Page last updated: 2024-10-24

postsynaptic membrane

Definition

Target type: cellularcomponent

A specialized area of membrane facing the presynaptic membrane on the tip of the nerve ending and separated from it by a minute cleft (the synaptic cleft). Neurotransmitters cross the synaptic cleft and transmit the signal to the postsynaptic membrane. [ISBN:0198506732]

The postsynaptic membrane is a specialized region of the plasma membrane of a neuron that receives signals from presynaptic neurons. It is characterized by the presence of a high concentration of neurotransmitter receptors, which bind to neurotransmitters released from the presynaptic neuron. The postsynaptic membrane is also enriched in various proteins, including scaffolding proteins, signaling molecules, and ion channels. These proteins work together to mediate the transmission of signals across the synapse.

The postsynaptic membrane is a complex structure that can be divided into several distinct components:

* **Neurotransmitter receptors:** These proteins bind to neurotransmitters released from the presynaptic neuron, triggering a cascade of events that ultimately lead to a change in the postsynaptic neuron's electrical activity.
* **Scaffolding proteins:** These proteins act as a framework for organizing and anchoring other proteins, such as receptors and signaling molecules, at the postsynaptic membrane.
* **Signaling molecules:** These proteins are involved in transmitting signals from neurotransmitter receptors to other cellular components, such as ion channels.
* **Ion channels:** These proteins form pores in the postsynaptic membrane that allow ions to flow in and out of the cell. This movement of ions can lead to a change in the postsynaptic neuron's electrical potential.

The postsynaptic membrane is essential for the proper functioning of the nervous system. It allows neurons to communicate with each other, which is essential for all aspects of brain function, including learning, memory, and behavior.

In addition to the components listed above, the postsynaptic membrane may also contain other proteins, such as:

* **Adhesion molecules:** These proteins help to anchor the postsynaptic membrane to the presynaptic membrane, ensuring that the two membranes are correctly aligned for synaptic transmission.
* **Enzymes:** These proteins catalyze specific biochemical reactions, such as the synthesis or degradation of neurotransmitters.
* **Transporters:** These proteins move molecules across the postsynaptic membrane, such as neurotransmitters or ions.

The specific composition of the postsynaptic membrane can vary depending on the type of synapse and the neurons involved. However, the general principles of postsynaptic membrane organization and function are conserved throughout the nervous system.'
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Proteins (95)

