| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
ammonium hydroxide
azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2. | 3.07 | 1 | 0 | azane;
gas molecular entity;
mononuclear parent hydride | EC 3.5.1.4 (amidase) inhibitor;
metabolite;
mouse metabolite;
neurotoxin;
NMR chemical shift reference compound;
nucleophilic reagent;
refrigerant |
melatonin
[no description available] | 3.25 | 1 | 0 | acetamides;
tryptamines | anticonvulsant;
central nervous system depressant;
geroprotector;
hormone;
human metabolite;
immunological adjuvant;
mouse metabolite;
radical scavenger |
carbonyl cyanide m-chlorophenyl hydrazone
Carbonyl Cyanide m-Chlorophenyl Hydrazone: A proton ionophore. It is commonly used as an uncoupling agent and inhibitor of photosynthesis because of its effects on mitochondrial and chloroplast membranes.. CCCP : A member of the class of monochlorobenzenes that is benzene substituted by 2-(1,3-dinitrilopropan-2-ylidene)hydrazinyl and chloro groups at positions 1 and 3, respectively. It is a mitochondrial depolarizing agent that induces reactive oxygen species mediated cell death. | 2.08 | 1 | 0 | hydrazone;
monochlorobenzenes;
nitrile | antibacterial agent;
geroprotector;
ionophore |
dimethadione
Dimethadione: An anticonvulsant that is the active metabolite of TRIMETHADIONE. | 1.97 | 1 | 0 | oxazolidinone | |
ag 1879
3-(4-chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine: Fyn kinase inhibitor | 3.25 | 1 | 0 | aromatic amine;
monochlorobenzenes;
pyrazolopyrimidine | beta-adrenergic antagonist;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector |
methylamine
methyl group : An alkyl group that is the univalent group derived from methane by removal of a hydrogen atom. | 1.97 | 1 | 0 | methylamines;
one-carbon compound;
primary aliphatic amine | mouse metabolite |
8-bromo cyclic adenosine monophosphate
8-Bromo Cyclic Adenosine Monophosphate: A long-acting derivative of cyclic AMP. It is an activator of cyclic AMP-dependent protein kinase, but resistant to degradation by cyclic AMP phosphodiesterase.. 8-Br-cAMP : A 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP bearing an additional bromo substituent at position 8 on the adenine ring. An activator of cyclic AMP-dependent protein kinase, but resistant to degradation by cyclic AMP phosphodiesterase. | 2 | 1 | 0 | 3',5'-cyclic purine nucleotide;
adenyl ribonucleotide;
organobromine compound | antidepressant;
protein kinase agonist |
adenosine
quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit | 3.07 | 1 | 0 | adenosines;
purines D-ribonucleoside | analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent |
triptolide
[no description available] | 3.25 | 1 | 0 | diterpenoid;
epoxide;
gamma-lactam;
organic heteroheptacyclic compound | antispermatogenic agent;
plant metabolite |
1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone
1-((3,5-dichloro)-2,6-dihydroxy-4-methoxyphenyl)-1-hexanone: structure given in first source. 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one : A differentiation-inducing factor that is hexaphenone bearing two chloro substituents at positions 3 and 5, two hydroxy substituents at positions 2 and 6 as well as a single methoxy substituent at position 4. A secreted, chlorinated molecule that controls cell fate during development of Dictyostelium cells. | 5.47 | 12 | 0 | dichlorobenzene;
differentiation-inducing factor;
monomethoxybenzene;
resorcinols | eukaryotic metabolite;
signalling molecule |
1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl-)-1-pentanone
1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl-)-1-pentanone: structure given in first source; endogenous differention-inducing factor; induces stalk-cell differentiation in the cellular slime mold Dictyostelium discoideum. 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)pentan-1-one : A differentiation-inducing factor that is pentaphenone bearing two chloro substituents at positions 3 and 5, two hydroxy substituents at positions 2 and 6 as well as a single methoxy substituent at position 4. A secreted, chlorinated molecule that controls cell fate during development of Dictyostelium cells. | 5.97 | 11 | 0 | dichlorobenzene;
differentiation-inducing factor;
monomethoxybenzene;
resorcinols | eukaryotic metabolite;
signalling molecule |
leupeptins
Leupeptins: A group of acylated oligopeptides produced by Actinomycetes that function as protease inhibitors. They have been known to inhibit to varying degrees trypsin, plasmin, KALLIKREINS, papain and the cathepsins. | 2.01 | 1 | 0 | | |
lithium chloride
Lithium Chloride: A salt of lithium that has been used experimentally as an immunomodulator.. lithium chloride : A metal chloride salt with a Li(+) counterion. | 2.01 | 1 | 0 | inorganic chloride;
lithium salt | antimanic drug;
geroprotector |
acetylleucyl-leucyl-norleucinal
acetylleucyl-leucyl-norleucinal: a proteasome inhibitor. acetylleucyl-leucyl-norleucinal : A tripeptide composed of N-acetylleucyl, leucyl and norleucinal residues joined in sequence. | 2.01 | 1 | 0 | aldehyde;
tripeptide | cysteine protease inhibitor |
resveratrol
trans-resveratrol : A resveratrol in which the double bond has E configuration. | 3.25 | 1 | 0 | resveratrol | antioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger |
IPA-3
IPA-3 : An organic disulfide obtained by oxidative dimerisation of 1-sulfanylnaphthalen-2-ol. | 3.25 | 1 | 0 | naphthols;
