Compounds > blister
Page last updated: 2024-08-01 01:18:43

blister

Description

blebbistatin: structure in first source [MeSH]

blebbistatin : A pyrroloquinoline that is 1,2,3,3a-tetrahydro-H-pyrrolo[2,3-b]quinolin-4-one substituted by a hydroxy group at position 3a, a methyl group at position 6 and a phenyl group at position 1. It acts as an inhibitor of ATPase activity of non-muscle myosin II. [CHeBI]

Cross-References

ID SourceID
PubMed CID3476986
CHEMBL ID1328324
SCHEMBL ID4330339
CHEBI ID75379
MeSH IDM0002668

Synonyms (82)

Synonym
CBIOL_002055
bleb
HMS3268C20
BRD-A75817871-001-02-6
PROBES1_000320
IDI1_033944
BIO2_000194
BIO2_000674
BIO1_000341
BIO1_001319
BIO1_000830
BSPBIO_001474
BCBCMAP01_000109
UPCMLD-DP100:001
blebbistatin
UPCMLD-DP100
PROBES2_000455
PROBES1_000318
UPCMLD-DP100:002
(+/-)-blebbistatin
NCGC00025281-03
NCGC00025281-04
NCGC00025281-05
KBIO3_000387
KBIO2_000194
KBIO3_000388
KBIOSS_000194
KBIO2_002762
KBIO2_005330
KBIOGR_000194
NCGC00025281-06
HMS1989J16
HMS1361J16
HMS1791J16
3a-hydroxy-6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
FT-0663412
FT-0663411
FT-0663410
SCHEMBL4330339
674289-55-5
A835747
6-methyl-3a-oxidanyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
NCGC00025281-07
CHEMBL1328324 ,
CHEBI:75379 ,
3a-hydroxy-6-methyl-1-phenyl-1,2,3,3a-tetrahydro-4h-pyrrolo[2,3-b]quinolin-4-one
1-phenyl-1,2,3,4-tetrahydro-4-hydroxypyrrolo(2.3-b)-7-methylquinolin-4-one
unii-20wc4j7cq6
20wc4j7cq6 ,
(+-)-blebbistatin
( inverted exclamation marka)-blebbistatin
EI-315
MLS006010843
smr004701769
blebbistatin [mi]
1,2,3,3a-tetrahydro-3a-hydroxy-6-methyl-1-phenyl-4h-pyrrolo(2,3-b)quinolin-4-one
4h-pyrrolo(2,3-b)quinolin-4-one, 1,2,3,3a-tetrahydro-3a-hydroxy-6-methyl-1-phenyl-
(+/-)-1,2,3,3a-tetrahydro-3a-hydroxy-6-methyl-1-phenyl-4h-pyrrolo[2,3-b]quinolin-4-one
1,2,3,3a-tetrahydro-3a-hydroxy-6-methyl-1-phenyl-4h-pyrrolo[2,3-b]quinolin-4-one
LZAXPYOBKSJSEX-UHFFFAOYSA-N
AKOS024456763
HMS3648G12
HMS3402J16
3a-hydroxy-6-methyl-1-phenyl-3,3a-dihydro-1h-pyrrolo[2,3-b]quinolin-4(2h)-one
SR-01000597498-1
sr-01000597498
blebbistain
P16952
AS-53726
HY-13813
CS-0007920
bdbm50449472
BCP07571
Q27145262
mfcd04113775
HMS3676F12
SR-01000597498-2
HMS3412F12
DTXSID501017342
blebbistatin is known as a racemic mixture of (-)-blebbistatin and (+)-blebbistatin.
3a-hydroxy-6-methyl-1-phenyl-2h,3h-pyrrolo[2,3-b]quinolin-4-one
EX-A8013G

Roles (1)

RoleDescription
inhibitorA substance that diminishes the rate of a chemical reaction.

Drug Classes (4)

ClassDescription
pyrroloquinoline
cyclic ketone
tertiary alcoholA tertiary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has three other carbon atoms attached to it.
tertiary alpha-hydroxy ketoneAn alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a carbon bearing two organyl groups.

Protein Targets (18)

Potency Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
TDP1 proteinHomo sapiens (human)Potency7.6110AID686978; AID686979
Microtubule-associated protein tauHomo sapiens (human)Potency12.8631AID1460
regulator of G-protein signaling 4Homo sapiens (human)Potency0.0844AID504845

Inhibition Measurements

ProteinTaxonomyMeasurementAverage (mM)Bioassay(s)
Myosin-2 heavy chain, non muscleAcanthamoeba castellaniiIC5083.0000AID1360373
Myosin-2 heavy chainDictyostelium discoideumIC504.9000AID1360372
Myosin IC heavy chainAcanthamoeba castellaniiIC50150.0000AID1360384
Cytochrome P450 2C19Homo sapiens (human)IC50150.0000AID1360386
Myosin-9Homo sapiens (human)IC504.0000AID1360374
Myosin-10Homo sapiens (human)IC504.6000AID1360375
Unconventional myosin-XBos taurus (cattle)IC50150.0000AID1360386
Myosin-7Sus scrofa (pig)IC501.2000AID1360381
Unconventional myosin-IbRattus norvegicus (Norway rat)IC50150.0000AID1360383
Myosin-4Oryctolagus cuniculus (rabbit)IC500.2200AID1360380
Myosin-14Mus musculus (house mouse)IC503.2000AID1360377
Nonmuscle myosin heavy chainGallus gallus (chicken)IC501.8000AID1360376
Unconventional myosin-VaMus musculus (house mouse)IC50150.0000AID1360385
Myosin heavy chain, non-muscleDrosophila melanogaster (fruit fly)IC50200.0000AID1360382
Unconventional myosin-XVHomo sapiens (human)IC50100.0000AID1360387

Bioassays (22)

Assay IDTitleYearJournalArticle
AID1508630Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay2021Cell reports, 04-27, Volume: 35, Issue:4
ISSN: 2211-1247		A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347154Primary screen GU AMC qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
ISSN: 1091-6490		Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1360387Inhibition of human myosin 15 by NADH-coupled spectrophotometric analysis2018Journal of medicinal chemistry, 11-08, Volume: 61, Issue:21
ISSN: 1520-4804		Medicinal Chemistry and Use of Myosin II Inhibitor ( S)-Blebbistatin and Its Derivatives.
AID1360383Inhibition of rat myosin 1b by NADH-coupled spectrophotometric analysis2018Journal of medicinal chemistry, 11-08, Volume: 61, Issue:21
ISSN: 1520-4804		Medicinal Chemistry and Use of Myosin II Inhibitor ( S)-Blebbistatin and Its Derivatives.
AID1360381Inhibition of pig beta cardiac myosin 2 by NADH-coupled spectrophotometric analysis2018Journal of medicinal chemistry, 11-08, Volume: 61, Issue:21
ISSN: 1520-4804		Medicinal Chemistry and Use of Myosin II Inhibitor ( S)-Blebbistatin and Its Derivatives.
AID1360414Inhibition of Bos taurus smooth muscle myosin 2 ATPase activity2018Journal of medicinal chemistry, 11-08, Volume: 61, Issue:21
ISSN: 1520-4804		Medicinal Chemistry and Use of Myosin II Inhibitor ( S)-Blebbistatin and Its Derivatives.
AID1360385Inhibition of mouse myosin 5a by NADH-coupled spectrophotometric analysis2018Journal of medicinal chemistry, 11-08, Volume: 61, Issue:21
ISSN: 1520-4804		Medicinal Chemistry and Use of Myosin II Inhibitor ( S)-Blebbistatin and Its Derivatives.
AID1360379Inhibition of bay scallop striated muscle myosin heavy chain2018Journal of medicinal chemistry, 11-08, Volume: 61, Issue:21
ISSN: 1520-4804		Medicinal Chemistry and Use of Myosin II Inhibitor ( S)-Blebbistatin and Its Derivatives.
AID1360372Inhibition of RLC-phosphorylated Dictyostelium discoideum myosin 2 ATPase activity by NADH-coupled spectrophotometric analysis2018Journal of medicinal chemistry, 11-08, Volume: 61, Issue:21
ISSN: 1520-4804		Medicinal Chemistry and Use of Myosin II Inhibitor ( S)-Blebbistatin and Its Derivatives.
AID1360378Inhibition of chicken smooth muscle myosin 2 ATPase activity preincubated for 60 mins followed by ATP addition measured after 10 mins by malachite green based assay2018Journal of medicinal chemistry, 11-08, Volume: 61, Issue:21
ISSN: 1520-4804		Medicinal Chemistry and Use of Myosin II Inhibitor ( S)-Blebbistatin and Its Derivatives.
AID1360375Inhibition of human non-muscle myosin 2b2018Journal of medicinal chemistry, 11-08, Volume: 61, Issue:21
ISSN: 1520-4804		Medicinal Chemistry and Use of Myosin II Inhibitor ( S)-Blebbistatin and Its Derivatives.
AID1360380Inhibition of rabbit skeletal muscle myosin 22018Journal of medicinal chemistry, 11-08, Volume: 61, Issue:21
ISSN: 1520-4804		Medicinal Chemistry and Use of Myosin II Inhibitor ( S)-Blebbistatin and Its Derivatives.
AID1360376Inhibition of chicken non-muscle myosin 2b by NADH-coupled spectrophotometric analysis2018Journal of medicinal chemistry, 11-08, Volume: 61, Issue:21
ISSN: 1520-4804		Medicinal Chemistry and Use of Myosin II Inhibitor ( S)-Blebbistatin and Its Derivatives.
AID1360384Inhibition of dephosphorylated Acanthamoeba muscle myosin 1c by NADH-coupled spectrophotometric analysis2018Journal of medicinal chemistry, 11-08, Volume: 61, Issue:21
ISSN: 1520-4804		Medicinal Chemistry and Use of Myosin II Inhibitor ( S)-Blebbistatin and Its Derivatives.
AID1360386Inhibition of bovine myosin x by NADH-coupled spectrophotometric analysis2018Journal of medicinal chemistry, 11-08, Volume: 61, Issue:21
ISSN: 1520-4804		Medicinal Chemistry and Use of Myosin II Inhibitor ( S)-Blebbistatin and Its Derivatives.
AID1360415Inhibition of Meleagris gallopavo smooth muscle myosin 2 ATPase activity2018Journal of medicinal chemistry, 11-08, Volume: 61, Issue:21
ISSN: 1520-4804		Medicinal Chemistry and Use of Myosin II Inhibitor ( S)-Blebbistatin and Its Derivatives.
AID1360377Inhibition of mouse non-muscle myosin 2c2018Journal of medicinal chemistry, 11-08, Volume: 61, Issue:21
ISSN: 1520-4804		Medicinal Chemistry and Use of Myosin II Inhibitor ( S)-Blebbistatin and Its Derivatives.
AID1360374Inhibition of human non-muscle myosin 2a2018Journal of medicinal chemistry, 11-08, Volume: 61, Issue:21
ISSN: 1520-4804		Medicinal Chemistry and Use of Myosin II Inhibitor ( S)-Blebbistatin and Its Derivatives.
AID1360373Inhibition of dephosphorylated Acanthamoeba non muscle myosin 2 by NADH-coupled spectrophotometric analysis2018Journal of medicinal chemistry, 11-08, Volume: 61, Issue:21
ISSN: 1520-4804		Medicinal Chemistry and Use of Myosin II Inhibitor ( S)-Blebbistatin and Its Derivatives.
AID1360382Inhibition of fruit fly non-muscle myosin 22018Journal of medicinal chemistry, 11-08, Volume: 61, Issue:21
ISSN: 1520-4804		Medicinal Chemistry and Use of Myosin II Inhibitor ( S)-Blebbistatin and Its Derivatives.
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
ISSN: 1872-9096		High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID540299A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis2010Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21
ISSN: 1464-3405		Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Research

Studies (457)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's138 (30.20)29.6817
2010's283 (61.93)24.3611
2020's36 (7.88)2.80

