;
primary alcohol		Aspergillus metabolite;
EC 1.10.3.1 (catechol oxidase) inhibitor;
EC 1.10.3.2 (laccase) inhibitor;
EC 1.13.11.24 (quercetin 2,3-dioxygenase) inhibitor;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 1.4.3.3 (D-amino-acid oxidase) inhibitor;
NF-kappaB inhibitor;
skin lightening agent
lapachol[no description available]medium10
loperamide[no description available]medium10monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol		anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist
loratadine[no description available]medium10benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide		anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
losartan[no description available]medium10biphenylyltetrazole;
imidazoles		angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide[no description available]medium10benzamides;
hydroxamic acid;
secondary carboxamide;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
mafenide[no description available]medium10aromatic amine
methazolamide[no description available]medium10sulfonamide;
thiadiazoles
methocarbamol[no description available]medium10aromatic ether;
carbamate ester;
secondary alcohol
mitoxantrone[no description available]medium10dihydroxyanthraquinoneanalgesic;
antineoplastic agent
entinostat[no description available]medium10benzamides;
carbamate ester;
primary amino compound;
pyridines;
substituted aniline		antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
ethylmaleimide[no description available]medium10maleimidesanticoronaviral agent;
EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor;
EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor;
EC 2.7.1.1 (hexokinase) inhibitor
nabumetone[no description available]medium10methoxynaphthalene;
methyl ketone		cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
nafamostat[no description available]medium10benzoic acids;
guanidines
nevirapine[no description available]medium10cyclopropanes;
dipyridodiazepine		antiviral drug;
HIV-1 reverse transcriptase inhibitor
omeprazole[no description available]medium10aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
osalmide[no description available]medium10organic molecular entity
oxethazaine[no description available]medium10amino acid amide
palmidrol[no description available]medium10endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-(saturated fatty acyl)ethanolamine		anti-inflammatory drug;
anticonvulsant;
antihypertensive agent;
neuroprotective agent
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
pj-34[no description available]medium10phenanthridines;
secondary carboxamide;
tertiary amino compound		angiogenesis inhibitor;
anti-inflammatory agent;
antiatherosclerotic agent;
antineoplastic agent;
apoptosis inducer;
cardioprotective agent;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
neuroprotective agent
praziquantel[no description available]medium10isoquinolines
probenecid[no description available]medium10benzoic acids;
sulfonamide		uricosuric drug
probucol[no description available]medium10dithioketal;
polyphenol		anti-inflammatory drug;
anticholesteremic drug;
antilipemic drug;
antioxidant;
cardiovascular drug
promazine[no description available]medium10phenothiazines;
tertiary amine		antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist
promethazine[no description available]medium10phenothiazines;
tertiary amine		anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
propranolol[no description available]medium10naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
rimantadine[no description available]medium10alkylamine
rolipram[no description available]medium10pyrrolidin-2-onesantidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
scriptaid[no description available]medium10isoquinolines
sebacic acid[no description available]medium10alpha,omega-dicarboxylic acid;
dicarboxylic fatty acid		human metabolite;
plant metabolite
fenofibrate[no description available]medium10benzochromenone;
delta-lactone;
naphtho-alpha-pyrone		platelet aggregation inhibitor;
Sir2 inhibitor
imatinib[no description available]medium10aromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines		antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
suprofen[no description available]medium10aromatic ketone;
monocarboxylic acid;
thiophenes		antirheumatic drug;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug
thalidomide[no description available]medium10phthalimides;
piperidones
ticlopidine[no description available]medium10monochlorobenzenes;
thienopyridine		anticoagulant;
fibrin modulating drug;
hematologic agent;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
triamterene[no description available]medium10pteridinesdiuretic;
sodium channel blocker