organic disulfide | EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
propolin c
propolin C: a PAK1 inhibitor; from Taiwanese propolis; structure in first source. nymphaeol A : A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy group at positions 5, 7, 3' and 4' and a geranyl group at position 6. Isolated from Macaranga tanarius and propolis collected in Okinawa, it exhibits radical scavenging activity. | 3.25 | 1 | 0 | 4'-hydroxyflavanones;
tetrahydroxyflavanone | metabolite;
radical scavenger |
caffeic acid
trans-caffeic acid : The trans-isomer of caffeic acid. | 3.25 | 1 | 0 | caffeic acid | geroprotector;
mouse metabolite |
curcumin
Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes.. curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa. | 3.25 | 1 | 0 | aromatic ether;
beta-diketone;
diarylheptanoid;
enone;
polyphenol | anti-inflammatory agent;
antifungal agent;
antineoplastic agent;
biological pigment;
contraceptive drug;
dye;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
EC 1.8.1.9 (thioredoxin reductase) inhibitor;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 3.5.1.98 (histone deacetylase) inhibitor;
flavouring agent;
food colouring;
geroprotector;
hepatoprotective agent;
immunomodulator;
iron chelator;
ligand;
lipoxygenase inhibitor;
metabolite;
neuroprotective agent;
nutraceutical;
radical scavenger |
mycophenolate mofetil
mycophenolate mofetil : A carboxylic ester resulting from the formal condensation between the carboxylic acid group of mycophenolic acid and the hydroxy group of 2-(morpholin-4-yl)ethanol. In the liver, it is metabolised to mycophenolic acid, an immunosuppressant for which it is a prodrug. It is widely used to prevent tissue rejection following organ transplants as well as for the treatment of certain autoimmune diseases. | 3.25 | 1 | 0 | carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound | anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug |
cucurbitacin i
cucurbitacin I: toxic constituent in edible gourd; see also records for cucurbitacins & specific cucurbitacins. cucurbitacin I : A cucurbitacin that is 9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-triene substituted by hydroxy groups at positions 2, 16, 20 and 25 and oxo groups at positions 1, 11 and 22. | 3.25 | 1 | 0 | cucurbitacin;
tertiary alpha-hydroxy ketone | antineoplastic agent;
plant metabolite |
caffeic acid phenethyl ester
phenethyl caffeate : An alkyl caffeate ester in which 2-phenylethyl is the alkyl component. | 3.25 | 1 | 0 | alkyl caffeate ester | anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent |
artepillin c
artepillin C: RN refers to (E)-isomer | 3.25 | 1 | 0 | | |
nymphaeol c
nymphaeol C: from the leaves of Macaranga tanarius; structure in first source. nymphaeol C : A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy group at positions 5, 7, 3' and 4', a geranyl group at position 2' and a prenyl group at position 6. Isolated from Macaranga tanarius and propolis collected in Okinawa, it exhibits radical scavenging activity. | 3.25 | 1 | 0 | 4'-hydroxyflavanones;
tetrahydroxyflavanone | metabolite;
radical scavenger |
ym 155
sepantronium bromide : An organic bromide salt consisting of sepantronium cations and bromide anions. It has been found to selectively inhibit survivin (BIRC5) gene promoter activity and to down-regulate survivin in vitro, so leading to induction of apoptosis. | 3.25 | 1 | 0 | organic bromide salt | antineoplastic agent;
apoptosis inducer;
survivin suppressant |
acid phosphatase
Acid Phosphatase: An enzyme that catalyzes the conversion of an orthophosphoric monoester and water to an alcohol and orthophosphate. EC 3.1.3.2. | 1.97 | 1 | 0 | | |
4,4-difluoro-4-bora-3a,4a-diaza-s-indacene
[no description available] | 2.08 | 1 | 0 | BODIPY compound | |
14-o-phosphonooxymethyltriptolide
14-O-phosphonooxymethyltriptolide disodium salt: pro-drug of triptolide; has antineoplastic activity | 3.25 | 1 | 0 | | |
frax486
[no description available] | 3.25 | 1 | 0 | | |
frax597
FRAX597: structure in first source | 3.25 | 1 | 0 | | |
cyclin d1
Cyclin D1: Protein encoded by the bcl-1 gene which plays a critical role in regulating the cell cycle. Overexpression of cyclin D1 is the result of bcl-1 rearrangement, a t(11;14) translocation, and is implicated in various neoplasms. | 2.73 | 3 | 0 | | |
cyclic gmp
Cyclic GMP: Guanosine cyclic 3',5'-(hydrogen phosphate). A guanine nucleotide containing one phosphate group which is esterified to the sugar moiety in both the 3'- and 5'-positions. It is a cellular regulatory agent and has been described as a second messenger. Its levels increase in response to a variety of hormones, including acetylcholine, insulin, and oxytocin and it has been found to activate specific protein kinases. (From Merck Index, 11th ed). 3',5'-cyclic GMP : A 3',5'-cyclic purine nucleotide in which the purine nucleobase is specified as guanidine. | 1.97 | 1 | 0 | 3',5'-cyclic purine nucleotide;
guanyl ribonucleotide | Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite |
ag-879
AG-879: structure given in first source | 3.25 | 1 | 0 | | |
concanavalin a
Concanavalin A: A MANNOSE/GLUCOSE binding lectin isolated from the jack bean (Canavalia ensiformis). It is a potent mitogen used to stimulate cell proliferation in lymphocytes, primarily T-lymphocyte, cultures. | 2.06 | 1 | 0 | | |