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews6 (1.30%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other454 (98.70%)84.16%
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
1-cyclohexyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
0
pyrroloquinoline00low000000
1-(4-methylphenyl)spiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-2,4,6-trione
0
pyrroloquinoline00low000000
2-methyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)propanamide
0
pyrroloquinoline00low000000
N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(1-pyrrolidinyl)acetamide
0
pyrroloquinoline00low000000
1-(6,8-dimethyl-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl)ethanone
0
pyrroloquinoline00low000000
N-[3-(2,6-dimethyl-1-piperidinyl)propyl]-1,5-dimethyl-4-oxo-2-pyrrolo[3,2-c]quinolinecarboxamide
0
pyrroloquinoline00low000000
N-[3-(diethylamino)propyl]-1,5-dimethyl-4-oxo-2-pyrrolo[3,2-c]quinolinecarboxamide
0
pyrroloquinoline00low000000
1,5-dimethyl-4-oxo-N-[2-(3-thiophenyl)ethyl]-2-pyrrolo[3,2-c]quinolinecarboxamide
0
pyrroloquinoline00low000000
2-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-1,5-dimethyl-4-pyrrolo[3,2-c]quinolinone
0
pyrroloquinoline00low000000
1,5-dimethyl-4-oxo-N-[3-(4-propyl-1-piperazinyl)propyl]-2-pyrrolo[3,2-c]quinolinecarboxamide
0
pyrroloquinoline00low000000
N-[3-[butyl(ethyl)amino]propyl]-1,5-dimethyl-4-oxo-2-pyrrolo[3,2-c]quinolinecarboxamide
0
pyrroloquinoline00low000000
acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester
0
pyrroloquinoline00low000000
marinoquinoline a
0
pyrroloquinolinebacterial metabolite00low000000
chlordecone
0
cyclic ketone;
organochlorine compound		insecticide;
persistent organic pollutant		00low000000
acridone
0
acridines;
cyclic ketone		00low000000
fluorescite
0
benzoic acids;
cyclic ketone;
hydroxy monocarboxylic acid;
organic heterotricyclic compound;
phenols;
xanthene dye		fluorescent dye;
radioopaque medium		00low000000
beta-thujaplicin
0
cyclic ketone;
enol;
monoterpenoid		antibacterial agent;
antifungal agent;
antineoplastic agent;
antiplasmodial drug;
plant metabolite		00low000000
ketotifen
0
cyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound		anti-asthmatic drug;
H1-receptor antagonist		00low000000
tetrabenazine
0
benzoquinolizine;
cyclic ketone;
tertiary amino compound		00low000000
cycloheximide
0
antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor		00low000000
isophorone
0
cyclic ketone;
enone		plant metabolite;
solvent		00low000000
pyrazolanthrone
0
anthrapyrazole;
aromatic ketone;
cyclic ketone		antineoplastic agent;
c-Jun N-terminal kinase inhibitor;
geroprotector		00low000000
liriodenine
0
alkaloid 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		00low000000
tropolone
0
alpha-hydroxy ketone;
cyclic ketone;
enol		bacterial metabolite;
fungicide;
toxin		00low000000
erythromycin
0
cyclic ketone;
erythromycin		00low000000
gamma-thujaplicin
0
cyclic ketone00low000000
bromindione
0
cyclic ketone;
indanones		00low000000
isobarbaloin
0
anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols		laxative;
metabolite		00low000000
spectinomycin
0
cyclic acetal;
cyclic hemiketal;
cyclic ketone;
pyranobenzodioxin;
secondary alcohol;
secondary amino compound		antibacterial drug;
antimicrobial agent;
bacterial metabolite		00low000000
trimethylcolchicinic acid
0
cyclic ketone00low000000
furaneol
0
cyclic ketone;
enol;
furans		flavouring agent;
fragrance;
plant metabolite		00low000000
helenalin
0
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
secondary alcohol;
sesquiterpene lactone		anti-inflammatory agent;
antineoplastic agent;
metabolite;
plant metabolite		00low000000
n-deacetyl-n-formylcolchicine
0
cyclic ketone00low000000
verbenone
0
carbobicyclic compound;
cyclic ketone;
enone		00low000000
metribuzin
0
1,2,4-triazines;
cyclic ketone;
organic sulfide		agrochemical;
environmental contaminant;
herbicide;
xenobiotic		00low000000
4-hydroxy-2-ethyl-5-methyl-3(2h)-furanone
0
cyclic ketone;
enol;
furans		Saccharomyces cerevisiae metabolite00low000000
oxcarbazepine
0
cyclic ketone;
dibenzoazepine		anticonvulsant;
drug allergen		00low000000
levobunolol
0
aromatic ether;
cyclic ketone;
propanolamine		antiglaucoma drug;
beta-adrenergic antagonist		00low000000
deoxynivalenol
0
cyclic ketone;
enone;
primary alcohol;
secondary alpha-hydroxy ketone;
trichothecene;
triol		mycotoxin00low000000
colforsin
0
acetate 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		00low000000
3-methyl-1,2-cyclopentanedione
0
cyclic ketone00low000000
squaric acid dibutyl ester
0
cyclic ketone;
diether		allergen;
immunological adjuvant		00low000000
nile red
0
aromatic amine;
cyclic ketone;
organic heterotetracyclic compound;
tertiary amino compound		fluorochrome;
histological dye		00low000000
triptonide
0
butenolide;
cyclic ketone;
diterpene triepoxide;
organic heteroheptacyclic compound		anti-inflammatory agent;
antineoplastic agent;
immunosuppressive agent		00low000000
fluindione
0
cyclic ketone;
indanones		00low000000
6-azathymine
0
1,2,4-triazines;
cyclic ketone;
nucleobase analogue		EC 2.6.1.40 [(R)-3-amino-2-methylpropionate--pyruvate transaminase] inhibitor;
Mycoplasma genitalium metabolite		00low000000
clorindione
0
cyclic ketone;
indanones		00low000000
flurithromycin
0
cyclic ketone;
erythromycin derivative;
organofluorine compound;
semisynthetic derivative		antibacterial drug00low000000
phencyclone
0
cyclic ketone00low000000
allocryptopine
0
aromatic ether;
cyclic acetal;
cyclic ketone;
dibenzazecine alkaloid;
organic heterotetracyclic compound;
tertiary amino compound		00low000000
sporidesmin
0
aromatic ether;
cyclic ketone;
diketone;
organic disulfide;
organic heteropentacyclic compound;
organochlorine compound;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		mycotoxin;
Wnt signalling activator		00low000000
tephrosin
0
aromatic ether;
cyclic ketone;
organic heteropentacyclic compound;
rotenones		antineoplastic agent;
metabolite;
pesticide		00low000000
1,5-anhydrofructose
0
3-pyrones;
anhydrohexose;
cyclic ether;
cyclic ketone;
organic heterocyclic compound;
triol		00low000000
3,7-dihydroxytropolone
0
alpha-hydroxy ketone;
cyclic ketone;
enol;
triol		antineoplastic agent;
bacterial metabolite		00low000000
myricanone
0
aromatic ether;
cyclic ketone;
diarylheptanoid;
methoxybenzenes;
phenols		antineoplastic agent;
plant metabolite		00low000000
2-dodecylcyclobutanone
0
cyclic ketone00low000000
confertin
0
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
pseudoguaianolide		anti-inflammatory agent;
metabolite;
plant metabolite		00low000000
ergolide
0
acetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		anti-inflammatory agent;
antineoplastic agent;
metabolite;
NF-kappaB inhibitor;
plant metabolite		00low000000
beta-dolabrin
0
cyclic ketone00low000000
pronuciferine
0
aromatic ether;
cyclic ketone;
isoquinoline alkaloid;
isoquinolines;
organic heterotetracyclic compound		plant metabolite00low000000
colchiceine
0
cyclic ketone00low000000
aromaticin
0
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		anti-inflammatory agent;
metabolite;
plant metabolite		00low000000
wortmannin
0
acetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound		anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent		00low000000
2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one
0
cyclic ketone;
quinuclidines		00low000000
2,2'-spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5'-dione
0
carbopolycyclic compound;
cyclic ketone;
diketone;
spiro compound		antiviral agent00low000000
phorbol
0
cyclic ketone;
enone;
tertiary alcohol;
tertiary alpha-hydroxy ketone;
tetracyclic diterpenoid		00low000000
solavetivone
0
cyclic ketone;
sesquiterpenoid;
spiro compound		phytoalexin;
plant metabolite		00low000000
alpha bitter acid
0
aromatic ketone;
cyclic ketone;
diketone;
tertiary alpha-hydroxy ketone;
triol		antibacterial drug;
antioxidant;
cyclooxygenase 2 inhibitor;
metabolite		00low000000
[(1S,2R,3S,4S,6R,7R,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetate
0
carbotricyclic compound;
carboxylic ester;
cyclic ketone		00low000000
valnemulin
0
carbotricyclic compound;
carboxylic ester;
cyclic ketone		00low000000
erythromycin ethylsuccinate
0
cyclic ketone;
erythromycin derivative;
ethyl ester;
succinate ester		00low000000
colforsin daropate
0
acetate ester;
carboxylic ester;
cyclic ketone;
diol;
organic heterotricyclic compound;
tertiary amino compound		adenylate cyclase agonist;
antihypertensive agent;
cardiotonic drug;
vasodilator agent		00low000000
2-tetradecylcyclobutanone
0
cyclic ketone00low000000
2-amino-4-(3-cyclohexen-1-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrochromene-3-carbonitrile
0
aliphatic nitrile;
chromenes;
cyclic ketone;
enamine;
enone		00low000000
tiamulin
0
carbotricyclic compound;
carboxylic ester;
cyclic ketone;
organic sulfide;
secondary alcohol;
semisynthetic derivative;
tertiary amino compound;
tetracyclic diterpenoid		antibacterial drug00low000000
1-[1-(1,3-dioxo-2-indenylidene)ethyl]-4-piperidinecarboxylic acid ethyl ester
0
cyclic ketone;
indanones		00low000000
2-[(3-methyl-2-thiophenyl)methylidene]indene-1,3-dione
0
cyclic ketone;
indanones		00low000000
2-(thiophen-2-ylmethylidene)indene-1,3-dione
0
cyclic ketone;
indanones		00low000000
2-[(1-ethyl-2,5-dimethyl-3-pyrrolyl)methylidene]indene-1,3-dione
0
cyclic ketone;
indanones		00low000000
2-(2-cyclohexylidenehydrazinyl)-1-cyclohepta-2,4,6-trienone
0
cyclic ketone00low000000
Jasmone
0
cyclic ketone00low000000
mcb-613
0
cyclic ketone;
enone;
pyridines		antineoplastic agent;
steroid receptor coactivator stimulator		00low000000
bigelovin
0
acetate ester;
cyclic ketone;
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone		antineoplastic agent;
apoptosis inducer;
immunomodulator;
plant metabolite		00low000000
adefovir
0
aromatic ether;
aromatic ketone;
biaryl;
cyclic ketone;
naphtho-gamma-pyrone;
organooxygen heterocyclic antibiotic;
polyphenol		antimalarial;
Aspergillus metabolite;
marine metabolite		00low000000
4-hydroxy-5-methyl-3(2h)-furanone
0
cyclic ketone;
enol;
furans		metabolite00low000000
ophiobolin a
0
cyclic ketone;
enal;
oxaspiro compound;
sesterterpenoid;
tertiary alcohol		00low000000
ellagic acid
0
catechols;
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		00low000000
8-isoprostaglandin e2
0
cyclic ketone;
diol;
prostanoid;
secondary alcohol		bronchoconstrictor agent;
human metabolite;
rat metabolite;
vasoconstrictor agent		00low000000
sirolimus
0
antibiotic 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		00low000000
4-oxoretinol
0
cyclic ketone;
enone;
primary allylic alcohol;
retinoid		antineoplastic agent00low000000
civetone
0
cyclic ketone;
macrocycle		animal metabolite;
fragrance;
pheromone		00low000000
methyl brevifolincarboxylate
0
cyclic ketone;
delta-lactone;
organic heterotricyclic compound;
phenols		EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
metabolite;
platelet aggregation inhibitor;
radical scavenger;
vasodilator agent		00low000000
streptogramin a
0
1,3-oxazoles;
cyclic ketone;
enamide;