ProteinDefinitionTaxonomy
Gamma-aminobutyric acid receptor subunit alpha-4A gamma-aminobutyric acid receptor subunit alpha-4 that is encoded in the genome of cow. [OMA:P20237, PRO:DNx]Bos taurus (cattle)
Gamma-aminobutyric acid receptor subunit alpha-3A gamma-aminobutyric acid receptor subunit alpha-3 that is encoded in the genome of cow. [OMA:P10064, PRO:DNx]Bos taurus (cattle)
Gamma-aminobutyric acid receptor subunit alpha-2A protein that is a translation product of any of the 2 copies of the GABRA2 gene in cow. [PRO:DAN, UniProtKB:P10063]Bos taurus (cattle)
Gamma-aminobutyric acid receptor subunit beta-1A gamma-aminobutyric acid receptor subunit beta-1 that is encoded in the genome of cow. [OMA:P08220, PRO:DNx]Bos taurus (cattle)
Neuronal acetylcholine receptor subunit alpha-4A neuronal acetylcholine receptor subunit alpha-4 that is encoded in the genome of chicken. [PANTHER:PTHR18945:SF84, PRO:DNx]Gallus gallus (chicken)
Potassium voltage-gated channel subfamily C member 3A voltage-gated potassium channel KCNC3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q14003]Homo sapiens (human)
Potassium voltage-gated channel subfamily D member 1A voltage-gated potassium channel KCND1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q9NSA2]Homo sapiens (human)
Potassium voltage-gated channel subfamily D member 3A voltage-gated potassium channel KCND3 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q9UK17]Homo sapiens (human)
Diacylglycerol lipase-alphaA diacylglycerol lipase-alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y4D2]Homo sapiens (human)
Potassium voltage-gated channel subfamily D member 2A voltage-gated potassium channel KCND2 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q9NZV8]Homo sapiens (human)
Potassium voltage-gated channel subfamily B member 1A voltage-gated potassium channel KCNB1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q14721]Homo sapiens (human)
Potassium voltage-gated channel subfamily C member 1A voltage-gated potassium channel KCNC1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P48547]Homo sapiens (human)
Potassium voltage-gated channel subfamily C member 2A voltage-gated potassium channel KCNC2 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q96PR1]Homo sapiens (human)
Potassium voltage-gated channel subfamily C member 4A voltage-gated potassium channel KCNC4 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q03721]Homo sapiens (human)
Calcium-activated potassium channel subunit alpha-1A calcium-activated potassium channel subunit alpha-1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q12791]Homo sapiens (human)
Gamma-aminobutyric acid receptor subunit thetaA gamma-aminobutyric acid receptor subunit theta that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UN88]Homo sapiens (human)
Neuronal acetylcholine receptor subunit alpha-9A neuronal acetylcholine receptor subunit alpha-9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UGM1]Homo sapiens (human)
Gamma-aminobutyric acid type B receptor subunit 1A gamma-aminobutyric acid type B receptor subunit 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UBS5]Homo sapiens (human)
Potassium voltage-gated channel subfamily D member 2A voltage-gated potassium channel KCND2 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q9NZV8]Homo sapiens (human)
Monoacylglycerol lipase ABHD6A monoacylglycerol lipase ABHD6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9BV23]Homo sapiens (human)
Gamma-aminobutyric acid receptor subunit gamma-3A gamma-aminobutyric acid receptor subunit gamma-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q99928]Homo sapiens (human)
Potassium voltage-gated channel subfamily C member 2A voltage-gated potassium channel KCNC2 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q96PR1]Homo sapiens (human)
Lysophosphatidic acid receptor 1A lysophosphatidic acid receptor 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q92633]Homo sapiens (human)
5-hydroxytryptamine receptor 3CA 5-hydroxytryptamine receptor 3C that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8WXA8]Homo sapiens (human)
Transient receptor potential cation channel subfamily V member 1A transient receptor potential cation channel TRPV1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q8NER1]Homo sapiens (human)
Gamma-aminobutyric acid receptor subunit gamma-1A gamma-aminobutyric acid receptor subunit gamma-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q8N1C3]Homo sapiens (human)
5-hydroxytryptamine receptor 3DA 5-hydroxytryptamine receptor 3D that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q70Z44]Homo sapiens (human)
Neuronal acetylcholine receptor subunit alpha-6A neuronal acetylcholine receptor subunit alpha-6 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15825]Homo sapiens (human)
Neuronal acetylcholine receptor subunit alpha-2A neuronal acetylcholine receptor subunit alpha-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15822]Homo sapiens (human)
Receptor tyrosine-protein kinase erbB-4A receptor tyrosine-protein kinase erbB-4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15303]Homo sapiens (human)
Glutamate receptor ionotropic, NMDA 2CA glutamate receptor ionotropic, NMDA 2C that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q14957]Homo sapiens (human)
Sodium/hydrogen exchanger 5A sodium/hydrogen exchanger 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q14940]Homo sapiens (human)
Metabotropic glutamate receptor 3A metabotropic glutamate receptor 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q14832]Homo sapiens (human)
Metabotropic glutamate receptor 7A metabotropic glutamate receptor 7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q14831]Homo sapiens (human)
Glutamate receptor ionotropic, NMDA 2BA glutamate receptor ionotropic, NMDA 2B that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13224]Homo sapiens (human)
Glutamate receptor ionotropic, NMDA 2AA glutamate receptor ionotropic, NMDA 2A that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q12879]Homo sapiens (human)
Potassium voltage-gated channel subfamily A member 1A voltage-gated potassium channel subunit KCNA1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q09470]Homo sapiens (human)
Acetylcholine receptor subunit deltaAn acetylcholine receptor subunit delta that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q07001]Homo sapiens (human)
Neuronal acetylcholine receptor subunit beta-3A neuronal acetylcholine receptor subunit beta-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q05901]Homo sapiens (human)
Glutamate receptor ionotropic, NMDA 1A glutamate receptor ionotropic, NMDA 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q05586]Homo sapiens (human)
Acetylcholine receptor subunit epsilonAn acetylcholine receptor subunit epsilon that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q04844]Homo sapiens (human)
Sodium-dependent dopamine transporter A sodium-dependent dopamine transporter that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q01959]Homo sapiens (human)
Disks large homolog 4A disks large homolog 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P78352]Homo sapiens (human)
Gamma-aminobutyric acid receptor subunit epsilonA gamma-aminobutyric acid receptor subunit epsilon that is encoded in the genome of human. [PRO:DNx, UniProtKB:P78334]Homo sapiens (human)
P2X purinoceptor 1A P2X purinoceptor 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P51575]Homo sapiens (human)
Dynamin-2A dynamin-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P50570]Homo sapiens (human)
Glycine receptor subunit betaA glycine receptor subunit beta that is encoded in the genome of human. [PRO:DNx, UniProtKB:P48167]Homo sapiens (human)
Sodium- and chloride-dependent glycine transporter 1A sodium- and chloride-dependent glycine transporter 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P48067]Homo sapiens (human)
Sodium- and chloride-dependent GABA transporter 3A sodium- and chloride-dependent GABA transporter 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P48066]Homo sapiens (human)
P2Y purinoceptor 1A P2Y purinoceptor 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P47900]Homo sapiens (human)
UtrophinA utrophin that is encoded in the genome of human. [PRO:DNx, UniProtKB:P46939]Homo sapiens (human)
5-hydroxytryptamine receptor 3AA 5-hydroxytryptamine receptor 3A that is encoded in the genome of human. [PRO:DNx, UniProtKB:P46098]Homo sapiens (human)
Neuronal acetylcholine receptor subunit alpha-4A neuronal acetylcholine receptor subunit alpha-4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P43681]Homo sapiens (human)
Glutamate receptor 3A glutamate receptor 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P42263]Homo sapiens (human)
Glutamate receptor 1A glutamate receptor 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P42261]Homo sapiens (human)
Kappa-type opioid receptorA kappa-type opioid receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:P41145]Homo sapiens (human)
Neuronal acetylcholine receptor subunit alpha-7A neuronal acetylcholine receptor subunit alpha-7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P36544]Homo sapiens (human)
Catenin beta-1A catenin beta-1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P35222]Homo sapiens (human)
Gamma-aminobutyric acid receptor subunit alpha-3A gamma-aminobutyric acid receptor subunit alpha-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P34903]Homo sapiens (human)
Neuronal acetylcholine receptor subunit alpha-3A neuronal acetylcholine receptor subunit alpha-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P32297]Homo sapiens (human)
Sodium-dependent serotonin transporterA sodium-dependent serotonin transporter that is encoded in the genome of human. [PRO:DNx, UniProtKB:P31645]Homo sapiens (human)
Sodium- and chloride-dependent taurine transporterA sodium- and chloride-dependent taurine transporter that is encoded in the genome of human. [PRO:DNx, UniProtKB:P31641]Homo sapiens (human)
Neuronal acetylcholine receptor subunit beta-4A neuronal acetylcholine receptor subunit beta-4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P30926]Homo sapiens (human)
Adenosine receptor A1An adenosine receptor A1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P30542]Homo sapiens (human)
Neuronal acetylcholine receptor subunit alpha-5A neuronal acetylcholine receptor subunit alpha-5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P30532]Homo sapiens (human)
Sodium- and chloride-dependent GABA transporter 1A sodium- and chloride-dependent GABA transporter 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P30531]Homo sapiens (human)
Ephrin type-B receptor 2An ephrin type-B receptor 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P29323]Homo sapiens (human)
Adenosine receptor A2aAn adenosine receptor A2a that is encoded in the genome of human. [PRO:WCB, UniProtKB:P29274]Homo sapiens (human)
Gamma-aminobutyric acid receptor subunit rho-2A gamma-aminobutyric acid receptor subunit rho-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P28476]Homo sapiens (human)
5-hydroxytryptamine receptor 2AA 5-hydroxytryptamine receptor 2A that is encoded in the genome of human. [PRO:WCB, UniProtKB:P28223]Homo sapiens (human)
Integrin alpha-3An integrin alpha-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P26006]Homo sapiens (human)
Proteinase-activated receptor 1A proteinase-activated receptor 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P25116]Homo sapiens (human)
Gamma-aminobutyric acid receptor subunit rho-1A gamma-aminobutyric acid receptor subunit rho-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P24046]Homo sapiens (human)
Glycine receptor subunit alpha-2A glycine receptor subunit alpha-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P23416]Homo sapiens (human)
Glycine receptor subunit alpha-1A glycine receptor subunit alpha-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P23415]Homo sapiens (human)
Potassium voltage-gated channel subfamily A member 3A voltage-gated potassium channel subunit KCNA3 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P22001]Homo sapiens (human)
D(1A) dopamine receptorA D(1A) dopamine receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:P21728]Homo sapiens (human)
Muscarinic acetylcholine receptor M3A muscarinic acetylcholine receptor M3 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P20309]Homo sapiens (human)
Potassium voltage-gated channel subfamily A member 2A voltage-gated potassium channel subunit KCNA2 that is encoded in the genome of human. []Homo sapiens (human)
D(2) dopamine receptorA D(2) dopamine receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:P14416]Homo sapiens (human)
Muscarinic acetylcholine receptor M5A muscarinic acetylcholine receptor M5 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P08912]Homo sapiens (human)
Integrin alpha-5An integrin alpha-5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08648]Homo sapiens (human)
Muscarinic acetylcholine receptor M4A muscarinic acetylcholine receptor M4 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P08173]Homo sapiens (human)
Muscarinic acetylcholine receptor M2A muscarinic acetylcholine receptor M2 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P08172]Homo sapiens (human)
Acetylcholine receptor subunit gammaAn acetylcholine receptor subunit gamma that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07510]Homo sapiens (human)
Integrin beta-3An integrin beta-3 that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Acetylcholine receptor subunit alphaAn acetylcholine receptor subunit alpha that is encoded in the genome of human. [PRO:DNx, UniProtKB:P02708]Homo sapiens (human)
5-hydroxytryptamine receptor 3BA 5-hydroxytryptamine receptor 3B that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95264]Homo sapiens (human)
Gamma-aminobutyric acid type B receptor subunit 2A gamma-aminobutyric acid type B receptor subunit 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O75899]Homo sapiens (human)
Glutamate receptor ionotropic, NMDA 2DA glutamate receptor ionotropic, NMDA 2D that is encoded in the genome of human. [PRO:DNx, UniProtKB:O15399]Homo sapiens (human)
Muscle, skeletal receptor tyrosine-protein kinaseA muscle, skeletal receptor tyrosine-protein kinase that is encoded in the genome of human. [PRO:DNx, UniProtKB:O15146]Homo sapiens (human)
Neuropilin-1A neuropilin-1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:O14786]Homo sapiens (human)
Gamma-aminobutyric acid receptor subunit deltaA gamma-aminobutyric acid receptor subunit delta that is encoded in the genome of human. [PRO:DNx, UniProtKB:O14764]Homo sapiens (human)
Gamma-aminobutyric acid receptor subunit rho-3A gamma-aminobutyric acid receptor subunit rho-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:A8MPY1]Homo sapiens (human)
5-hydroxytryptamine receptor 3EA 5-hydroxytryptamine receptor 3E that is encoded in the genome of human. [PRO:DNx, UniProtKB:A5X5Y0]Homo sapiens (human)