trifluoperazine[no description available]medium10N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines		antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug
triflupromazine[no description available]medium10organofluorine compound;
phenothiazines;
tertiary amine		anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
trigonelline[no description available]medium10alkaloid;
iminium betaine		food component;
human urinary metabolite;
plant metabolite
trimethobenzamide[no description available]medium10benzamides;
tertiary amino compound		antiemetic
trimethoprim[no description available]medium10aminopyrimidine;
methoxybenzenes		antibacterial drug;
diuretic;
drug allergen;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
environmental contaminant;
xenobiotic
tyrphostin a9[no description available]medium10alkylbenzenegeroprotector
delavirdine[no description available]medium10aminopyridine;
indolecarboxamide;
N-acylpiperazine;
sulfonamide		antiviral drug;
HIV-1 reverse transcriptase inhibitor
vesnarinone[no description available]medium10organic molecular entity
idoxuridine[no description available]medium10organoiodine compound;
pyrimidine 2'-deoxyribonucleoside		antiviral drug;
DNA synthesis inhibitor
chloramphenicol[no description available]medium10C-nitro compound;
carboxamide;
diol;
organochlorine compound		antibacterial drug;
antimicrobial agent;
Escherichia coli metabolite;
geroprotector;
Mycoplasma genitalium metabolite;
protein synthesis inhibitor
lysine[no description available]medium10aspartate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
lysine;
organic molecular entity;
proteinogenic amino acid		algal metabolite;
anticonvulsant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
phenylethyl alcohol[no description available]medium10benzenes;
primary alcohol		Aspergillus metabolite;
fragrance;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite
zoxazolamine[no description available]medium10benzoxazole
ficusin[no description available]medium10psoralensplant 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
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
chrysophanic acid[no description available]medium10dihydroxyanthraquinoneanti-inflammatory agent;
antiviral agent;
plant metabolite
flavanone[no description available]medium10flavanones
phloretic acid[no description available]medium10hydroxy monocarboxylic acidplant 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]medium20acetylcysteine;
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
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
arctigenin[no description available]medium10lignan
baicalin[no description available]medium10dihydroxyflavone;
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative		antiatherosclerotic agent;
antibacterial agent;
anticoronaviral agent;
antineoplastic agent;
antioxidant;
cardioprotective agent;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
ferroptosis inhibitor;
neuroprotective agent;
non-steroidal anti-inflammatory drug;
plant metabolite;
prodrug
plerixafor[no description available]medium10azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound		anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant
amprenavir[no description available]medium10carbamate ester;
sulfonamide;
tetrahydrofuryl ester		antiviral drug;
HIV protease inhibitor
oseltamivir[no description available]medium10acetamides;
amino acid ester;
cyclohexenecarboxylate ester;
primary amino compound		antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor;
environmental contaminant;
prodrug;
xenobiotic
1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose[no description available]medium10gallate ester;
galloyl beta-D-glucose		anti-inflammatory agent;
antineoplastic agent;
geroprotector;
hepatoprotective agent;
plant metabolite;
radiation protective agent;
radical scavenger
cephalotaxine[no description available]medium10benzazepine alkaloid fundamental parent;
benzazepine alkaloid;
cyclic acetal;
enol ether;
organic heteropentacyclic compound;
secondary alcohol;
tertiary amino compound
desipramine hydrochloride[no description available]medium10hydrochloridedrug allergen
mefloquine hydrochloride[no description available]medium10hydrochloride
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
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
nobiletin[no description available]medium10methoxyflavoneantineoplastic agent;
plant metabolite
lycorine[no description available]medium10indolizidine alkaloidanticoronaviral agent;
antimalarial;
plant metabolite;
protein synthesis inhibitor
leupeptin[no description available]medium10aldehyde;
tripeptide		bacterial metabolite;
calpain inhibitor;
cathepsin B inhibitor;