lactam;
macrolide antibiotic;
macrolide;
pyrroline;
secondary alcohol;
secondary carboxamide;
tertiary carboxamide		antibacterial drug;
Mycoplasma genitalium metabolite		00low000000
zerumbone
0
cyclic ketone;
sesquiterpenoid		anti-inflammatory agent;
glioma-associated oncogene inhibitor;
plant metabolite		00low000000
monorden
0
cyclic ketone;
enone;
epoxide;
macrolide antibiotic;
monochlorobenzenes;
phenols		antifungal agent;
metabolite;
tyrosine kinase inhibitor		00low000000
everolimus
0
cyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol		anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor		00low000000
aurone
0
aurones;
cyclic ketone		00low000000
platensimycin
0
aromatic amide;
cyclic ether;
cyclic ketone;
dihydroxybenzoic acid;
monocarboxylic acid amide;
polycyclic cage		antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor		00low000000
retapamulin
0
carbotricyclic compound;
carboxylic ester;
cyclic ketone		00low000000
tiamulin fumarate (1:1), (3as-(3aalpha,4beta,5alpha,6alpha,8beta,9alpha,9abeta,10s*))-isomer
0
carbotricyclic compound;
carboxylic ester;
cyclic ketone		00low000000
demethylzeylasteral
0
arenecarbaldehyde;
benzenediols;
carbopolycyclic compound;
cyclic ketone;
enone;
oxo monocarboxylic acid		anti-inflammatory agent;
EC 2.4.1.17 (glucuronosyltransferase) inhibitor;
immunosuppressive agent;
nephroprotective agent;
plant metabolite		00low000000
fonsecinone a
0
aromatic ether;
aromatic ketone;
biaryl;
cyclic ketone;
naphtho-gamma-pyrone;
polyphenol		antibacterial agent;
Aspergillus metabolite		00low000000
benzobicyclon
0
aromatic ketone;
carbobicyclic compound;
cyclic ketone;
monochlorobenzenes;
organic sulfide;
sulfone		00low000000
spiculoic acid a
0
carbobicyclic compound;
cyclic ketone;
oxo monocarboxylic acid;
styrenes		antineoplastic agent;
metabolite		00low000000
er-086526
0
cyclic ketal;
cyclic ketone;
macrocycle;
polycyclic ether;
polyether;
primary amino compound		antineoplastic agent;
microtubule-destabilising agent		00low000000
ceratamine a
0
alkaloid;
aromatic ether;
cyclic ketone;
organic heterobicyclic compound;
organobromine compound;
secondary amino compound;
tertiary amine		antimitotic;
metabolite		00low000000
tembotrione
0
aromatic ketone;
beta-triketone;
cyclic ketone;
ether;
monochlorobenzenes;
organofluorine compound;
sulfone		agrochemical;
carotenoid biosynthesis inhibitor;
EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor;
herbicide		00low000000
alloin
0
anthracenes;
C-glycosyl compound;
cyclic ketone;
phenols		laxative;
metabolite		00low000000
shamixanthone
0
cyclic ketone;
phenols;
pyranoxanthene		metabolite00low000000
adonixanthin
0
carotenone;
cyclic ketone;
secondary alcohol		algal metabolite;
animal metabolite;
antineoplastic agent;
bacterial metabolite;
marine metabolite;
plant metabolite		00low000000
platencin
0
aromatic amide;
cyclic ketone;
dihydroxybenzoic acid;
monocarboxylic acid amide;
polycyclic cage		antibacterial agent;
antimicrobial agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor		00low000000
pyranonigrin a
0
cyclic ketone;
enol;
gamma-lactam;
pyranopyrrole;
secondary alcohol		antioxidant;
Aspergillus metabolite;
marine metabolite		00low000000
lycojapodine a
0
alkaloid;
bridged compound;
cyclic ketone;
lactone;
organic heterotetracyclic compound		anti-HIV-1 agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite		00low000000
integric acid
0
carboxylic ester;
cyclic ketone;
dioxo monocarboxylic acid;
enal;
enone;
eremophilane sesquiterpenoid		HIV-1 integrase inhibitor;
metabolite		00low000000
tropodithietic acid
0
cyclic ketone;
monocarboxylic acid;
organic disulfide;
organic heterobicyclic compound;
organosulfur heterocyclic compound		antibacterial agent;
bacterial metabolite;
marine metabolite;
signalling molecule;
toxin		00low000000
asperfuranone
0
2-benzofurans;
cyclic ketone;
diol;
polyketide;
secondary alcohol;
tertiary alcohol;
tertiary alpha-hydroxy ketone		antineoplastic agent;
fungal metabolite		00low000000
novofumigatonin
0
cyclic ketone;
meroterpenoid;
organic heteropolycyclic compound;
ortho ester		00low000000
threo-alpha-methylisocitrate
0
methylisocitric acid;
tertiary alcohol;
tricarboxylic acid		00low000000
meglutol
0
3-hydroxy carboxylic acid;
dicarboxylic acid;
tertiary alcohol		anticholesteremic drug;
antimetabolite;
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor;
human metabolite;
plant metabolite		00low000000
bicalutamide
0
(trifluoromethyl)benzenes;
monocarboxylic acid amide;
monofluorobenzenes;
nitrile;
sulfone;
tertiary alcohol		00low000000
biperiden
0
piperidines;
tertiary alcohol;
tertiary amino compound		antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic		00low000000
cyclopentolate
0
carboxylic ester;
tertiary alcohol;
tertiary amino compound		diagnostic agent;
muscarinic antagonist;
mydriatic agent;
parasympatholytic		00low000000
cycrimine
0
piperidines;
tertiary alcohol;
tertiary amino compound		antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist		00low000000
diphenidol
0
benzenes;
piperidines;
tertiary alcohol		antiemetic00low000000
fluconazole
0
conazole antifungal drug;
difluorobenzene;
tertiary alcohol;
triazole antifungal drug		environmental contaminant;
P450 inhibitor;
xenobiotic		00low000000
haloperidol
0
aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist		00low000000
heptaminol
0
tertiary alcohol00low000000
loperamide
0
monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol		anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist		00low000000
oxybutynin
0
acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound		antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic		00low000000
pridinol
0
piperidines;
tertiary alcohol		antiparkinson drug;
muscle relaxant		00low000000
procyclidine
0
pyrrolidines;
tertiary alcohol		antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist		00low000000
ultram
0
aromatic ether;
tertiary alcohol;
tertiary amino compound		00low000000
venlafaxine
0
cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound		adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic		00low000000
chlorobutanol
0
tertiary alcohol00low000000
vincristine
0
acetate 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		00low000000
norethindrone
0
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol		progestin;
synthetic oral contraceptive		00low000000
tert-butyl alcohol
0
tertiary alcoholhuman xenobiotic metabolite00low000000
tert-amyl alcohol
0
aliphatic alcohol;
tertiary alcohol		protic solvent00low000000
linalool
0
monoterpenoid;
tertiary alcohol		antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component		00low000000
hydroxycitronellal
0
tertiary alcoholallergen;
fragrance		00low000000
3-hydroxy-3-methylbutene
0
olefinic compound;
tertiary alcohol		animal metabolite;
fragrance;
pheromone;
plant metabolite		00low000000
dicofol
0
monochlorobenzenes;
organochlorine acaricide;
tertiary alcohol		00low000000
hematoxylin
0
organic heterotetracyclic compound;
oxacycle;
polyphenol;
tertiary alcohol		histological dye;
plant metabolite		00low000000
4-methyl-1-(1-methylethyl)-3-cyclohexen-1-ol
0
terpineol;
tertiary alcohol		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiparasitic agent;
apoptosis inducer;
plant metabolite;
volatile oil component		00low000000
2-phenyl-2-propanol
0
benzyl alcohols;
tertiary alcohol		human xenobiotic metabolite;
Mycoplasma genitalium metabolite		00low000000
ethylestrenol
0
17beta-hydroxy steroid;
tertiary alcohol		anabolic agent00low000000
tridihexethyl
0
quaternary ammonium ion;
tertiary alcohol		anti-ulcer drug;
antispasmodic drug;
muscarinic antagonist		00low000000
camptothecin
0
delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite		00low000000
stanozolol
0
17beta-hydroxy steroid;
anabolic androgenic steroid;
organic heteropentacyclic compound;
tertiary alcohol		anabolic agent;
androgen		00low000000
ancymidol
0
pyrimidines;
tertiary alcohol		cellulose synthesis inhibitor;
gibberellin biosynthesis inhibitor;
plant growth retardant		00low000000
butaclamol
0
amino alcohol;
organic heteropentacyclic compound;
tertiary alcohol;
tertiary amino compound		dopaminergic antagonist00low000000
vindesine
0
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
primary carboxamide;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent00low000000
fenarimol
0
monochlorobenzenes;
pyrimidines;
tertiary alcohol		00low000000
irinotecan
0
carbamate ester;
delta-lactone;
N-acylpiperidine;
pyranoindolizinoquinoline;
ring assembly;
tertiary alcohol;
tertiary amino compound		antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug		00low000000
cedrol
0
cedrane sesquiterpenoid;
tertiary alcohol		00low000000
hexaconazole
0
dichlorobenzene;
tertiary alcohol;
triazoles		chelator00low000000
voriconazole
0
conazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug		P450 inhibitor00low000000
warburganal
0
tertiary alcohol00low000000
brazilin
0
catechols;
organic heterotetracyclic compound;
tertiary alcohol		anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
biological pigment;
hepatoprotective agent;
histological dye;
NF-kappaB inhibitor;
plant metabolite		00low000000
tebuconazole
0
monochlorobenzenes;
tertiary alcohol;
triazoles		00low000000
cyproconazole
0
cyclopropanes;
monochlorobenzenes;
tertiary alcohol;
triazoles		00low000000
metconazole
0
conazole fungicide;
cyclopentanols;
monochlorobenzenes;
tertiary alcohol;
triazole fungicide;
triazoles		antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor		00low000000
(1-hydroxycyclopentyl)phenylacetic acid
0
monocarboxylic acid;
tertiary alcohol		00low000000
beta-eudesmol
0
carbobicyclic compound;
eudesmane sesquiterpenoid;
tertiary alcohol		volatile oil component00low000000
flutriafol
0
monofluorobenzenes;
tertiary alcohol;
triazoles		00low000000
elemol
0
olefinic compound;
sesquiterpenoid;
tertiary alcohol		fragrance;
plant metabolite		00low000000
biperiden hydrochloride
0
hydrochloride;
piperidines;
tertiary alcohol		antiparkinson drug;
muscarinic antagonist;
parasympatholytic		00low000000
spathulenol
0
carbotricyclic compound;
olefinic compound;
sesquiterpenoid;
tertiary alcohol		anaesthetic;
plant metabolite;
vasodilator agent;
volatile oil component		00low000000
alpha-eudesmol
0
eudesmane sesquiterpenoid;
octahydronaphthalenes;
tertiary alcohol		volatile oil component00low000000
aeroplysinin i
0
tertiary alcohol00low000000
sn 38
0
delta-lactone;
phenols;
pyranoindolizinoquinoline;
tertiary alcohol		antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 5.99.1.2 (DNA topoisomerase) inhibitor		00low000000
paxilline
0
diterpene alkaloid;
enone;
organic heterohexacyclic compound;
terpenoid indole alkaloid;
tertiary alcohol		anticonvulsant;
Aspergillus metabolite;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor;
genotoxin;
geroprotector;
mycotoxin;
Penicillium metabolite;
potassium channel blocker		00low000000
cafestol
0
diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
plant metabolite		00low000000
kahweol
0
diterpenoid;
furans;
organic heteropentacyclic compound;