Compounds (2,348)

CompoundDefinitionClassesRoles
9-ethyladenine
1,2,4-trichlorobenzene1,2,4-trichlorobenzene : A trichlorobenzene with chloro substituents at positions 1, 2 and 4.trichlorobenzene
gamma-aminobutyric acidgamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4.

gamma-Aminobutyric Acid: The most common inhibitory neurotransmitter in the central nervous system.
amino acid zwitterion;
gamma-amino acid;
monocarboxylic acid
human metabolite;
neurotransmitter;
Saccharomyces cerevisiae metabolite;
signalling molecule
4-hydroxybenzoic acid4-hydroxybenzoic acid : A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring.monohydroxybenzoic acidalgal metabolite;
plant metabolite
aminolevulinic acid5-aminolevulinic acid : The simplest delta-amino acid in which the hydrogens at the gamma position are replaced by an oxo group. It is metabolised to protoporphyrin IX, a photoactive compound which accumulates in the skin. Used (in the form of the hydrochloride salt)in combination with blue light illumination for the treatment of minimally to moderately thick actinic keratosis of the face or scalp.

Aminolevulinic Acid: A compound produced from succinyl-CoA and GLYCINE as an intermediate in heme synthesis. It is used as a PHOTOCHEMOTHERAPY for actinic KERATOSIS.
4-oxo monocarboxylic acid;
amino acid zwitterion;
delta-amino acid
antineoplastic agent;
dermatologic drug;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
photosensitizing agent;
plant metabolite;
prodrug;
Saccharomyces cerevisiae metabolite
5-aminovaleric acid5-aminopentanoic acid : A delta-amino acid comprising pentanoic acid with an amino substituent at C-5; a methylene homologue of gamma-aminobutyric acid (GABA) that is a weak GABA agonist.

5-aminovaleric acid: from red fox anal secretion; RN given refers to parent cpd
amino acid zwitterion;
delta-amino acid;
omega-amino fatty acid
human metabolite
quinacrinequinacrine : A member of the class of acridines that is acridine substituted by a chloro group at position 6, a methoxy group at position 2 and a [5-(diethylamino)pentan-2-yl]nitrilo group at position 9.