EC 3.4.21.4 (trypsin) inhibitor;
serine protease inhibitor
calpeptin[no description available]medium10amino acid amide
fangchinoline[no description available]medium10aromatic ether;
bisbenzylisoquinoline alkaloid;
macrocycle		anti-HIV-1 agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
neuroprotective agent;
plant metabolite
maslinic acid[no description available]medium10dihydroxy monocarboxylic acid;
pentacyclic triterpenoid		anti-inflammatory agent;
antineoplastic agent;
antioxidant;
plant metabolite
atovaquone[no description available]medium10hydroxy-1,2-naphthoquinone
loganin[no description available]medium10beta-D-glucoside;
cyclopentapyran;
enoate ester;
iridoid monoterpenoid;
methyl ester;
monosaccharide derivative;
secondary alcohol		anti-inflammatory agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
EC 3.4.23.46 (memapsin 2) inhibitor;
neuroprotective agent;
plant metabolite
moexipril[no description available]medium10peptide
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
sophocarpine[no description available]medium10
marimastat[no description available]medium10hydroxamic acid;
secondary carboxamide		antineoplastic agent;
matrix metalloproteinase inhibitor
elacridar[no description available]medium10
vadimezan[no description available]medium10monocarboxylic acid;
xanthones		antineoplastic agent
umifenovir[no description available]medium10indolyl carboxylic acid
safinamide[no description available]medium10amino acid amide
ilomastat[no description available]medium10hydroxamic acid;
L-tryptophan derivative;
N-acyl-amino acid		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
EC 3.4.24.24 (gelatinase A) inhibitor;
neuroprotective agent
atazanavir[no description available]medium10carbohydrazideantiviral drug;
HIV protease inhibitor
vx 497[no description available]medium10
bcx 1812[no description available]medium103-hydroxy monocarboxylic acid;
acetamides;
cyclopentanols;
guanidines		antiviral drug;
EC 3.2.1.18 (exo-alpha-sialidase) inhibitor
naproxen[no description available]medium10methoxynaphthalene;
monocarboxylic acid		antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
environmental contaminant;
gout suppressant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
olmesartan[no description available]medium10biphenylyltetrazoleangiotensin receptor antagonist;
antihypertensive agent
telbivudine[no description available]medium10pyrimidine 2'-deoxyribonucleosideantiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
celastrol methyl ester[no description available]medium10carboxylic ester
resiquimod[no description available]medium10imidazoquinoline
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
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
4-n-butylresorcinol[no description available]medium10resorcinols
darunavir[no description available]medium10carbamate ester;
furofuran;
sulfonamide		antiviral drug;
HIV protease inhibitor
dapivirine[no description available]medium10
nsc 74859[no description available]medium10amidobenzoic acid;
monohydroxybenzoic acid;
tosylate ester		STAT3 inhibitor
berbamine[no description available]medium10bisbenzylisoquinoline alkaloid;
isoquinolines
u-104[no description available]medium10
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one[no description available]medium10glycoside
bortezomib[no description available]medium10amino acid amide;
L-phenylalanine derivative;
pyrazines		antineoplastic agent;
antiprotozoal drug;
protease inhibitor;
proteasome inhibitor
tizoxanide[no description available]medium10salicylamides
saquinavir[no description available]medium10L-asparagine derivative;
quinolines		antiviral drug;
HIV protease inhibitor
abacavir[no description available]medium102,6-diaminopurinesantiviral drug;
drug allergen;
HIV-1 reverse transcriptase inhibitor
linezolid[no description available]medium10acetamides;
morpholines;
organofluorine compound;
oxazolidinone		antibacterial drug;
protein synthesis inhibitor
cephaelin[no description available]medium10pyridoisoquinoline
(-)-usnic acid[no description available]medium10usnic acidEC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor
acetylleucyl-leucyl-norleucinal[no description available]medium10aldehyde;
tripeptide		cysteine protease inhibitor
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
h 89[no description available]medium10N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
bevirimat[no description available]medium10dicarboxylic acid monoester;
monocarboxylic acid;
pentacyclic triterpenoid		HIV-1 maturation inhibitor;
metabolite
benzyloxycarbonylleucyl-leucyl-leucine aldehyde[no description available]medium10amino aldehyde;
carbamate ester;
tripeptide		proteasome inhibitor