primary alcohol;
tertiary alcohol		angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite		00low000000
megestrol acetate
0
bridged compound;
organic heterotetracyclic compound;
secondary alcohol;
sesquiterpene lactone;
spiro compound;
tertiary alcohol;
tetrol		GABA antagonist;
neurotoxin;
phytogenic insecticide;
plant metabolite		00low000000
aclacinomycin
0
aminoglycoside;
anthracycline;
deoxy hexoside;
methyl ester;
monosaccharide derivative;
phenols;
polyketide;
tertiary alcohol;
tetracenequinones;
zwitterion		antimicrobial agent;
antineoplastic agent;
metabolite		00low000000
columbianetin
0
furanocoumarin;
tertiary alcohol		00low000000
aklavinone
0
anthracycline;
methyl ester;
tertiary alcohol;
tetracenequinones		antineoplastic agent00low000000
t-cadinol
0
cadinane sesquiterpenoid;
carbobicyclic compound;
octahydronaphthalenes;
tertiary alcohol		plant metabolite;
volatile oil component		00low000000
withanolide d
0
20-hydroxy steroid;
4-hydroxy steroid;
delta-lactone;
enone;
epoxy steroid;
ergostanoid;
secondary alcohol;
tertiary alcohol;
withanolide		antineoplastic agent00low000000
diplopterol
0
hopanoid;
pentacyclic triterpenoid;
tertiary alcohol		plant metabolite00low000000
inuviscolide
0
gamma-lactone;
organic heterotricyclic compound;
sesquiterpene lactone;
tertiary alcohol		anti-inflammatory agent;
plant metabolite		00low000000
diflomotecan
0
epsilon-lactone;
organic heteropentacyclic compound;
organofluorine compound;
organonitrogen heterocyclic compound;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor		00low000000
vincaleukoblastine
0
acetate ester;
indole alkaloid fundamental parent;
methyl ester;
organic heteropentacyclic compound;
organic heterotetracyclic compound;
tertiary alcohol;
tertiary amino compound;
vinca alkaloid		antineoplastic agent;
immunosuppressive agent;
microtubule-destabilising agent;
plant metabolite		00low000000
Ovalicine subst.
0
tertiary alcohol00low000000
homoharringtonine
0
alkaloid ester;
enol ether;
organic heteropentacyclic compound;
tertiary alcohol		anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
protein synthesis inhibitor		00low000000
deltaline
0
acetate ester;
cyclic acetal;
diterpene alkaloid;
organic polycyclic compound;
tertiary alcohol;
tertiary amino compound		00low000000
picrotin
0
diol;
epoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol		plant metabolite00low000000
picrotoxinin
0
epoxide;
gamma-lactone;
organic heteropentacyclic compound;
picrotoxane sesquiterpenoid;
tertiary alcohol		GABA antagonist;
plant metabolite;
serotonergic antagonist		00low000000
cinnamodial
0
tertiary alcohol00low000000
theogallin
0
gallate ester;
monocarboxylic acid;
tertiary alcohol		00low000000
kt 5720
0
carboxylic ester;
gamma-lactam;
hemiaminal;
indolocarbazole;
organic heterooctacyclic compound;
semisynthetic derivative;
tertiary alcohol		EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor00low000000
ravuconazole
0
1,3-thiazoles;
fluorobenzenes;
nitrile;
tertiary alcohol;
triazoles		antifungal drug;
antileishmanial agent;
EC 1.14.14.154 (sterol 14alpha-demethylase) inhibitor;
ergosterol biosynthesis inhibitor		00low000000
16beta,17-dihydroxy-ent-kaurane-19-oic acid
0
bridged compound;
diol;
ent-kaurane diterpenoid;
hydroxy monocarboxylic acid;
primary alcohol;
tertiary alcohol		anti-HIV agent;
metabolite		00low000000
rubitecan
0
C-nitro compound;
delta-lactone;
pyranoindolizinoquinoline;
semisynthetic derivative;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug		00low000000
efinaconazole
0
conazole antifungal drug;
olefinic compound;
organofluorine compound;
piperidines;
tertiary alcohol;
tertiary amino compound;
triazole antifungal drug		EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor00low000000
manool
0
labdane diterpenoid;
tertiary alcohol		antibacterial agent;
antineoplastic agent;
plant metabolite		00low000000
t-muurolol
0
cadinane sesquiterpenoid;
carbobicyclic compound;
octahydronaphthalenes;
tertiary alcohol		bacterial metabolite;
fungicide;
marine metabolite;
plant metabolite;
volatile oil component		00low000000
senecionine
0
lactone;
pyrrolizidine alkaloid;
tertiary alcohol		plant metabolite00low000000
azadirachtin
0
acetate ester;
azadirachtin;
cyclic hemiketal;
enoate ester;
epoxide;
methyl ester;
organic heterotetracyclic compound;
secondary alcohol;
tertiary alcohol		hepatoprotective agent00low000000
josamycin
0
acetate ester;
aldehyde;
disaccharide derivative;
glycoside;
macrolide antibiotic;
tertiary alcohol;
tertiary amino compound		antibacterial drug;
metabolite		00low000000
ethisterone
0
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol		drug metabolite;
progestin		00low000000
naloxone
0
morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol		antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist		00low000000
lasalocid
0
beta-hydroxy ketone;
monocarboxylic acid;
monohydroxybenzoic acid;
oxanes;
oxolanes;
polyether antibiotic;
secondary alcohol;
tertiary alcohol		bacterial metabolite;
coccidiostat;
ionophore		00low000000
rhodopin
0
carotenol;
tertiary alcohol		bacterial metabolite00low000000
bedaquiline
0
aromatic ether;
naphthalenes;
organobromine compound;
quinolines;
tertiary alcohol;
tertiary amino compound		antitubercular agent;
ATP synthase inhibitor		00low000000
manumycin
0
enamide;
epoxide;
organic heterobicyclic compound;
polyketide;
secondary carboxamide;
tertiary alcohol		antiatherosclerotic agent;
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor;
marine metabolite		00low000000
squalestatin 1
0
acetate ester;
cyclic ketal;
oxabicycloalkane;
polyketide;
tertiary alcohol;
tricarboxylic acid		EC 2.5.1.21 (squalene synthase) inhibitor;
fungal metabolite		00low000000
riddelliine n-oxide
0
diol;
macrocyclic lactone;
olefinic compound;
organic heterotricyclic compound;
primary alcohol;
pyrrolizine alkaloid;
tertiary alcohol;
tertiary amine oxide		carcinogenic agent;
genotoxin;
human xenobiotic metabolite;
Jacobaea metabolite;
mutagen;
rat metabolite		00low000000
asukamycin
0
enamide;
epoxide;
organic heterobicyclic compound;
polyketide;
secondary carboxamide;
tertiary alcohol		antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
bacterial metabolite		00low000000
bacterioruberin
0
C50 carotenoid;
tertiary alcohol;
tetrol		bacterial metabolite;
biological pigment		00low000000
prothioconazole
0
cyclopropanes;
monochlorobenzenes;
tertiary alcohol;
thiocarbonyl compound;
triazoles		00low000000
yunaconitine
0
acetate ester;
aromatic ether;
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound		antifeedant;
human urinary metabolite;
phytotoxin;
plant metabolite;
xenobiotic		00low000000
isavuconazole
0
1,3-thiazoles;
conazole antifungal drug;
difluorobenzene;
nitrile;
tertiary alcohol;
triazole antifungal drug		EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
ergosterol biosynthesis inhibitor;
orphan drug		00low000000
grayanotoxin i
0
acetate ester;
pentol;
secondary alcohol;
tertiary alcohol;
tetracyclic diterpenoid		antihypertensive agent;
metabolite;
neuromuscular agent;
phytotoxin		00low000000
n-demethylloperamide
0
monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol		drug metabolite00low000000
tmc-95a
0
indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
bacterial metabolite;
fungal metabolite;
proteasome inhibitor		00low000000
yw 3548
0
olefinic compound;
terpene lactone;
tertiary alcohol		fungal metabolite;
glycerophosphoinositol synthesis inhibitor		00low000000
arisugacin
0
aromatic ether;
delta-lactone;
enone;
organic heterotetracyclic compound;
tertiary alcohol		antimicrobial agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
metabolite;
Penicillium metabolite		00low000000
alpha-cadinol
0
cadinane sesquiterpenoid;
carbobicyclic compound;
octahydronaphthalenes;
tertiary alcohol		fungicide;
plant metabolite;
volatile oil component		00low000000
hydroxyibuprofen
0
hydroxy monocarboxylic acid;
tertiary alcohol		drug metabolite00low000000
tmc-95b
0
indoles;
lactam;
macrocycle;
phenols;
secondary alcohol;
tertiary alcohol		antimicrobial agent;
antineoplastic agent;
fungal metabolite;
proteasome inhibitor		00low000000
homocamptothecin
0
epsilon-lactone;
organic heteropentacyclic compound;
organonitrogen heterocyclic compound;
tertiary alcohol		antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor		00low000000
ossamycin
0
cyclic hemiketal;
macrolide antibiotic;
organic heterotetracyclic compound;
secondary alcohol;
spiroketal;
tertiary alcohol		antineoplastic agent;
bacterial metabolite		00low000000
vibrioferrin
0
carboxylic ester;
N-acyl hemiaminal;
pyrrolidin-2-ones;
tertiary alcohol;
tricarboxylic acid		marine metabolite;
siderophore		00low000000
bms 477118
0
adamantanes;
azabicycloalkane;
monocarboxylic acid amide;
nitrile;
tertiary alcohol		EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
hypoglycemic agent		00low000000
cubebol
0
carbotricyclic compound;
sesquiterpenoid;
tertiary alcohol		00low000000
myrocin a
0
tertiary alcoholmetabolite00low000000
diversonol
0
phenols;
tertiary alcohol		antibacterial agent;
metabolite		00low000000
zaragozic acid c
0
acetate ester;
cyclic ketal;
oxabicycloalkane;
polyketide;
tertiary alcohol;
tricarboxylic acid		EC 2.5.1.21 (squalene synthase) inhibitor;
fungal metabolite		00low000000
viridiflorol
0
carbotricyclic compound;
sesquiterpenoid;
tertiary alcohol		anti-inflammatory agent;
antifeedant;
antimycobacterial drug;
plant metabolite;
volatile oil component		00low000000
oplodiol
0
carbobicyclic compound;
octahydronaphthalenes;
secondary alcohol;
sesquiterpenoid;
tertiary alcohol		plant metabolite00low000000
kt 5926
0
gamma-lactam;
hemiaminal;
indolocarbazole;
methyl ester;
organic heterooctacyclic compound;
tertiary alcohol		EC 2.7.11.18 (myosin-light-chain kinase) inhibitor00low000000
methampicillin
0
monochlorobenzenes;
tertiary alcohol;
triazoles		brassinosteroid biosynthesis inhibitor00low000000
aflatoxin m1
0
aflatoxin;
aromatic ether;
aromatic ketone;
tertiary alcohol		Aspergillus metabolite;
human xenobiotic metabolite;
mammalian metabolite		00low000000
vibsanin b
0
cyclic terpene ketone;
enone;
tertiary alcohol;
vibsane diterpenoid		plant growth retardant;
plant metabolite		00low000000
gdc-0973
0
aromatic amine;
difluorobenzene;
N-acylazetidine;
organoiodine compound;
piperidines;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor		00low000000
germacradienol
0
germacrane sesquiterpenoid;
tertiary alcohol		00low000000
gsk690693
0
1,2,5-oxadiazole;
acetylenic compound;
aromatic amine;
aromatic ether;
imidazopyridine;
piperidines;
primary amino compound;
tertiary alcohol		antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor		00low000000
azd 7545
0
benzamides;
monochlorobenzenes;
organofluorine compound;
secondary carboxamide;
sulfone;
tertiary alcohol;
tertiary carboxamide		EC 2.7.11.2 - [pyruvate dehydrogenase (acetyl-transferring)] kinase inhibitor;
hypoglycemic agent		00low000000
benzoylaconine
0
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol		phytotoxin;
plant metabolite		00low000000
berkeleydione
0