Quinacrine: An acridine derivative formerly widely used as an antimalarial but superseded by chloroquine in recent years. It has also been used as an anthelmintic and in the treatment of giardiasis and malignant effusions. It is used in cell biological experiments as an inhibitor of phospholipase A2.
acridines;
aromatic ether;
organochlorine compound;
tertiary amino compound
antimalarial;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor
beta-alanineamino acid zwitterion;
beta-amino acid
agonist;
fundamental metabolite;
human metabolite;
inhibitor;
neurotransmitter
benzenearomatic annulene;
benzenes;
volatile organic compound
carcinogenic agent;
environmental contaminant;
non-polar solvent
chlordeconecyclic ketone;
organochlorine compound
insecticide;
persistent organic pollutant
2,3-diaminopropionic acid3-aminoalanine : A diamino acid that is alanine in which one of the hydrogens of the methyl group is replaced by an amino group.alanine derivative;
amino acid zwitterion;
beta-amino acid;
diamino acid;
non-proteinogenic alpha-amino acid
Escherichia coli metabolite
gallic acidgallate : A trihydroxybenzoate that is the conjugate base of gallic acid.trihydroxybenzoic acidantineoplastic agent;
antioxidant;
apoptosis inducer;
astringent;
cyclooxygenase 2 inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
geroprotector;
human xenobiotic metabolite;
plant metabolite
nornicotinenornicotine: agricultural or horticultural insecticide; RN given refers to (+-)-isomer; structure
bupropionbupropion : An aromatic ketone that is propiophenone carrying a tert-butylamino group at position 2 and a chloro substituent at position 3 on the phenyl ring.

Bupropion: A propiophenone-derived antidepressant and antismoking agent that inhibits the uptake of DOPAMINE.
aromatic ketone;
monochlorobenzenes;
secondary amino compound
antidepressant;
environmental contaminant;
xenobiotic
guaiacolguaiacol : A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position.

Guaiacol: An agent thought to have disinfectant properties and used as an expectorant. (From Martindale, The Extra Pharmacopoeia, 30th ed, p747)

methylcatechol : Any member of the class of catechols carrying one or more methyl substituents.
guaiacolsdisinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite
alanylalaninealanylalanine: RN given refers to (DL)-isomerdipeptide
lactic acid2-hydroxypropanoic acid : A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group.

Lactic Acid: A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed)
2-hydroxy monocarboxylic acidalgal metabolite;
Daphnia magna metabolite
glycinealpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid
EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical
3-(1-methylpyrrolidin-2-yl)pyridine3-(1-methylpyrrolidin-2-yl)pyridine : An N-alkylpyrrolidine that consists of N-methylpyrrolidine bearing a pyridin-3-yl substituent at position 2.N-alkylpyrrolidine;
pyridine alkaloid;
pyrrolidine alkaloid
phenethylamine2-phenylethylamine : A phenylethylamine having the phenyl substituent at the 2-position.

phenethylamine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7016
alkaloid;
aralkylamine;
phenylethylamine
Escherichia coli metabolite;
human metabolite;
mouse metabolite
pyridoxal phosphatepyridoxal 5'-phosphate : The monophosphate ester obtained by condensation of phosphoric acid with the primary hydroxy group of pyridoxal.

Pyridoxal Phosphate: This is the active form of VITAMIN B 6 serving as a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, aminolevulinic acid. During transamination of amino acids, pyridoxal phosphate is transiently converted into pyridoxamine phosphate (PYRIDOXAMINE).
methylpyridines;
monohydroxypyridine;
pyridinecarbaldehyde;
vitamin B6 phosphate
coenzyme;
cofactor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
sarcosinecocobetaine: N-alkyl-betaine; cause of shampoo dermatitisN-alkylglycine;
N-alkylglycine zwitterion;
N-methyl-amino acid;
N-methylglycines
Escherichia coli metabolite;
glycine receptor agonist;
glycine transporter 1 inhibitor;
human metabolite;
mouse metabolite
sperminepolyazaalkane;
tetramine
antioxidant;
fundamental metabolite;
immunosuppressive agent
taurineamino sulfonic acid;
zwitterion
antioxidant;
Escherichia coli metabolite;
glycine receptor agonist;
human metabolite;
mouse metabolite;
nutrient;
radical scavenger;
Saccharomyces cerevisiae metabolite
tryptamineaminoalkylindole;
aralkylamino compound;
indole alkaloid;
tryptamines
human metabolite;
mouse metabolite;
plant metabolite
xanthine7H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-7 is protonated.

9H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated.
xanthineSaccharomyces cerevisiae metabolite
epibatidinealkaloid
sk&f 81297benzazepine
7-hydroxy-2-n,n-dipropylaminotetralin7-hydroxy-2-N,N-dipropylaminotetralin: RN given refers to cpd without isomeric designationtetralins
8-hydroxy-2-(di-n-propylamino)tetralin8-Hydroxy-2-(di-n-propylamino)tetralin: A serotonin 1A-receptor agonist that is used experimentally to test the effects of serotonin.

8-OH-DPAT : A tetralin substituted at positions 1 and 7 by hydroxy and dipropylamino groups respectively
phenols;
tertiary amino compound;
tetralins
serotonergic antagonist
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acidalpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid: An IBOTENIC ACID homolog and glutamate agonist. The compound is the defining agonist for the AMPA subtype of glutamate receptors (RECEPTORS, AMPA). It has been used as a radionuclide imaging agent but is more commonly used as an experimental tool in cell biological studies.non-proteinogenic alpha-amino acid
bremazocine
sk&f 82958benzazepine
4-iodo-2,5-dimethoxyphenylisopropylamine2-(4-iodo-2,5-dimethoxyphenyl)-1-methylethylamine : An organoiodine compound that is amphetamine bearing two methoxy substituents at positions 2 and 5 as well as an iodo substituent at position 4.