tenofovir[no description available]medium10nucleoside analogue;
phosphonic acids		antiviral drug;
drug metabolite;
HIV-1 reverse transcriptase inhibitor
posaconazole[no description available]medium10aromatic ether;
conazole antifungal drug;
N-arylpiperazine;
organofluorine compound;
oxolanes;
triazole antifungal drug;
triazoles		trypanocidal drug
gw 257406x[no description available]medium10
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
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
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
curcumin[no description available]medium10aromatic 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
zucapsaicin[no description available]medium10methoxybenzenes;
phenols
nbd 556[no description available]medium10
thioguanine anhydrous[no description available]medium102-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent
4,5,6,7-tetrachloroindan-1,3-dione[no description available]medium10
srpin340[no description available]medium10
pr-619[no description available]medium10
p5091[no description available]medium10
trovirdine[no description available]medium10
fti 277[no description available]medium10
u 0126[no description available]medium10aryl sulfide;
dinitrile;
enamine;
substituted aniline		antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent
vicriviroc[no description available]medium10(trifluoromethyl)benzenes
telaprevir[no description available]medium10cyclopentapyrrole;
cyclopropanes;
oligopeptide;
pyrazines		antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic
yya-021[no description available]medium10
sb 415286[no description available]medium10C-nitro compound;
maleimides;
monochlorobenzenes;
phenols;
secondary amino compound;
substituted aniline		antioxidant;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
sitagliptin[no description available]medium10triazolopyrazine;
trifluorobenzene		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic
tak-220[no description available]medium10
jtk-303[no description available]medium10aromatic ether;
monochlorobenzenes;
organofluorine compound;
quinolinemonocarboxylic acid;
quinolone		HIV-1 integrase inhibitor
nbd 557[no description available]medium10
5'-o-caffeoylquinic acid[no description available]medium10cinnamate ester;
cyclitol carboxylic acid		plant metabolite
luteolin-7-glucoside[no description available]medium10beta-D-glucoside;
glycosyloxyflavone;
monosaccharide derivative;
trihydroxyflavone		antioxidant;
plant metabolite
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
entacapone[no description available]medium102-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile		antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
amentoflavone[no description available]medium10biflavonoid;
hydroxyflavone;
ring assembly		angiogenesis inhibitor;
antiviral agent;
cathepsin B inhibitor;
P450 inhibitor;
plant metabolite
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
kaempferide[no description available]medium107-hydroxyflavonol;
monomethoxyflavone;
trihydroxyflavone		antihypertensive agent;
metabolite
orientin[no description available]medium103'-hydroxyflavonoid;
C-glycosyl compound;
tetrahydroxyflavone		antioxidant;
metabolite
scutellarein[no description available]medium10tetrahydroxyflavonemetabolite
trans-2,3',4,5'-tetrahydroxystilbene[no description available]medium10stilbenoid
polydatin[no description available]medium10beta-D-glucoside;
monosaccharide derivative;
polyphenol;
stilbenoid		anti-arrhythmia drug;
antioxidant;
geroprotector;
hepatoprotective agent;
metabolite;
nephroprotective agent;
potassium channel modulator
chicoric acid[no description available]medium10organooxygen compoundgeroprotector;
HIV-1 integrase inhibitor
acteoside[no description available]medium10catechols;
cinnamate ester;
disaccharide derivative;
glycoside;
polyphenol		anti-inflammatory agent;
antibacterial agent;
antileishmanial agent;
neuroprotective agent;
plant metabolite
dorzolamide[no description available]medium10sulfonamide;
thiophenes		antiglaucoma drug;
antihypertensive agent;
EC 4.2.1.1 (carbonic anhydrase) inhibitor
topiramate[no description available]medium10cyclic ketal;
ketohexose derivative;
sulfamate ester		anticonvulsant;
sodium channel blocker
benzyloxycarbonyl-phe-ala-fluormethylketone[no description available]medium10
n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester[no description available]medium10carboxylic ester;
difluorobenzene;
dipeptide;
tert-butyl ester		EC 3.4.23.46 (memapsin 2) inhibitor
casticin[no description available]medium10dihydroxyflavone;
tetramethoxyflavone		apoptosis inducer;
plant metabolite
5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one[no description available]medium10dihydroxyflavone;