beta-diketone;
cyclic terpene ketone;
meroterpenoid;
methyl ester;
organic heterotetracyclic compound;
terpene lactone;
tertiary alcohol;
tertiary alpha-hydroxy ketone		antineoplastic agent;
cysteine protease inhibitor;
Penicillium metabolite		00low000000
berkeleytrione
0
beta-diketone;
carbopolycyclic compound;
cyclic terpene ketone;
meroterpenoid;
methyl ester;
tertiary alcohol;
tertiary alpha-hydroxy ketone		cysteine protease inhibitor;
Penicillium metabolite		00low000000
bromophycolide a
0
diterpenoid;
macrolide;
organobromine compound;
phenols;
tertiary alcohol		anti-HIV agent;
antibacterial agent;
antifungal agent;
antimalarial;
antineoplastic agent;
metabolite		00low000000
caribenol a
0
organic heterotetracyclic compound;
terpene lactone;
tertiary alcohol		antimalarial;
antitubercular agent;
metabolite		00low000000
benzoylmesaconine
0
benzoate ester;
bridged compound;
diterpene alkaloid;
organic heteropolycyclic compound;
polyether;
secondary alcohol;
tertiary alcohol;
tertiary amino compound;
tetrol		analgesic;
antiinfective agent;
plant metabolite		00low000000
papuamide b
0
cyclodepsipeptide;
olefinic compound;
secondary alcohol;
tertiary alcohol		anti-HIV-1 agent;
antineoplastic agent;
marine metabolite		00low000000
staphyloferrin b
0
oxo carboxylic acid;
tertiary alcohol;
tricarboxylic acid amide;
tricarboxylic acid		bacterial metabolite;
siderophore		00low000000
staphyloferrin a
0
D-ornithine derivative;
pentacarboxylic acid;
tertiary alcohol;
tricarboxylic acid amide		bacterial metabolite;
siderophore		00low000000
eurycomanone
0
cyclic ether;
delta-lactone;
enone;
organic heteropentacyclic compound;
pentol;
quassinoid;
secondary alcohol;
secondary alpha-hydroxy ketone;
tertiary alcohol		antimalarial;
antineoplastic agent;
metabolite		00low000000
gardenoside
0
beta-D-glucoside;
cyclopentapyran;
enoate ester;
methyl ester;
monosaccharide derivative;
tertiary alcohol		metabolite00low000000
naloxegol
0
aromatic ether;
organic heteropentacyclic compound;
phenols;
polyether;
tertiary alcohol		cathartic;
mu-opioid receptor antagonist		00low000000
2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-ol
0
(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
tertiary alcohol;
triazoles		00low000000
praliciguat
0
aminopyrimidine;
isoxazoles;
monofluorobenzenes;
organofluorine compound;
pyrazoles;
secondary amino compound;
tertiary alcohol		anti-inflammatory agent;
antihypertensive agent;
soluble guanylate cyclase activator;
vasodilator agent		00low000000
ambrein
0
tertiary alcohol;
triterpenoid		hypoglycemic agent;
mammalian metabolite		00low000000
enasidenib
0
1,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol		antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor		00low000000
aurachin a
0
A-type aurachin;
furoquinoline;
quinoline N-oxide;
tertiary alcohol		antibacterial agent;
bacterial metabolite		00low000000
cyclooctatin
0
carbotricyclic compound;
diterpenoid;
primary alcohol;
secondary alcohol;
tertiary alcohol		bacterial metabolite;
EC 3.1.1.5 (lysophospholipase) inhibitor		00low000000
grayanotoxin ii
0
tertiary alcohol00low000000
hydrocortisone acetate
0
cortisol ester;
tertiary alpha-hydroxy ketone		00low000000
prednisolone
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
drug metabolite;
environmental contaminant;
immunosuppressive agent;
xenobiotic		00low000000
tetrahydrocortisol
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3alpha-hydroxy steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		00low000000
prednisone
0
11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antineoplastic agent;
immunosuppressive agent;
prodrug		00low000000
methylprednisolone acetate
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
glucocorticoid;
steroid ester;
tertiary alpha-hydroxy ketone		anti-inflammatory drug00low000000
17-alpha-hydroxyprogesterone
0
17alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
tertiary alpha-hydroxy ketone		human metabolite;
metabolite;
mouse metabolite;
progestin		00low000000
methylprednisolone
0
6-methylprednisolone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		adrenergic agent;
anti-inflammatory drug;
antiemetic;
environmental contaminant;
neuroprotective agent;
xenobiotic		00low000000
dexamethasone 21-phosphate
0
11beta-hydroxy steroid;
17-hydroxy steroid;
3-oxo-Delta(4) steroid;
fluorinated steroid;
steroid phosphate;
tertiary alpha-hydroxy ketone		glucocorticoid receptor agonist00low000000
betamethasone
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic agent;
anti-inflammatory drug;
immunosuppressive agent		00low000000
fluorometholone
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone		anti-inflammatory drug00low000000
medroxyprogesterone
0
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone		contraceptive drug;
progestin;
synthetic oral contraceptive		00low000000
algestone
0
16alpha-hydroxy steroid;
17-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
tertiary alpha-hydroxy ketone		progestin00low000000
flumethasone
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-inflammatory drug00low000000
hydrocortisone hemisuccinate
0
dicarboxylic acid monoester;
hemisuccinate;
tertiary alpha-hydroxy ketone		00low000000
megestrol
0
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
tertiary alpha-hydroxy ketone		antineoplastic agent;
appetite enhancer;
contraceptive drug;
progestin;
synthetic oral contraceptive		00low000000
beclomethasone
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
corticosteroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-asthmatic drug;
anti-inflammatory drug		00low000000
tetradecanoylphorbol acetate
0
acetate 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		00low000000
triamcinolone
0
11beta-hydroxy steroid;
16alpha-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-allergic agent;
anti-inflammatory drug		00low000000
phorbol 12,13-dibutyrate
0
butyrate ester;
phorbol ester;
tertiary alpha-hydroxy ketone		00low000000
epirubicin
0
aminoglycoside;
anthracycline antibiotic;
anthracycline;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor		00low000000
betamethasone sodium phosphate
0
organic sodium salt;
tertiary alpha-hydroxy ketone		00low000000
5-dihydrocortisone
0
3-oxo-5beta-steroid;
4,5-dihydrocortisone;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		00low000000
methoxy-morpholinyl-doxorubicin
0
anthracycline antibiotic;
morpholines;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		00low000000
diflorasone
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		anti-inflammatory drug00low000000
prednisolone phosphate
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
glucocorticoid;
steroid phosphate;
tertiary alpha-hydroxy ketone		anti-inflammatory agent;
antineoplastic agent;
glucocorticoid receptor agonist;
prodrug		00low000000
tetracenomycin c
0
methyl ester;
tertiary alpha-hydroxy ketone;
tetracenomycin		00low000000
hydrocortamate
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
3-oxo-Delta(4) steroid;
glucocorticoid;
glycinyl ester;
tertiary alpha-hydroxy ketone		anti-inflammatory drug;
immunosuppressive agent		00low000000
terreic acid
0
arene epoxide;
diketone;
monohydroxy-1,4-benzoquinones;
tertiary alpha-hydroxy ketone		antibacterial agent;
antineoplastic agent;
Aspergillus metabolite;
EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor;
EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
mycotoxin		00low000000
nisone
0
11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
steroid ester;
tertiary alpha-hydroxy ketone		00low000000
17-alpha-hydroxypregnenolone
0
17alpha-hydroxy-C21-steroid;
17alpha-hydroxy steroid;
3beta-hydroxy-Delta(5)-steroid;
hydroxypregnenolone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite		00low000000
21-deoxycortisol
0
11beta-hydroxy steroid;
17alpha-hydroxy-C21-steroid;
deoxycortisol;
tertiary alpha-hydroxy ketone		human blood serum metabolite;
mouse metabolite		00low000000
cortisol 21-sulfate
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
cortisol ester;
steroid sulfate;
tertiary alpha-hydroxy ketone		human metabolite00low000000
4'-deoxy-4'-iododoxorubicin
0
organoiodine compound;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		00low000000
sapintoxin d
0
phorbol ester;
tertiary alpha-hydroxy ketone		fluorescent probe;
metabolite		00low000000
tabtoxinine beta-lactam
0
beta-lactam antibiotic;
monobactam;
non-proteinogenic L-alpha-amino acid;
tertiary alpha-hydroxy ketone		apoptosis inducer;
bacterial metabolite;
EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor		00low000000
daphnetoxin
0
diterpene alkaloid;
epoxide;
ortho ester;
tertiary alpha-hydroxy ketone		00low000000
cucurbitacin r
0
23,24-dihydrocucurbitacin;
secondary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		00low000000
cortisone
0
11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite		00low000000
fludrocortisone acetate
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
fluorinated steroid;
mineralocorticoid;
tertiary alpha-hydroxy ketone		00low000000
23,24-dihydrocucurbitacin b
0
23,24-dihydrocucurbitacin;
secondary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		00low000000
croton factor f1
0
phorbol ester;
tertiary alpha-hydroxy ketone		00low000000
cortodoxone
0
deoxycortisol;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mouse metabolite		00low000000
glaucarubinone
0
carboxylic ester;
organic heteropentacyclic compound;
quassinoid;
secondary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone;
tetrol		antimalarial;
antineoplastic agent;
geroprotector;
plant metabolite		00low000000
carubicin
0
aminoglycoside antibiotic;
anthracycline antibiotic;
p-quinones;
tertiary alpha-hydroxy ketone;
tetracenequinones		antineoplastic agent;
apoptosis inducer		00low000000
betamethasone acetate
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
acetate ester;
fluorinated steroid;
steroid ester;
tertiary alpha-hydroxy ketone		00low000000
flumethasone pivalate
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
fluorinated steroid;
glucocorticoid;
pivalate ester;
tertiary alpha-hydroxy ketone		anti-inflammatory drug;
antipruritic drug		00low000000
phorbol-12,13-didecanoate, (1ar-(1aalpha,1bbeta,4aalpha,7aalpha,7balpha,8alpha,9beta,9aalpha))-isomer
0
decanoate ester;
diester;
phorbol ester;
primary allylic alcohol;
tertiary alpha-hydroxy ketone		TRPV4 agonist00low000000
prednisolone hemisuccinate
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
hemisuccinate;
tertiary alpha-hydroxy ketone		anti-inflammatory drug00low000000
cucurbitacin b
0
cucurbitacin;
secondary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		00low000000
cucurbitacin d
0
cucurbitacin;
secondary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		00low000000
nsc 106399
0
cucurbitacin;
tertiary alpha-hydroxy ketone		00low000000
cucurbitacin i
0
cucurbitacin;
tertiary alpha-hydroxy ketone		antineoplastic agent;
plant metabolite		00low000000
25-hydroxy-24-oxocholecalciferol
0
hydroxycalciol;
oxocalciol;
tertiary alpha-hydroxy ketone		00low000000