4-iodo-2,5-dimethoxyphenylisopropylamine: RN given refers to unlabeled parent cpd without isomeric designation; a serotonin agonist
amphetamines;
dimethoxybenzene;
organoiodine compound
octoclothepineoctoclothepine: major tranquilizer with action similar to those of the phenothiazines; used in schizophrenic & manic psychoses; minor decriptor (77-86); on-line & INDEX MEDICUS search DIBENZOTHIEPINS (77-86); RN given refers to parent cpd without isomeric designationdibenzothiepine
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin2-(N-phenethyl-N-propyl)amino-5-hydroxytetralin: potent, specific D2 dopamine receptor agonist; RN given refers to parent cpdtetralins
sk&f 77434N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol : A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1, an allyl substituent at position 3 and two hydroxy substituents at positions 7 and 8. Selective dopamine D1-like receptor partial agonist (IC50 values are 19.7 and 2425 nM for binding to D1-like and D2-like receptors respectively). Centrally active following systemic administration in vivo.

SK&F 77434: a dopamine D1 receptor partial agonist
benzazepine;
catechols;
tertiary amino compound
dopamine agonist
sk&f-383931-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol : A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1 and two hydroxy substituents at positions 7 and 8.

2,3,4,5-Tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine: A selective D1 dopamine receptor agonist used primarily as a research tool.

SKF 38393 : A racemate comprising equimolar amounts of (R)- and (S)-SKF 38393
benzazepine;
catechols;
secondary amino compound
dimethylphenylpiperazinium iodidepiperazines
1,10-phenanthroline1,10-phenanthroline: RN given refers to parent cpd; inhibits Zn-dependent metalloproteinasesphenanthrolineEC 2.7.1.1 (hexokinase) inhibitor;
EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor
1,3-diethyl-8-phenylxanthine1,3-diethyl-8-phenylxanthine: structure given in first source
1,3-dipropyl-8-cyclopentylxanthineDPCPX : An oxopurine that is 7H-xanthine substituted at positions 1 and 3 by propyl groups and at position 8 by a cyclohexyl group.oxopurineadenosine A1 receptor antagonist;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
1,3-dipropyl-8-(4-sulfophenyl)xanthine1,3-dipropyl-8-(4-sulfophenyl)xanthine: adenosine receptor antagonist
1-(1-naphthyl)piperazine1-(1-naphthyl)piperazine: serotonin agonist; structure given in first sourceN-arylpiperazine
1-(2-methoxyphenyl)piperazine1-(2-methoxyphenyl)piperazine: RN given refers to parent cpdpiperazines
1-(3-chlorophenyl)biguanide1-(3-chlorophenyl)biguanide: RN given refers to parent cp; a 5-HT3 receptor agonistbiguanides;
monochlorobenzenes
1-(3-chlorophenyl)piperazine1-(3-chlorophenyl)piperazine : A N-arylpiperazine that is piperazine carrying a 3-chlorophenyl substituent at position 1. It is a metabolite of the antidepressant drug trazodone.

1-(3-chlorophenyl)piperazine: supposed metabolite of TRAZODONE; RN given refers to parent cpd; structure
monochlorobenzenes;
N-arylpiperazine
drug metabolite;
environmental contaminant;
serotonergic agonist;
xenobiotic
2,4-dinitrophenol2,4-dinitrophenol : A dinitrophenol having the nitro groups at the 2- and 4-positions.

2,4-Dinitrophenol: A toxic dye, chemically related to trinitrophenol (picric acid), used in biochemical studies of oxidative processes where it uncouples oxidative phosphorylation. It is also used as a metabolic stimulant. (Stedman, 26th ed)

dinitrophenol : Members of the class of nitrophenol carrying two nitro substituents.
dinitrophenolallergen;
antiseptic drug;
bacterial xenobiotic metabolite;
geroprotector;
oxidative phosphorylation inhibitor
2-methyl-5-ht2-methyl-5-HT: M-receptor agonisttryptaminesserotonergic agonist
monomethylpropion2-methylamino-1-phenylpropan-1-one : An aromatic ketone that is propiophenone in which the hydrogen alpha- to the keto group has been replaced by a methylamino group.

methcathinone : A racemate comprising equal amounts of (R)- and (S)-methcathinone.

monomethylpropion: metabolite of dimethylpropion; structure given in first source
aromatic ketone;
secondary amino compound
2-aminoethoxydiphenyl borate2-aminoethoxydiphenyl borate: is a novel membrane-penetrable modulator and transient receptor potential channel blocker; structure in first source; do not confuse with 2-APB cpd

2-aminoethoxydiphenylborane : An organoboron compound that is diphenylborane in which the borane hydrogen is replaced by a 2-aminoethoxy group.
organoboron compound;
primary amino compound
calcium channel blocker;
IP3 receptor antagonist;
potassium channel opener
3,4-dichloroisocoumarin3,4-dichloroisocoumarin : A member of the class of isocoumarins that is isocoumarin substituted by chloro groups at positions 3 and 4. It is a serine protease inhibitor.isocoumarins;
organochlorine compound
geroprotector;
serine protease inhibitor
3,4-methylenedioxyamphetamine3,4-Methylenedioxyamphetamine: An amphetamine derivative that inhibits uptake of catecholamine neurotransmitters. It is a hallucinogen. It is less toxic than its methylated derivative but in sufficient doses may still destroy serotonergic neurons and has been used for that purpose experimentally.benzodioxoles
n-methyl-3,4-methylenedioxyamphetamine3,4-methylenedioxymethamphetamine : A member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a 2-(methylamino)propyl group at position 5.

N-Methyl-3,4-methylenedioxyamphetamine: An N-substituted amphetamine analog. It is a widely abused drug classified as a hallucinogen and causes marked, long-lasting changes in brain serotonergic systems. It is commonly referred to as MDMA or ecstasy.
amphetamines;
benzodioxoles
neurotoxin
enprofyllineenprofylline : Xanthine bearing a propyl substituent at position 3. A bronchodilator, it is used for the symptomatic treatment of asthma and chronic obstructive pulmonary disease, and in the management of cerebrovascular insufficiency, sickle cell disease, and diabetic neuropathy.oxopurineanti-arrhythmia drug;
anti-asthmatic drug;
bronchodilator agent;
non-steroidal anti-inflammatory drug
3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octanediarylmethane
4-(2-aminoethyl)benzenesulfonylfluoride
4-aminopyridineaminopyridine;
aromatic amine
avicide;
orphan drug;
potassium channel blocker
4-nonylphenol4-nonylphenol : A member of the class of phenols that is phenol which is para-substituted with a nonyl group.