monomethoxyflavone		antineoplastic agent;
EC 1.14.13.39 (nitric oxide synthase) inhibitor
(E)-2,3,5,4'-tetrahydroxystilbene-2-O-beta-D-glucoside[no description available]medium10beta-D-glucoside;
resorcinols;
stilbenoid		anti-inflammatory agent;
antioxidant;
apoptosis inhibitor;
cardioprotective agent;
cyclooxygenase 2 inhibitor;
platelet aggregation inhibitor
tyrphostin ag 555[no description available]medium10
pd 151746[no description available]medium10
lisinopril[no description available]medium10dipeptideEC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor
verteporfin[no description available]medium10
batimastat[no description available]medium10hydroxamic acid;
L-phenylalanine derivative;
organic sulfide;
secondary carboxamide;
thiophenes;
triamide		angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor
indinavir sulfate[no description available]medium10dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide		HIV protease inhibitor
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
(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
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
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
odanacatib[no description available]medium10
apilimod[no description available]medium10
apixaban[no description available]medium10aromatic ether;
lactam;
piperidones;
pyrazolopyridine		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
betrixaban[no description available]medium10benzamides;
guanidines;
monochloropyridine;
monomethoxybenzene;
secondary carboxamide		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor
edoxaban[no description available]medium10chloropyridine;
monocarboxylic acid amide;
tertiary amino compound;
thiazolopyridine		anticoagulant;
EC 3.4.21.6 (coagulation factor Xa) inhibitor;
platelet aggregation inhibitor
saracatinib[no description available]medium10aromatic ether;
benzodioxoles;
diether;
N-methylpiperazine;
organochlorine compound;
oxanes;
quinazolines;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
radiosensitizing agent
n-(3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl)-3-(2-((((1,1-dimethylethyl)amino)carbonyl)amino)-3,3-dimethyl-1-oxobutyl)-6,6-dimethyl-3-azabicyclo(3.1.0)hexan-2-carboxamide[no description available]medium10tripeptide;
ureas		antiviral drug;
hepatitis C protease inhibitor;
peptidomimetic
ly 411575[no description available]medium10dibenzoazepine;
difluorobenzene;
lactam;
secondary alcohol		EC 3.4.23.46 (memapsin 2) inhibitor
galidesivir[no description available]medium10
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
hcv 796[no description available]medium10
resminostat[no description available]medium10
zk 756326[no description available]medium10aromatic ether
balapiravir[no description available]medium10
trametinib[no description available]medium10acetamides;
aromatic amine;
cyclopropanes;
organofluorine compound;
organoiodine compound;
pyridopyrimidine;
ring assembly		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector
deoxyarbutin[no description available]medium10
abexinostat[no description available]medium10benzofurans
silvestrol[no description available]medium10dioxanes;
ether;
methyl ester;
organic heterotricyclic compound		antineoplastic agent;
metabolite
narlaprevir[no description available]medium10azabicyclohexane;
cyclopropanes;
pyrrolidinecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide;
ureas		anticoronaviral agent;
antiviral drug;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
hepatitis C protease inhibitor
teneligliptin[no description available]medium10amino acid amide
dextrothyroxine[no description available]medium10
veliparib[no description available]medium10benzimidazolesEC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
pf 03491390[no description available]medium10
alloin[no description available]medium10anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols		laxative;
metabolite
mdv 3100[no description available]medium10(trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound		androgen antagonist;
antineoplastic agent
bms-650032[no description available]medium10oligopeptide
rg 7128[no description available]medium10
oritavancin[no description available]medium10disaccharide derivative;
glycopeptide;
semisynthetic derivative		antibacterial drug;
antimicrobial agent
pevonedistat[no description available]medium10cyclopentanols;
indanes;
pyrrolopyrimidine;
secondary amino compound;
sulfamidate		antineoplastic agent;
apoptosis inducer
uk 453,061[no description available]medium10aromatic ether
N-(2-aminophenyl)-2-pyrazinecarboxamide[no description available]medium10aromatic amide
tegobuvir[no description available]medium10
pf-429242[no description available]medium10