1,25-dihydroxy-24-oxo-vitamin d3
0
hydroxycalciol;
oxocalciol;
tertiary alpha-hydroxy ketone		human metabolite00low000000
cyproterone
0
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(4) steroid;
chlorinated steroid;
tertiary alpha-hydroxy ketone		androgen antagonist00low000000
blebbistatin
0
blebbistatin;
tertiary alpha-hydroxy ketone		00low000000
clobetasol
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
3-oxo-Delta(1),Delta(4)-steroid;
chlorinated steroid;
fluorinated steroid;
glucocorticoid;
tertiary alpha-hydroxy ketone		anti-inflammatory drug;
SMO receptor agonist		00low000000
resiniferatoxin
0
carboxylic ester;
diterpenoid;
enone;
monomethoxybenzene;
organic heteropentacyclic compound;
ortho ester;
phenols;
tertiary alpha-hydroxy ketone		analgesic;
neurotoxin;
plant metabolite;
TRPV1 agonist		00low000000
cucurbitacin I 2-O-beta-D-glucopyranoside
0
beta-D-glucoside;
cucurbitacin;
monosaccharide derivative;
tertiary alpha-hydroxy ketone;
triterpenoid saponin		plant metabolite00low000000
6 beta-hydroxycortisol
0
11beta-hydroxy steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
6beta-hydroxy steroid;
C21-steroid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone		human metabolite;
mammalian metabolite;
probe		00low000000
elloramycin
0
alpha-L-rhamnoside;
carboxylic ester;
enol ether;
enone;
methyl ester;
monosaccharide derivative;
phenols;
tertiary alpha-hydroxy ketone;
tetracenomycin		antimicrobial agent;
bacterial metabolite		00low000000
tixocortol pivalate
0
corticosteroid;
pivalate ester;
tertiary alpha-hydroxy ketone;
thioester		allergen;
anti-allergic agent;
glucocorticoid receptor agonist		00low000000
avilamycin a
0
benzoate ester;
cyclic acetal;
dichlorobenzene;
oligosaccharide derivative;
ortho ester;
oxaspiro compound;
phenols;
tertiary alpha-hydroxy ketone		antimicrobial agent;
bacterial metabolite		00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
beta-alanine
0
amino acid zwitterion;
beta-amino acid		agonist;
fundamental metabolite;
human metabolite;
inhibitor;
neurotransmitter		00low000000
glafenine
0
aminoquinoline;
carboxylic ester;
glycol;
organochlorine compound;
secondary amino compound		inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug		00low000000
medroxyprogesterone acetate
0
20-oxo steroid;
3-oxo-Delta(4) steroid;
acetate ester;
corticosteroid;
steroid ester		adjuvant;
androgen;
antineoplastic agent;
antioxidant;
female contraceptive drug;
inhibitor;
progestin;
synthetic oral contraceptive		00low000000
2-furoic acid
0
furoic acidbacterial xenobiotic metabolite;
human xenobiotic metabolite;
inhibitor;
plant metabolite;
Saccharomyces cerevisiae metabolite		00low000000
succinyl-coenzyme a
0
omega-carboxyacyl-CoAEscherichia coli metabolite;
inhibitor;
mouse metabolite		00low000000
limonin
0
epoxide;
furans;
hexacyclic triterpenoid;
lactone;
limonoid;
organic heterohexacyclic compound		inhibitor;
metabolite;
volatile oil component		00low000000
parthenolide
0
sesquiterpene lactonedrug allergen;
inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug		00low000000
ARS-1620
0
quinazolinesantineoplastic agent;
antiviral agent;
inhibitor		00low000000
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
blebbistatin
1
blebbistatin;
tertiary alpha-hydroxy ketone		201820186.0low000010
SubstanceStudiesClassesRolesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
phosphoserine
1
non-proteinogenic alpha-amino acid;
O-phosphoamino acid;
serine derivative		human metabolite2007200717.0low000100
1-butanol
1
alkyl alcohol;
primary alcohol;
short-chain primary fatty alcohol		human metabolite;
mouse metabolite;
protic solvent		2009200915.0low000100
methane
1
alkane;
gas molecular entity;
mononuclear parent hydride;
one-carbon compound		bacterial metabolite;
fossil fuel;
greenhouse gas		2011201113.0low000010
chlorine
1
halide anion;
monoatomic chlorine		cofactor;
Escherichia coli metabolite;
human metabolite		201520159.0low000010
creatine
1
glycine derivative;
guanidines;
zwitterion		geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent;
nutraceutical		2011201113.0low000010
diacetyl
13
alpha-diketoneEscherichia coli metabolite;
Saccharomyces cerevisiae metabolite		2005202113.6low000751
dimethyl sulfoxide
1
sulfoxide;
volatile organic compound		alkylating agent;
antidote;
Escherichia coli metabolite;
geroprotector;
MRI contrast agent;
non-narcotic analgesic;
polar aprotic solvent;
radical scavenger		2013201311.0low000010
histamine
1
aralkylamino compound;
imidazoles		human metabolite;
mouse metabolite;
neurotransmitter		201820186.0low000010
phosphorylcholine
2
phosphocholinesallergen;
epitope;
hapten;
human metabolite;
mouse metabolite		2006200817.0low000200
toluene
1
methylbenzene;
toluenes;
volatile organic compound		cholinergic antagonist;
fuel additive;
neurotoxin;
non-polar solvent		201920195.0low000010
uracil
1
pyrimidine nucleobase;
pyrimidone		allergen;
Daphnia magna metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
prodrug;
Saccharomyces cerevisiae metabolite		2013201311.0low000010
urea
1
isourea;
monocarboxylic acid amide;
one-carbon compound		Daphnia magna metabolite;
Escherichia coli metabolite;
fertilizer;
flour treatment agent;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite		201820186.0low000010
4-aminopyridine
1
aminopyridine;
aromatic amine		avicide;
orphan drug;
potassium channel blocker		2005200519.0low000100
acetazolamide
1
monocarboxylic acid amide;
sulfonamide;
thiadiazoles		anticonvulsant;
diuretic;
EC 4.2.1.1 (carbonic anhydrase) inhibitor		201520159.0low000010
ag-1296
1
quinoxaline derivative2007200717.0low000100
amitriptyline
1
carbotricyclic compound;
tertiary amine		adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic		202020204.0low000010
bay-k-8644
1
(trifluoromethyl)benzenes;
C-nitro compound;
dihydropyridine;
methyl ester		2011201113.0low000010
bumetanide
1
amino acid;
benzoic acids;
sulfonamide		diuretic;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor		2008200816.0low000100
caffeine
1
purine alkaloid;
trimethylxanthine		adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic		2013201311.0low000010
cl 387785
1
bromobenzenes;
quinazolines;
secondary carboxamide;
ynamide		antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist		2012201212.0low000010
domperidone
1
benzimidazoles;
heteroarylpiperidine		antiemetic;
dopaminergic antagonist		2009200915.0low000100
carbonyl cyanide p-trifluoromethoxyphenylhydrazone
1
aromatic ether;
hydrazone;
nitrile;
organofluorine compound		ATP synthase inhibitor;
geroprotector;
ionophore		2012201212.0low000010
glutaral
1
dialdehydecross-linking reagent;
disinfectant;
fixative		201520159.0low000010
glyburide
1
monochlorobenzenes;
N-sulfonylurea		anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent		2012201212.0low000010
gö6983
1
indoles;
maleimides		2009200915.0low000100
1-(5-isoquinolinesulfonyl)-2-methylpiperazine
3
isoquinolines;
N-sulfonylpiperazine		EC 2.7.11.13 (protein kinase C) inhibitor2005200817.7low000300
fasudil
1
isoquinolines;
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		2005200519.0low000100
haloperidol
1
aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol		antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist		2014201410.0low000010
lidocaine
1
benzenes;
monocarboxylic acid amide;
tertiary amino compound		anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic		201620168.0low000010
1-methyl-3-isobutylxanthine
1
3-isobutyl-1-methylxanthine201820186.0low000010
isoproterenol
4
catechols;
secondary alcohol;
secondary amino compound		beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent		201320207.8low000040
isradipine
1
benzoxadiazole;
dihydropyridine;
isopropyl ester;
methyl ester		201920195.0low000010
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one
1
chromones;
morpholines;
organochlorine compound		autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector		2013201311.0low000010
meclofenamic acid
1
aminobenzoic acid;
organochlorine compound;
secondary amino compound		analgesic;
anticonvulsant;
antineoplastic agent;
antipyretic;
antirheumatic drug;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug		2012201212.0low000010
nocodazole
21
aromatic ketone;
benzimidazoles;
carbamate ester;
thiophenes		antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator		2003201913.0low00010110
ml 7
20
N-sulfonyldiazepane;
organoiodine compound		EC 2.7.11.18 (myosin-light-chain kinase) inhibitor2004201515.1medium0001460
ethylmaleimide
2
maleimidesanticoronaviral 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		2008201512.5low000110
pd 98059
1
aromatic amine;
monomethoxyflavone		EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector		2010201014.0low000100
potassium chloride
4
inorganic chloride;
inorganic potassium salt;
potassium salt		fertilizer2006201315.0low000310
propofol
1
phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative		2008200816.0low000100
propranolol
1
naphthalenes;
propanolamine;
secondary amine		anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic		202020204.0low000010
sodium fluoride
1
fluoride saltmutagen2007200717.0low000100
thiabendazole
1
1,3-thiazoles;
benzimidazole fungicide;
benzimidazoles		antifungal agrochemical;
antinematodal drug		2008200816.0low000100
trifluoperazine
1
N-alkylpiperazine;
N-methylpiperazine;
organofluorine compound;
phenothiazines		antiemetic;
calmodulin antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor;
phenothiazine antipsychotic drug		2006200618.0low000100
w 7
1
202120213.0low000001
mitomycin
1
mitomycinalkylating agent;
antineoplastic agent		2012201212.0low000010
carbachol
1
ammonium salt;
carbamate ester		cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic		2011201113.0low000010
amifampridine
1
aminopyridine2005200519.0low000100
cantharidin
1
cyclic dicarboxylic anhydride;
monoterpenoid		EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
herbicide		2012201212.0low000010
alanine
1
alanine zwitterion;
alanine;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid		EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
fundamental metabolite		2010201014.0low000100
serine
1
L-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		201620168.0low000010
lysine
2
aspartate 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		2012201411.0low000020
adenosine diphosphate
9
adenosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate		fundamental metabolite;
human metabolite		2004202013.7low000540
bromodeoxyuridine
1
pyrimidine 2'-deoxyribonucleosideantimetabolite;
antineoplastic agent		2009200915.0low000100
phenylephrine
2
phenols;
phenylethanolamines;
secondary amino compound		alpha-adrenergic agonist;
cardiotonic drug;
mydriatic agent;
nasal decongestant;
protective agent;
sympathomimetic agent;
vasoconstrictor agent		200920228.5low000101
tyrosine
1
amino 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		2006200618.0low000100
cysteamine
1
amine;
thiol		geroprotector;
human metabolite;
mouse metabolite;
radiation protective agent		2005200519.0low000100