4-nonylphenol: structure in first source; see also record for nonylphenol
phenolsenvironmental contaminant
4-phenyl-3-furoxancarbonitrile4-phenyl-3-furoxancarbonitrile : A 1,2,5-oxadiazole substituted by an oxido, cyano and phenyl groups at positions 2, 3 and 4, respectively. It is a vasodilator and inhibitor of platelet aggregation.

4-phenyl-3-furoxancarbonitrile: structure given in first source
1,2,5-oxadiazole;
benzenes;
N-oxide;
nitrile
geroprotector;
nitric oxide donor;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent
phenytoinimidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
5-(n,n-hexamethylene)amiloride5-(N,N-hexamethylene)amiloride : A member of the class of pyrazines that is amiloride in which the two amino hydrogens at position N-5 are replaced by a hexamethylene moiety, resulting in the formation of an azepane ring.

5-(N,N-hexamethylene)amiloride: inhibitor of Na+-H+ exchange; has anti-HIV-1 activity
aromatic amine;
azepanes;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines
antineoplastic agent;
apoptosis inducer;
odorant receptor antagonist;
sodium channel blocker
ethylisopropylamilorideethylisopropylamiloride : A member of the class of pyrazines that is amiloride in which the amino substitutent of the pyrazine ring that is adjacent to the chloro substituent has been substituted by an ethyl group and by an isopropyl group.

ethylisopropylamiloride: structure in first source
aromatic amine;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines;
tertiary amino compound
anti-arrhythmia drug;
neuroprotective agent;
sodium channel blocker
5-(nonyloxy)tryptamine5-(nonyloxy)tryptamine: a 5-HT1D beta serotonin receptor agonist; structure given in first source

5-nonyloxytryptamine : A tryptamine derivative that consists of serotonin bearing an additional O-nonyl substituent. 5-HT1B selective agonist, several times more potent than sumatriptan and inactive as a 5-HT1A agonist (Ki at 5-HT1B = 1 nM, selectivity over 5-HT1A > 300-fold).
aromatic ether;
primary amino compound;
tryptamines
serotonergic agonist
5-carboxamidotryptamine5-carboxamidotryptamine: agonist of 5-HT receptor; structure given in first sourcetryptamines
methylbufotenin5-methoxy-N,N-dimethyltryptamine : A tryptamine alkaloid that is N,N-dimethyltryptamine substituted by a methoxy group at position 5.aromatic ether;
tertiary amino compound;
tryptamine alkaloid
hallucinogen;
plant metabolite
5-methoxytryptamine5-methoxytryptamine : A member of the class of tryptamines that is the methyl ether derivative of serotonin.

5-Methoxytryptamine: Serotonin derivative proposed as potentiator for hypnotics and sedatives.
aromatic ether;
primary amino compound;
tryptamines
5-hydroxytryptamine 2A receptor agonist;
5-hydroxytryptamine 2B receptor agonist;
5-hydroxytryptamine 2C receptor agonist;
antioxidant;
cardioprotective agent;
human metabolite;
mouse metabolite;
neuroprotective agent;
radiation protective agent;
serotonergic agonist
6,7-dichloroquinoxaline-2,3-dionequinoxaline derivative
7,8-dihydroxyflavone7,8-dihydroxyflavone : A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 7 and 8. A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 7 and 8. A naturally occurring flavonoid produced by several plants, including the weed Tridax procumbens (coalbuttons or tridax daisy) and the tree Godmania aesculifolia, In animal models, it has shown efficacy against several diseases of the nervous system, including Alzheimer's, Parkinson's, and Huntington's.dihydroxyflavoneantidepressant;
antineoplastic agent;
antioxidant;
plant metabolite;
tropomyosin-related kinase B receptor agonist
8-(4-sulfophenyl)theophylline8-(4-sulfophenyl)theophylline: adenosine antagonist
8-cyclopentyl-1,3-dimethylxanthine8-cyclopentyl-1,3-dimethylxanthine: prolongs epileptic seizures in ratsoxopurine
8-phenyltheophylline8-phenyltheophylline: purinergic P1 receptor antagonist
tacrinetacrine : A member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease.

Tacrine: A cholinesterase inhibitor that crosses the blood-brain barrier. Tacrine has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimer's disease and other central nervous system disorders.
acridines;
aromatic amine
EC 3.1.1.7 (acetylcholinesterase) inhibitor
N-(2-aminoethyl)-5-chloro-1-naphthalenesulfonamidenaphthalenes;
sulfonic acid derivative
methacholinemethacholine : A quaternary ammonium ion in which the nitrogen is substituted with three methyl groups and a 2-acetoxypropyl group. Parasympathomimetic bronchoconstrictor drug used in clinical diagnosis.acetate ester;
quaternary ammonium ion
bronchoconstrictor agent;
cholinergic agonist;
epitope;
muscarinic agonist;
vasodilator agent
ag-12966,7-dimethoxy-3-phenylquinoxaline: ATP-competitive inhibitor of receptor kinasequinoxaline derivative
tyrphostin 25benzenetriol
albendazolearyl sulfide;
benzimidazoles;
benzimidazolylcarbamate fungicide;
carbamate ester
anthelminthic drug;
microtubule-destabilising agent;
tubulin modulator
alfuzosinalfuzosin: structure given in first sourcemonocarboxylic acid amide;
quinazolines;
tetrahydrofuranol
alpha-adrenergic antagonist;
antihypertensive agent;
antineoplastic agent
alosetronalosetron : A pyrido[4,3-b]indole compound having a 5-methyl-1H-imidazol-4-ylmethyl group at the 2-position.imidazoles;
pyridoindole
antiemetic;
gastrointestinal drug;
serotonergic antagonist
alpha-methylserotoninalpha-methylserotonin: potent agonist at M & D receptors of serotonin; RN given refers to parent cpdtryptaminesserotonergic agonist
alprazolamalprazolam : A member of the class of triazolobenzodiazepines that is 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine carrying methyl, phenyl and chloro substituents at positions 1, 6 and 8 respectively. Alprazolam is only found in individuals that have taken this drug.