olaparib[no description available]medium10cyclopropanes;
monofluorobenzenes;
N-acylpiperazine;
phthalazines		antineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor
cx 4945[no description available]medium10
pci 34051[no description available]medium10indolecarboxamide
lomibuvir[no description available]medium10thiophenecarboxylic acid
delanzomib[no description available]medium10C-terminal boronic acid peptide;
phenylpyridine;
secondary alcohol;
threonine derivative		antineoplastic agent;
apoptosis inducer;
proteasome inhibitor
pitavastatin(1-)[no description available]medium10hydroxy monocarboxylic acid anion
GRL-0617[no description available]medium10benzamides;
naphthalenes;
secondary carboxamide;
substituted aniline		anticoronaviral agent;
protease inhibitor
N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]-oxomethyl]-5-isoxazolyl]phenyl]carbamic acid tert-butyl ester[no description available]medium10carbamate ester
niraparib[no description available]medium102-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamideantineoplastic agent;
apoptosis inducer;
EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor;
radiosensitizing agent
jzl 184[no description available]medium10benzodioxoles
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
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
1-(5-((2,4-difluorophenyl)thio)-4-nitrothiophen-2-yl)ethanone[no description available]medium10
ML240[no description available]medium10aromatic amine;
aromatic ether;
benzimidazoles;
primary amino compound;
quinazolines;
secondary amino compound		antineoplastic agent
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
i-bet726[no description available]medium10
acy-1215[no description available]medium10pyrimidinecarboxylic acid
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
4-((1-butyl-3-phenylureido)methyl)-n-hydroxybenzamide[no description available]medium10
selinexor[no description available]medium10
verdinexor[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
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
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
serine[no description available]medium10L-alpha-amino acid;
proteinogenic amino acid;
serine family amino acid;
serine zwitterion;
serine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
tyrosine[no description available]medium10amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
tyrosine		EC 1.3.1.43 (arogenate dehydrogenase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical
lactic acid[no description available]medium302-hydroxy monocarboxylic acidalgal metabolite;
Daphnia magna metabolite
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
gefitinib[no description available]medium10aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound		antineoplastic agent;
epidermal growth factor receptor antagonist
thiourea[no description available]medium10one-carbon compound;
thioureas;
ureas		antioxidant;
chromophore
iridium[no description available]medium10cobalt group element atom;
platinum group metal atom
palladium[no description available]medium20metal allergen;
nickel group element atom;
platinum group metal atom
homochelidonine[no description available]medium50benzophenanthridine alkaloid
indole[no description available]medium10indole;
polycyclic heteroarene		Escherichia coli metabolite
strychnine[no description available]medium10monoterpenoid indole alkaloid;
organic heteroheptacyclic compound		avicide;
cholinergic antagonist;
glycine receptor antagonist;
neurotransmitter agent;
rodenticide
akuammicine[no description available]medium10methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		plant metabolite
chelerythrine[no description available]medium70benzophenanthridine alkaloid;
organic cation		antibacterial agent;
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor
1-anilino-8-naphthalenesulfonate[no description available]medium10aminonaphthalene;
naphthalenesulfonic acid		fluorescent probe
dihydrosanguinarine[no description available]medium10benzophenanthridine alkaloidantifungal agent;
metabolite
(+-)stylopine[no description available]medium10
cadmium chloride[no description available]medium10cadmium coordination entity
protopine[no description available]medium60dibenzazecine alkaloidplant metabolite
methanol[no description available]medium10alkyl alcohol;
one-carbon compound;
primary alcohol;
volatile organic compound		amphiprotic solvent;
Escherichia coli metabolite;
fuel;
human metabolite;
mouse metabolite;
Mycoplasma genitalium metabolite
cadmium[no description available]medium10cadmium molecular entity;
zinc group element atom
benzyne[no description available]medium10aryne;
benzyne