phenylalanine
1
amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
phenylalanine;
proteinogenic amino acid		algal metabolite;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
Escherichia coli metabolite;
human xenobiotic metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite		2006200618.0low000100
colchicine
1
alkaloid;
colchicine		anti-inflammatory agent;
gout suppressant;
mutagen		2013201311.0low000010
cycloheximide
1
antibiotic fungicide;
cyclic ketone;
dicarboximide;
piperidine antibiotic;
piperidones;
secondary alcohol		anticoronaviral agent;
bacterial metabolite;
ferroptosis inhibitor;
neuroprotective agent;
protein synthesis inhibitor		2007200717.0low000100
egtazic acid
2
diether;
tertiary amino compound;
tetracarboxylic acid		chelator201620196.5low000020
valine
1
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid;
valine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite		2007200717.0low000100
threonine
1
amino acid zwitterion;
aspartate family amino acid;
L-alpha-amino acid;
proteinogenic amino acid;
threonine		algal metabolite;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite		201620168.0low000010
alizarin
1
dihydroxyanthraquinonechromophore;
dye;
plant metabolite		2013201311.0low000010
tryptophan
1
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
tryptophan zwitterion;
tryptophan		antidepressant;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite		2006200618.0low000100
isoprene
1
alkadiene;
hemiterpene;
volatile organic compound		plant metabolite201820186.0low000010
acrylamide
1
acrylamides;
N-acylammonia;
primary carboxamide		alkylating agent;
carcinogenic agent;
Maillard reaction product;
mutagen;
neurotoxin		2014201410.0low000010
isosorbide dinitrate
1
glucitol derivative;
nitrate ester		nitric oxide donor;
vasodilator agent		2013201311.0low000010
xanthenes
2
xanthene200820219.5low000101
pyrroles
3
pyrrole;
secondary amine		201520178.3low000030
framycetin
1
aminoglycosideallergen;
antibacterial drug;
Escherichia coli metabolite		2012201212.0low000010
2-naphthol
1
naphtholantinematodal drug;
genotoxin;
human urinary metabolite;
human xenobiotic metabolite;
mouse metabolite;
radical scavenger		201520159.0low000010
quinazolines
3
azaarene;
mancude organic heterobicyclic parent;
ortho-fused heteroarene;
quinazolines		2007201512.7low000120
oxazoles
8
1,3-oxazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene		200920199.6low000170
thiazoles
5
1,3-thiazoles;
mancude organic heteromonocyclic parent;
monocyclic heteroarene		2004201317.6low000410
cuprizone
1
organonitrogen compound;
organooxygen compound		2014201410.0low000010
bicuculline
1
benzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines		agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin		2008200816.0low000100
thiazolidines
25
thiazolidine2004202112.1low00010141
methamphetamine
5
amphetamines;
secondary amine		central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic		201420187.6low000050
2'-deoxyadenosine triphosphate
1
2'-deoxyadenosine 5'-phosphate;
purine 2'-deoxyribonucleoside 5'-triphosphate		Escherichia coli metabolite;
mouse metabolite		2013201311.0low000010
fluorescein-5-isothiocyanate
2
fluorescein isothiocyanate201120218.0low000011
streptomycin
1
antibiotic antifungal drug;
antibiotic fungicide;
streptomycins		antibacterial drug;
antifungal agrochemical;
antimicrobial agent;
antimicrobial drug;
bacterial metabolite;
protein synthesis inhibitor		2011201113.0low000010
gadolinium
2
f-block element atom;
lanthanoid atom		201120218.0low000011
gold
2
copper group element atom;
elemental gold		2009201014.5low000200
tetradecanoylphorbol acetate
1
acetate 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		201820186.0low000010
phosphotyrosine
1
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid;
O(4)-phosphotyrosine		Escherichia coli metabolite;
immunogen		2012201212.0low000010
pyrene
1
ortho- and peri-fused polycyclic arenefluorescent probe;
persistent organic pollutant		2004200420.0low000100
paclitaxel
6
taxane diterpenoid;
tetracyclic diterpenoid		antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent		2007202113.0low000411
phorbol 12,13-dibutyrate
3
butyrate ester;
phorbol ester;
tertiary alpha-hydroxy ketone		2008201511.3low000120
colforsin
1
acetate 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		2013201311.0low000010
valsartan
1
biphenylyltetrazole;
monocarboxylic acid amide;
monocarboxylic acid		angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic		2007200717.0low000100
vanadates
1
trivalent inorganic anion;
vanadium oxoanion		EC 3.1.3.1 (alkaline phosphatase) inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor		2006200618.0low000100
nicotine
2
3-(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		201520187.5low000020
1,8-i-aedans
1
2007200717.0low000100
glucuronic acid
1
D-glucuronic acidalgal metabolite201520159.0low000010
arginyl-glycyl-aspartic acid
3
oligopeptide2009201711.0low000120
paxilline
5
diterpene alkaloid;
enone;
organic heterohexacyclic compound;
terpenoid indole alkaloid;
tertiary alcohol		anticonvulsant;
Aspergillus metabolite;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor;
genotoxin;
geroprotector;
mycotoxin;
Penicillium metabolite;
potassium channel blocker		2009202111.2low000221
ml 9
2
2009201213.5low000110
3'-o-(n-methylanthraniloyl) atp
1
2004200420.0low000100
cyclic adp-ribose
1
cyclic purine nucleotide;
nucleotide-sugar		metabolite;
ryanodine receptor agonist		2007200717.0low000100
glycerophosphoinositol 4,5-bisphosphate
1
2012201212.0low000010
tetraphenylphosphonium
1
heteroorganic entity;
phosphorus molecular entity;
polyatomic cation		2010201014.0low000100
angiotensin ii
2
amino acid zwitterion;
angiotensin II		human metabolite2009201114.0low000110
emd 53998
4
2008201313.5low000220
demecolcine
2
alkaloid;
secondary amino compound		antineoplastic agent;
microtubule-destabilising agent		200820219.5low000101
wortmannin
1
acetate ester;
cyclic ketone;
delta-lactone;
organic heteropentacyclic compound		anticoronaviral agent;
antineoplastic agent;
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector;
Penicillium metabolite;
radiosensitizing agent		2010201014.0low000100
pentabromopseudilin
1
pyrrolesmetabolite201520159.0low000010
leupeptins
1
2003200321.0low000100
fibrin
2
peptide200820219.5low000101
bradykinin
2
oligopeptidehuman blood serum metabolite;
vasodilator agent		201420197.5low000020
elastin
1
oligopeptide201920195.0low000010
ouabain
3
11alpha-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		2010201910.7low000120
monensin
1
cyclic hemiketal;
monocarboxylic acid;
polyether antibiotic;
spiroketal		antifungal agent;
coccidiostat;
ionophore		2010201014.0low000100
phalloidine
4
homodetic cyclic peptide2008201115.0low000310
retinol
1
retinol;
vitamin A		human metabolite;
mouse metabolite;
plant metabolite		201920195.0low000010
latrunculin a
14
cyclic hemiketal;
macrolide;
oxabicycloalkane;
thiazolidinone		actin polymerisation inhibitor;
metabolite;
toxin		2004202112.0low000581
cocaine
1
benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid		adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic		201720177.0low000010
thapsigargin
1
butyrate ester;
organic heterotricyclic compound;
sesquiterpene lactone		calcium channel blocker;
EC 3.6.3.8 (Ca(2+)-transporting ATPase) inhibitor		2011201113.0low000010
y 27632
48
aromatic amide2004202013.3medium00025230
benzyloxycarbonylleucyl-leucyl-leucine aldehyde
1
amino aldehyde;
carbamate ester;
tripeptide		proteasome inhibitor2003200321.0low000100
ck-0944666
1
benzamides;
indoles;
organofluorine compound		actin polymerisation inhibitor2011201113.0low000010
retinol acetate
1
acetate ester201920195.0low000010
arginine vasopressin
1
vasopressincardiovascular drug;
hematologic agent;
mitogen		2008200816.0low000100
wiskostatin
1
carbazoles;
organobromine compound;
secondary alcohol;
tertiary amino compound		2005200519.0low000100
monastrol
1
enoate ester;
ethyl ester;
phenols;
racemate;
thioureas		antileishmanial agent;
antimitotic;
antineoplastic agent;
EC 3.5.1.5 (urease) inhibitor		2007200717.0low000100
u 0126
2
aryl sulfide;
dinitrile;
enamine;
substituted aniline		antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
osteogenesis regulator;
vasoconstrictor agent		2010201611.0low000110
pentachloropseudilin
2
201520178.0medium000020
myelin basic protein
1
2008200816.0low000100
sphingosine
5
sphing-4-eninehuman metabolite;
mouse metabolite		2006201514.2low000410
dinoprostone
1
prostaglandins Ehuman metabolite;
mouse metabolite;
oxytocic		201520159.0low000010
thromboxane a2
1
epoxy monocarboxylic acid;
thromboxanes A		mouse metabolite2012201212.0low000010
genistein
1
7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor		2011201113.0low000010
isotretinoin
1
retinoic acidantineoplastic agent;
keratolytic drug;
teratogenic agent		201920195.0low000010
sphingosine 1-phosphate
3
sphingoid 1-phosphatemouse metabolite;
signalling molecule;
sphingosine-1-phosphate receptor agonist;
T-cell proliferation inhibitor;
vasodilator agent		2010201512.3low000210
su 5402
1
201520159.0low000010
lysophosphatidic acid
3
1-acyl-sn-glycerol 3-phosphate2006201115.0low000210
cytochalasin b
2
cytochalasin;
lactam;
lactone;
organic heterotricyclic compound		actin polymerisation inhibitor;
metabolite;
mycotoxin;
platelet aggregation inhibitor		2010201511.5low000110
calyculin a
8
200920199.6low000170
15-hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic acid
1
2007200717.0low000100
cytochalasin e
1
cytochalasan alkaloidmetabolite201820186.0low000010
cysteine
1
cysteiniumfundamental metabolite2007200717.0low000100
vx680
1
N-arylpiperazine2007200717.0low000100
tetrodotoxin
1
azatetracycloalkane;
oxatetracycloalkane;
quinazoline alkaloid		animal metabolite;
bacterial metabolite;
marine metabolite;
neurotoxin;
voltage-gated sodium channel blocker		2012201212.0low000010
diacetylmonoxime
13
2005202113.6low000751
latrunculin b
11
cyclic hemiketal;
macrolide;
oxabicycloalkane;
thiazolidinone		actin polymerisation inhibitor;
metabolite;
toxin		2005201912.2low000560
sphingosine phosphorylcholine
2
2006200817.0low000200
1-(3-sulfonatopropyl)-4-(beta)(2-(di-n-butylamino)-6-naphthylvinyl)pyridinium betaine
1
2008200816.0low000100
beta-escin
1
triterpenoid saponin202020204.0low000010
fm1 43
1
organic bromide salt;
pyridinium salt;
quaternary ammonium salt;
tertiary amine		fluorochrome2014201410.0low000010
beta-escin
1
201620168.0low000010
lu 208075
1
diarylmethane202120213.0low000001
staurosporine
2
ammonium ion derivative2003201316.0low000110
phosphocreatine
1
phosphagen;
phosphoamino acid		human metabolite;
mouse metabolite		2011201113.0low000010
vacuolin-1
1
2010201014.0low000100
jasplakinolide
12
cyclodepsipeptide;
phenols		actin polymerisation inducer;
animal metabolite;
antifungal agent;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
neuroprotective agent		2004201813.1low000660
omecamtiv mecarbil
1
ureas201820186.0low000010
calcimycin
1
benzoxazole2011201113.0low000010
oligonucleotides
1
201920195.0low000010