Alprazolam: A triazolobenzodiazepine compound with antianxiety and sedative-hypnotic actions, that is efficacious in the treatment of PANIC DISORDERS, with or without AGORAPHOBIA, and in generalized ANXIETY DISORDERS. (From AMA Drug Evaluations Annual, 1994, p238)
organochlorine compound;
triazolobenzodiazepine
anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic
amantadineamant: an antiviral compound consisting of an adamantane derivative chemically linked to a water-solube polyanioic matrix; structure in first sourceadamantanes;
primary aliphatic amine
analgesic;
antiparkinson drug;
antiviral drug;
dopaminergic agent;
NMDA receptor antagonist;
non-narcotic analgesic
ambroxolAmbroxol: A metabolite of BROMHEXINE that stimulates mucociliary action and clears the air passages in the respiratory tract. It is usually administered as the hydrochloride.aromatic amine
theophyllinedimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent
amiodaroneamiodarone : A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias.

Amiodarone: An antianginal and class III antiarrhythmic drug. It increases the duration of ventricular and atrial muscle action by inhibiting POTASSIUM CHANNELS and VOLTAGE-GATED SODIUM CHANNELS. There is a resulting decrease in heart rate and in vascular resistance.
1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound
cardiovascular drug
dan 2163aromatic amide;
aromatic amine;
benzamides;
pyrrolidines;
sulfone
environmental contaminant;
second generation antipsychotic;
xenobiotic
amitriptylineamitriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5.

Amitriptyline: Tricyclic antidepressant with anticholinergic and sedative properties. It appears to prevent the re-uptake of norepinephrine and serotonin at nerve terminals, thus potentiating the action of these neurotransmitters. Amitriptyline also appears to antagonize cholinergic and alpha-1 adrenergic responses to bioactive amines.
carbotricyclic compound;
tertiary amine
adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic
amlodipineamlodipine : A fully substituted dialkyl 1,4-dihydropyridine-3,5-dicarboxylate derivative, which is used for the treatment of hypertension, chronic stable angina and confirmed or suspected vasospastic angina.

Amlodipine: A long-acting dihydropyridine calcium channel blocker. It is effective in the treatment of ANGINA PECTORIS and HYPERTENSION.
dihydropyridine;
ethyl ester;
methyl ester;
monochlorobenzenes;
primary amino compound
antihypertensive agent;
calcium channel blocker;
vasodilator agent
amoxapineamoxapine : A dibenzooxazepine compound having a chloro substituent at the 2-position and a piperazin-1-yl group at the 11-position.

Amoxapine: The N-demethylated derivative of the antipsychotic agent LOXAPINE that works by blocking the reuptake of norepinephrine, serotonin, or both; it also blocks dopamine receptors. Amoxapine is used for the treatment of depression.
dibenzooxazepineadrenergic uptake inhibitor;
antidepressant;
dopaminergic antagonist;
geroprotector;
serotonin uptake inhibitor
amsacrineamsacrine : A sulfonamide that is N-phenylmethanesulfonamide substituted by a methoxy group at position 3 and an acridin-9-ylamino group at position 4. It exhibits antineoplastic activity.

Amsacrine: An aminoacridine derivative that intercalates into DNA and is used as an antineoplastic agent.
acridines;
aromatic ether;
sulfonamide
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
anabasinepiperidine alkaloid;
pyridine alkaloid
nicotinic acetylcholine receptor agonist;
plant metabolite;
teratogenic agent
aniracetamN-acylpyrrolidine;
pyrrolidin-2-ones
anisindioneanisindione : A cyclic beta-diketone consisting of indane-1,3-dione having a 4-methoxyphenyl substituent at the 4-position.

anisindione: structure
aromatic ketone;
beta-diketone
anticoagulant;
vitamin K antagonist
arcaine1,4-diguanidinobutane : A guanidine derivative consisting of butane having guanidino groups at the 1- and 4-positions.

arcaine: RN given refers to parent cpd; structure
guanidines
1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid prop-2-ynyl esterdihydropyridine
arecolinearecoline : A tetrahydropyridine that is 1,2,5,6-tetrahydropyridine with a methyl group at position 1, and a methoxycarbonyl group at position 3. An alkaloid found in the areca nut, it acts as an agonist of muscarinic acetylcholine.

Arecoline: An alkaloid obtained from the betel nut (Areca catechu), fruit of a palm tree. It is an agonist at both muscarinic and nicotinic acetylcholine receptors. It is used in the form of various salts as a ganglionic stimulant, a parasympathomimetic, and a vermifuge, especially in veterinary practice. It has been used as a euphoriant in the Pacific Islands.
enoate ester;
methyl ester;
pyridine alkaloid;
tetrahydropyridine
metabolite;
muscarinic agonist
aspirinacetylsalicylate : A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group.

acetylsalicylic acid : A member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity.

Aspirin: The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5)
benzoic acids;
phenyl acetates;
salicylates
anticoagulant;
antipyretic;
cyclooxygenase 1 inhibitor;
cyclooxygenase 2 inhibitor;
drug allergen;
EC 1.1.1.188 (prostaglandin-F synthase) inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
plant activator;
platelet aggregation inhibitor;
prostaglandin antagonist;
teratogenic agent
astemizoleastemizole : A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position.

Astemizole: Antihistamine drug now withdrawn from the market in many countries because of rare but potentially fatal side effects.
benzimidazoles;
piperidines
anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist
alpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionatealpha-amino-3-hydroxy-5-tert-butyl-4-isoxazolepropionate: a glutamate agonistalpha-amino acid
baclofenamino acid zwitterion;
gamma-amino acid;
monocarboxylic acid;
monochlorobenzenes;
primary amino compound
central nervous system depressant;
GABA agonist;
muscle relaxant
benzyl isothiocyanatebenzyl isothiocyanate: inhibits carcinogen-induced neoplasia; structure in Negwer, 5th ed, #715; also promotes urinary bladder carcinomabenzenes;
isothiocyanate
antibacterial drug
5-methoxypsoralen5-methoxypsoralen : A 5-methoxyfurocoumarin that is psoralen substituted by a methoxy group at position 5.