morphine[no description available]medium10morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound		anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
formaldehyde[no description available]medium10aldehyde;
one-carbon compound		allergen;
carcinogenic agent;
disinfectant;
EC 3.5.1.4 (amidase) inhibitor;
environmental contaminant;
Escherichia coli metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
cytochrome c-t[no description available]medium10
cyclosporine[no description available]medium10
hydrastinine[no description available]medium10
carbachol[no description available]medium10ammonium salt;
carbamate ester		cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic
coptisine[no description available]medium10alkaloidmetabolite
kynuramine[no description available]medium10kynurenamines;
primary amino compound		metabolite
phenanthrenes[no description available]medium10
apomorphine[no description available]medium10aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug
amphetamine[no description available]medium10primary amine
5-hydroxytryptophan[no description available]medium10hydroxytryptophanhuman metabolite;
neurotransmitter
racemetirosine[no description available]medium10
fagaronine[no description available]low00benzophenanthridine alkaloidmutagen
chelirubine[no description available]low00benzophenanthridine alkaloid;
organic cation
corynoline[no description available]low00benzophenanthridine alkaloid;
cyclic acetal;
isoquinolines;
organic heterohexacyclic compound;
secondary alcohol		antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
hepatoprotective agent;
metabolite
acetylcorynoline[no description available]low00benzophenanthridine alkaloid
dihydrochelerythrine[no description available]low00benzophenanthridine alkaloid
liriodenine[no description available]low00alkaloid antibiotic;
cyclic ketone;
organic heteropentacyclic compound;
oxacycle;
oxoaporphine alkaloid		antifungal agent;
antimicrobial agent;
antineoplastic agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite
dictamnine[no description available]low00alkaloid antibiotic;
organic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
cryptopleurine[no description available]low00alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		antineoplastic agent;
antiviral agent;
protein synthesis inhibitor
lysicamine[no description available]low00alkaloid antibiotic;
oxoaporphine alkaloid		metabolite
solasodine[no description available]low00alkaloid antibiotic;
azaspiro compound;
hemiaminal ether;
oxaspiro compound;
sapogenin;
steroid alkaloid		anticonvulsant;
antifungal agent;
antiinfective agent;
antioxidant;
antipyretic;
antispermatogenic agent;
apoptosis inducer;
cardiotonic drug;
central nervous system depressant;
diuretic;
immunomodulator;
plant metabolite;
teratogenic agent
antofine[no description available]low00alkaloid antibiotic;
alkaloid;
aromatic ether;
organic heteropentacyclic compound		angiogenesis inhibitor;
anti-inflammatory agent;
antimicrobial agent;
antineoplastic agent;
antiviral agent;
phytotoxin;
plant metabolite
dehydrotomatine[no description available]low00alkaloid antibiotic;
glycoside;
steroid alkaloid;
tetrasaccharide derivative		antifungal agent;
phytotoxin;
plant metabolite
ConditionIndicatedRelationship StrengthStudiesTrials
Acute Liver Injury, Drug-Induced0low10
Arthritis, Degenerative0low10
Arthroses0low10
Arthrosis0low10
Asthma0low10
Asthma, Bronchial0low10
ATLL0low10
Benign Neoplasms0low30
Bertielliasis0low10
Breast Cancer0low30
Breast Carcinoma0low30
Breast Neoplasms0low30
Breast Tumors0low30
Bronchial Asthma0low10
Cadmium Poisoning0low10
Cancer0low30
Cancer of Breast0low30
Cancer of Lung0low10
Cancer of Pancreas0low10
Cancer of Stomach0low10
Cancer of the Breast0low30
Cancer of the Lung0low10
Cancer of the Pancreas0low10
Cancer of the Stomach0low10
Carcinoma0low10
Carcinoma, Anaplastic0low10
Carcinoma, Ehrlich Tumor0low10
Carcinoma, Non-Small Cell Lung0low10
Carcinoma, Non-Small-Cell Lung0low10
Carcinoma, Spindle-Cell0low10
Carcinoma, Undifferentiated0low10
Carcinomatosis0low10
Caries, Dental0low10
Carious Dentin0low10
Carious Lesions0low10
Cenuriasis0low10
Cestode Infections0low10
Chemical and Drug Induced Liver Injury0low10
Chemically-Induced Liver Toxicity0low10
Coenuriasis0low10
Congenital Zika Syndrome0low10
Congenital Zika Virus Infection0low10
Decay, Dental0low10
Dental Caries0low10
Dental Decay0low10
Dental White Spot0low10
Dental White Spots0low10
Dipylidiasis0low10
Disease Models, Animal0low20
Drug-Induced Acute Liver Injury0low10
Drug-Induced Liver Disease0low10
Drug-Induced Liver Injury0low10
Ehrlich Ascites Tumor0low10
Eosinophilia0low10
Eosinophilia, Tropical0low10
Epithelial Neoplasms, Malignant0low10
Epithelial Tumors, Malignant0low10
Epithelioma0low10
Fever, Zika0low10