endothelin-1
2
201120218.0low000011
nsc 23766
4
hydrochlorideantiviral agent;
apoptosis inducer;
EC 3.6.5.2 (small monomeric GTPase) inhibitor;
muscarinic antagonist		2007201511.8low000130
calpain
1
201720177.0low000010
lucifer yellow
1
organic lithium saltfluorochrome2008200816.0low000100
alexa fluor 546
1
organic heteropentacyclic compoundfluorochrome2005200519.0low000100
ldn 193189
1
pyrimidines201520159.0low000010
mlck peptide
3
2004201416.3medium000210
interleukin-8
1
2007200717.0low000100
mephedrone
1
amphetamines;
aromatic ketone;
secondary amino compound		environmental contaminant;
xenobiotic		201820186.0low000010
ascorbic acid
2
ascorbic acid;
vitamin C		coenzyme;
cofactor;
flour treatment agent;
food antioxidant;
food colour retention agent;
geroprotector;
plant metabolite;
skin lightening agent		2009201313.0low000110
epidermal growth factor
2
201520168.5low000020
transforming growth factor beta
6
201120208.7low000060
okadaic acid
2
ketal2007200717.0low000200
benzyloxycarbonylvalyl-alanyl-aspartyl fluoromethyl ketone
1
2011201113.0low000010
cephalomannine
1
2009200915.0low000100
cytochalasin d
29
2004201912.2low00011180
lactoferrin
1
2009200915.0low000100
apyrase
1
2008200816.0low000100
thromboplastin
1
201520159.0low000010
cyclic gmp
3
3',5'-cyclic purine nucleotide;
guanyl ribonucleotide		Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite		2007201313.7low000120
guanosine 5'-o-(3-thiotriphosphate)
1
nucleoside triphosphate analogue2013201311.0low000010
bl 4162a
1
imidazoquinazolineanticoagulant;
antifibrinolytic drug;
cardiovascular drug;
platelet aggregation inhibitor		201520159.0low000010
sildenafil citrate
1
citrate saltEC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent		2013201311.0low000010
dyngo-4a
1
aromatic alcoholEC 3.6.5.5 (dynamin GTPase) inhibitor201520159.0low000010
concanavalin a
1
2005200519.0low000100
ConditionIndicatedStudiesFirst YearLast YearAverage AgeRelationship StrengthTrialspre-19901990's2000's2010'spost-2020
Abnormality, Heart0
1
201520159.0low000010
Abnormality, Torsion0
1
2006200618.0low000100
Acute Lung Injury0
1
202220222.0low000001
Acute Myelogenous Leukemia0
1
2012201212.0low000010
Acute Respiratory Distress Syndrome0
1
202220222.0low000001
Adenocarcinoma0
2
2004201713.5low000110
Adenocarcinoma Of Kidney0
1
201620168.0low000010
Adenocarcinoma of Lung0
1
201720177.0low000010
Adenocarcinoma, Basal Cell0
2
2004201713.5low000110
Adenoma, Prostatic0
1
202120213.0low000001
Age-Related Memory Disorders0
1
201720177.0low000010
Aging0
1
2012201212.0low000010
Alpha Virus Infections0
1
2011201113.0low000010
Amphetamine Abuse0
1
201620168.0low000010
Amphetamine-Related Disorders0
1
201620168.0low000010
Anasarca0
1
2011201113.0low000010
Anoxemia0
1
201620168.0low000010
Arrhythmia0
4
2010201312.8low000220
Arrhythmias, Cardiac0
4
2010201312.8low000220
Ascites0
1
2011201113.0low000010
Asthma0
1
201820186.0low000010
Asthma, Bronchial0
1
201820186.0low000010
Atrial Fibrillation0
1
2007200717.0low000100
Atrioventricular Block0
1
2008200816.0low000100
Atrioventricular Conduction Block0
1
2008200816.0low000100
Atrioventricular Nodal Re-Entrant Tachycardia0
5
2008201713.0low000320
Atrioventricular Nodal Reentrant Tachycardia0
1
2008200816.0low000100
Auricular Fibrillation0
1
2007200717.0low000100
Autoimmune Diabetes0
1
2012201212.0low000010
Axon Reaction0
1
2004200420.0low000100
Benign Neoplasms0
4
201820215.0low000031
Bladder Neck Obstruction0
2
2011201511.0low000020
Bladder, Overactive0
4
201120197.0low000040
Blood Clot0
5
2007202011.6low000230
Blood Coagulation Disorders0
1
201520159.0low000010
Blood Platelet Disorders0
1
2012201212.0low000010
Blunt Injuries0
1
201720177.0low000010
Brain Ischemia0
1
202020204.0low000010
Breast Cancer0
6
2005202110.5low000141
Breast Neoplasms0
6
2005202110.5low000141
Cancer of Colon0
2
2010201213.0low000110
Cancer of Liver0
2
201520178.0low000020
Cancer of Lung0
4
201120179.5low000040
Cancer of Ovary0
2
201120199.0low000020
Cancer of Pancreas0
1
2004200420.0low000100
Cancer of Prostate0
2
2005201215.5low000110
Carcinoma, Hepatocellular0
2
201520178.0low000020
Carcinoma, Renal Cell0
1
201620168.0low000010
Cardiac Arrest, Sudden0
2
2008200816.0low000200
Cardiac Concussion0
1
201720177.0low000010
Cardiac Hypertrophy0
2
201320226.5low000011
Cardiac Remodeling, Ventricular0
2
2007201413.5low000110
Cardiac Toxicity0
1
202020204.0low000010
Cardiomegaly0
2
201320226.5low000011
Cardiomyopathies0
1
2014201410.0low000010
Cardiomyopathies, Primary0
1
2014201410.0low000010
Cardiomyopathy, Hypertrophic0
3
2008201314.3low000210
Cardiomyopathy, Hypertrophic Obstructive0
3
2008201314.3low000210
Cardiotoxicity0
1
202020204.0low000010
Cardiovascular Stroke0
2
2009201313.0low000110
Carotid Arteriopathies, Traumatic0
1
2011201113.0low000010
Carotid Artery Thrombosis0
1
201520159.0low000010
Cell Transformation, Neoplastic0
1
2013201311.0low000010
Cerebral Ischemia0
1
202020204.0low000010
Chemical Dependence0
1
201920195.0low000010
Chronic Disease0
2
2009201313.0low000110
Chronic Illness0
2
2009201313.0low000110
Chronic Lung Injury0
1
202020204.0low000010
Cirrhosis0
4
2008202012.2low000220
Clinically Isolated CNS Demyelinating Syndrome0
1
2014201410.0low000010
Coagulation Disorders, Blood0
1
201520159.0low000010
Colitis0
1
201520159.0low000010
Colonic Diseases0
1
2014201410.0low000010
Colonic Neoplasms0
2
2010201213.0low000110
Congenital Zika Syndrome0
1
202020204.0low000010
Corpus Luteum Cyst0
1
201920195.0low000010
Cryptosporidiosis0
1
2010201014.0low000100
Cryptosporidium Infection0
1
2010201014.0low000100
Cystitis0
1
201920195.0low000010
Death, Sudden, Cardiac0
2
2008200816.0low000200
Deep Vein Thrombosis0
1
201520159.0low000010
Degenerative Diseases, Central Nervous System0
1
201820186.0low000010
Demyelinating Diseases0
1
2014201410.0low000010
Depression0
1
201920195.0low000010
Dermatitis, Contact, Phototoxic0
1
201620168.0low000010
Diabetes Mellitus, Type 10
1
2012201212.0low000010
Diathesis0
3
2008201314.3low000210
Disease Exacerbation0
2
201020199.5low000110
Disease Models, Animal0
18
2007202010.4low0004140
Dupuytren Contracture0
1
2010201014.0low000100
Dupuytren's Contracture0
1
2010201014.0low000100
E coli Infections0
1
2014201410.0low000010
Edema0
1
2011201113.0low000010
Encephalitis, Polio0
1
2011201113.0low000010
Erectile Dysfunction0
1
2012201212.0low000010
Escherichia coli Infections0
1
2014201410.0low000010
Experimental Neoplasms0
2
201220217.5low000011
Fibrosarcoma0
1
2009200915.0low000100
Fibrosis0
4
2008202012.2low000220
Gasser Syndrome0
1
2014201410.0low000010
Genetic Predisposition0
1
2012201212.0low000010
Glial Cell Tumors0
1
2014201410.0low000010
Glioma0
1
2014201410.0low000010
Heart Defects, Congenital0
1
201520159.0low000010
Heart Disease, Ischemic0
1
2012201212.0low000010
Hemolytic-Uremic Syndrome0
1
2014201410.0low000010
Hemorrhagic Thrombocythemia0
1
201520159.0low000010
Hepatocellular Carcinoma0
2
201520178.0low000020
Hyperplasia0
1
2011201113.0low000010
Hypertrophy0
1
201520159.0low000010
Hypertrophy, Left Ventricular0
1
2013201311.0low000010
Hypoxia0
1
201620168.0low000010
Idiopathic Parkinson Disease0
1
201920195.0low000010
Impotence0
1
2012201212.0low000010
Inflammation0
2
2010201810.0low000110
Injury, Ischemia-Reperfusion0
3
201820204.7low000030
Injury, Myocardial Reperfusion0
1
201520159.0low000010
Innate Inflammatory Response0
2
2010201810.0low000110
Invasiveness, Neoplasm0
9
2004201712.7low000270
Keloid0
1
202020204.0low000010
Left Ventricular Hypertrophy0
1
2013201311.0low000010
Leukemia, Lymphocytic0
1
2010201014.0low000100
Leukemia, Lymphoid0
1
2010201014.0low000100
Leukemia, Myeloid, Acute0
1
2012201212.0low000010
Limb-Girdle Muscular Dystrophies0
1
2014201410.0low000010
Liver Neoplasms0
2
201520178.0low000020
Lung Adenocarcinoma0
1
201720177.0low000010
Lung Injury, Acute0
1
202220222.0low000001
Lung Neoplasms0
4
201120179.5low000040
Malignant Melanoma0
2
2011201312.0low000020
Malignant Mesothelioma0
1
202020204.0low000010
Melanoma0
2
2011201312.0low000020
Memory Disorders0
1
201720177.0low000010
Metastase0
5
201020189.6low000140
Muscle Contraction0
36
2004202113.0medium00018171
Muscle Disorders0
1
201820186.0low000010
Muscle Relaxation0
5
2009202010.2low000140
Muscular Diseases0
1
201820186.0low000010
Muscular Dystrophies, Limb-Girdle0
1
2014201410.0low000010
Myocardial Infarction0
2
2009201313.0low000110
Myocardial Ischemia0
1
2012201212.0low000010
Neointima0
1
2011201113.0low000010
Neoplasm Metastasis0
5
201020189.6low000140
Neoplasms0
4
201820215.0low000031
Nephritis0
1
2010201014.0low000100
Neurodegenerative Diseases0
1
201820186.0low000010
Ovarian Cysts0
1
201920195.0low000010
Ovarian Neoplasms0
2
201120199.0low000020
Palsy0
1
202320231.0low000001
Pancreatic Neoplasms0
1
2004200420.0low000100
Paralysis0
1
202320231.0low000001
Parkinson Disease0
1
201920195.0low000010
Poliomyelitis0
1
2011201113.0low000010
Polyploid0
4
2004201216.0low000220
Pregnancy0
1
2013201311.0low000010
Prostatic Hyperplasia0
1
202120213.0low000001
Prostatic Neoplasms0
2
2005201215.5low000110
Reperfusion Injury0
3
201820204.7low000030
Respiratory Distress Syndrome0
1
202220222.0low000001
Rigor Mortis0
1
201520159.0low000010
Substance-Related Disorders0
1
201920195.0low000010
Tachyarrhythmia0
1
2007200717.0low000100
Tachycardia0
1
2007200717.0low000100
Tachycardia, Ventricular0
5
2008201713.0low000320
Thrombocythemia, Essential0
1
201520159.0low000010
Thrombocytopathy0
1
2012201212.0low000010
Thrombocytopenia0
2
2010201312.5low000110
Thrombopenia0
2
2010201312.5low000110
Thrombosis0
5
2007202011.6low000230
Ureteral Obstruction0
1
2010201014.0low000100
Urinary Bladder, Overactive0
4
201120197.0low000040
Vascular Diseases0
1
2009200915.0low000100
Venous Thrombosis0
1
201520159.0low000010
Ventricular Dysfunction0
1
2014201410.0low000010
Ventricular Fibrillation0
2
2012201311.5low000020
Zika Virus Infection0
1
202020204.0low000010

Safety/Toxicity (2)

ArticleYear
Intravesical administration of blebbistatin prevents cyclophosphamide-induced toxicity of the urinary bladder in female Wistar rats.
Neurourology and urodynamics, , Volume: 38, Issue:4		2019
Phototoxicity and photoinactivation of blebbistatin in UV and visible light.
Biochemical and biophysical research communications, , Jul-30, Volume: 320, Issue:3		2004

Pharmacokinetics (2)

ArticleYear
Volume Adaptation Controls Stem Cell Mechanotransduction.
ACS applied materials & interfaces, , Dec-11, Volume: 11, Issue:49		2019
Stamp wound assay for studying coupled cell migration and cell debris clearance.
Langmuir : the ACS journal of surfaces and colloids, , Nov-16, Volume: 26, Issue:22		2010

Dosage (1)

ArticleYear
Activation of mTORC1 signalling in rat skeletal muscle is independent of the EC-coupling sequence but dependent on tension per se in a dose-response relationship.
Acta physiologica (Oxford, England), , Volume: 227, Issue:3		2019

Natural Sources (1)

ArticleYear
Matrix stiffness reverses the effect of actomyosin tension on cell proliferation.
Journal of cell science, , Dec-15, Volume: 125, Issue:Pt 24		2012