Fish Diseases0low10
Gall Bladder Diseases0low10
Gallbladder Diseases0low10
Gastric Cancer0low10
Gastric Cancer, Familial Diffuse0low10
Gastric Neoplasms0low10
Hepatitis, Drug-Induced0low10
Hepatitis, Toxic0low10
HTLV I Associated T Cell Leukemia Lymphoma0low10
HTLV-Associated Leukemia-Lymphoma0low10
HTLV-I-Associated T-Cell Leukemia-Lymphoma0low10
Human Mammary Carcinoma0low30
Human T Lymphotropic Virus Associated Leukemia Lymphoma0low10
Human T Lymphotropic Virus-Associated Leukemia-Lymphoma0low10
Human T-Cell Leukemia-Lymphoma0low10
Inflammation0low20
Innate Inflammatory Response0low20
Invasiveness, Neoplasm0low10
Itai-Itai0low10
Leucocythaemia0low10
Leucocythemia0low10
Leukemia0low10
Leukemia Lymphoma, Adult T Cell0low10
Leukemia Lymphoma, T Cell, Acute, HTLV I Associated0low10
Leukemia-Lymphoma, Adult T-Cell0low10
Leukemia-Lymphoma, T-Cell, Acute, HTLV-I-Associated0low10
Leukemia, Adult T-Cell0low10
Liver Diseases0low10
Liver Dysfunction0low10
Liver Injury, Drug-Induced0low10
Liver Injury, Drug-Induced, Acute0low10
Lung Cancer0low10
Lung Neoplasms0low10
Malignancy0low30
Malignant Epithelial Neoplasms0low10
Malignant Melanoma0low20
Malignant Neoplasm of Breast0low30
Malignant Neoplasms0low30
Malignant Tumor of Breast0low30
Mammary Cancer0low30
Mammary Carcinoma, Human0low30
Mammary Neoplasm, Human0low30
Mammary Neoplasms, Human0low30
Melanoma0low20
Muscle Relaxation0low10
Necrosis0low10
Neoplasia0low30
Neoplasm0low30
Neoplasm Invasion0low10
Neoplasm Invasiveness0low10
Neoplasms0low30
Neoplasms, Benign0low30
Neoplasms, Breast0low30
Neoplasms, Gastric0low10
Neoplasms, Lung0low10
Neoplasms, Malignant Epithelial0low10
Neoplasms, Pancreatic0low10
Neoplasms, Pulmonary0low10
Neoplasms, Stomach0low10
Non-Small Cell Lung Cancer0low10
Non-Small Cell Lung Carcinoma0low10
Non-Small-Cell Lung Carcinoma0low10
Nonsmall Cell Lung Cancer0low10
Osteoarthritis0low10
Osteoarthrosis0low10
Osteoarthrosis Deformans0low10
Pancreas Cancer0low10
Pancreas Neoplasms0low10
Pancreatic Cancer0low10
Pancreatic Neoplasms0low10
Poisoning, Cadmium0low10
Pulmonary Cancer0low10
Pulmonary Neoplasms0low10
Raillietiniasis0low10
Sarcoma 1800low10
Sarcoma 180, Crocker0low10
Stomach Cancer0low10
Stomach Neoplasms0low10
T Cell Leukemia Lymphoma, HTLV I Associated0low10
T Cell Leukemia, Adult0low10
T-Cell Leukemia-Lymphoma, Adult0low10
T-Cell Leukemia-Lymphoma, HTLV-I-Associated0low10
T-Cell Leukemia, Adult0low10
Tapeworm Infection0low10
Toxic Hepatitis0low10
Tropical Eosinophilia0low10
Tumors0low30
Tumors, Breast0low30
Uveal Neoplasms0low20
White Spot, Dental0low10
White Spots, Dental0low10
Zika Fever0low10
Zika Virus Disease0low10
Zika Virus Infection0low10
ZikV Infection0low10

Research Highlights

Safety/Toxicity (4)

ArticleYear
Surface Modification of Poly(lactide-co-glycolide) Nanoparticles for the Sustained in vitro Release and the Enhanced Cytotoxicity of Chelidonine.
Anti-cancer agents in medicinal chemistry, Volume: 23, Issue: 15		2023
Comparative cytotoxicity of chelidonine and homochelidonine, the dimethoxy analogues isolated from Chelidonium majus L. (Papaveraceae), against human leukemic and lung carcinoma cells.
Phytomedicine : international journal of phytotherapy and phytopharmacology, Mar-15, Volume: 23, Issue: 3		2016
Cytotoxicity and apoptotic signalling cascade induced by chelidonine-loaded PLGA nanoparticles in HepG2 cells in vitro and bioavailability of nano-chelidonine in mice in vivo.
Toxicology letters, Sep-12, Volume: 222, Issue: 1		2013
Chelidonium majus leaves methanol extract and its chelidonine alkaloid ingredient reduce cadmium-induced nephrotoxicity in rats.
Journal of natural medicines, Volume: 67, Issue: 1		2013
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Bioavailability (4)

ArticleYear
Surface Modification of Poly(lactide-co-glycolide) Nanoparticles for the Sustained in vitro Release and the Enhanced Cytotoxicity of Chelidonine.
Anti-cancer agents in medicinal chemistry, Volume: 23, Issue: 15		2023
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology, Volume: 96, Issue: 5		2019
Highly predictive and interpretable models for PAMPA permeability.
Bioorganic & medicinal chemistry, 02-01, Volume: 25, Issue: 3		2017
Cytotoxicity and apoptotic signalling cascade induced by chelidonine-loaded PLGA nanoparticles in HepG2 cells in vitro and bioavailability of nano-chelidonine in mice in vivo.
Toxicology letters, Sep-12, Volume: 222, Issue: 1		2013
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Natural Sources (1)

ArticleYear
Multiple mechanisms of cell death induced by chelidonine in MCF-7 breast cancer cell line.
Chemico-biological interactions, Nov-05, Volume: 223		2014
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]