5-Methoxypsoralen: A linear furanocoumarin that has phototoxic and anti-inflammatory properties, with effects similar to METHOXSALEN. It is used in PUVA THERAPY for the treatment of PSORIASIS.
5-methoxyfurocoumarin;
organic heterotricyclic compound;
psoralens
hepatoprotective agent;
plant metabolite
propiolactonePropiolactone: Disinfectant used in vapor form to sterilize vaccines, grafts, etc. The vapor is very irritating and the liquid form is carcinogenic.propan-3-olide
bethanecholbethanechol : The carbamic acid ester of 2-methylcholine. A slowly hydrolysed muscarinic agonist with no nicotinic effects, it is used as its chloride salt to increase smooth muscle tone, as in the gastrointestinal tract following abdominal surgery, treatment of gastro-oesophageal reflux disease, and as an alternative to catheterisation in the treatment of non-obstructive urinary retention.

Bethanechol: A slowly hydrolyzing muscarinic agonist with no nicotinic effects. Bethanechol is generally used to increase smooth muscle tone, as in the GI tract following abdominal surgery or in urinary retention in the absence of obstruction. It may cause hypotension, HEART RATE changes, and BRONCHIAL SPASM.
carbamate ester;
quaternary ammonium ion
muscarinic agonist
biperidenbiperiden : A member of the class of piperidines that is N-propylpiperidine in which the methyl hydrogens have been replaced by hydroxy, phenyl, and 5-norbornen-2-yl groups. A muscarinic antagonist affecting both the central and peripheral nervous systems, it is used in the treatment of all forms of Parkinson's disease.

Biperiden: A muscarinic antagonist that has effects in both the central and peripheral nervous systems. It has been used in the treatment of arteriosclerotic, idiopathic, and postencephalitic parkinsonism. It has also been used to alleviate extrapyramidal symptoms induced by phenothiazine derivatives and reserpine.
piperidines;
tertiary alcohol;
tertiary amino compound
antidote to sarin poisoning;
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist;
parasympatholytic
bisacodylBisacodyl: A diphenylmethane stimulant laxative used for the treatment of CONSTIPATION and for bowel evacuation. (From Martindale, The Extra Pharmacopoeia, 30th ed, p871)diarylmethane
bithionolbithionol : An aryl sulfide that is diphenyl sulfide in which each phenyl group is substituted at position 2 by hydroxy and at positions 3 and 5 by chlorine. A fungicide and anthelmintic, it was used in various topical drug products for the treatment of liver flukes, but withdrawn after being shown to be a potent photosensitizer with the potential to cause serious skin disorders.

Bithionol: Halogenated anti-infective agent that is used against trematode and cestode infestations.
aryl sulfide;
bridged diphenyl antifungal drug;
bridged diphenyl fungicide;
dichlorobenzene;
organochlorine pesticide;
polyphenol
antifungal agrochemical;
antiplatyhelmintic drug
bmy 7378piperazines
bromhexinebromhexine : A substituted aniline that is 2,4-dibromoaniline which is substituted at position 6 by a [cyclohexyl(methyl)amino]methyl group. It is used (as the monohydrochloride salt) as a mucolytic for the treatment of respiratory disorders associated with productive cough (i.e. a cough characterised by the production of sputum).

Bromhexine: A mucolytic agent used in the treatment of respiratory disorders associated with viscid or excessive mucus. (From Martindale, The Extra Pharmacopoeia, 30th ed, p744)
organobromine compound;
substituted aniline;
tertiary amino compound
mucolytic
broxyquinolinebroxyquinoline: structureorganohalogen compound;
quinolines
buspironebuspirone : An azaspiro compound that is 8-azaspiro[4.5]decane-7,9-dione substituted at the nitrogen atom by a 4-(piperazin-1-yl)butyl group which in turn is substituted by a pyrimidin-2-yl group at the N(4) position.

Buspirone: An anxiolytic agent and serotonin receptor agonist belonging to the azaspirodecanedione class of compounds. Its structure is unrelated to those of the BENZODIAZAPINES, but it has an efficacy comparable to DIAZEPAM.
azaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines
anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
butenafinebutenafine : Trimethylamine in which hydrogen atoms attached to different methyl groups are substituted by 1-naphthyl and 4-tert-butylphenyl groups. It is an inhibitor of squalene epoxidase, an enzyme responsible for the creation of sterols needed in fungal cell membranes, and is used as its hydrochloride salt for treatment of dermatological fungal infections.

butenafine: studied on experimental dermatophytosis
naphthalenes;
tertiary amine
antifungal drug;
EC 1.14.13.132 (squalene monooxygenase) inhibitor
caffeinepurine 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
verapamil2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile : A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.

verapamil : A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine.

Verapamil: A calcium channel blocker that is a class IV anti-arrhythmia agent.
aromatic ether;
nitrile;
polyether;
tertiary amino compound
candesartan cilexetilcandesartan cilexetil: a prodrug which is metabolized to an active form candesartan to exert its biological effectsbiphenyls
cannabinolCannabinol: A physiologically inactive constituent of Cannabis sativa L.dibenzopyran
cantharidinfurofuran
carbamylcholine
carbetapentanecarbetapentane: RN given refers to parent cpdbenzenes
carvedilolcarbazoles;
secondary alcohol;
secondary amino compound
alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
celecoxiborganofluorine compound;
pyrazoles;
sulfonamide;
toluenes
cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
cgs 120664-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline : A pyrroloquinoxaline that is pyrrolo[1,2-a]quinoxaline bearing additional 4-methylpiperazin-1-yl and trifluoromethyl substituents at positions 4 and 7 respectively. A 5-hydroxytryptamine receptor 1B (5-HT1B) full agonist, 10-fold selective over 5-HT1A and 1000-fold selective over 5-HT2C receptors. Centrally active following systemic administration.N-arylpiperazine;
organofluorine compound;
pyrroloquinoxaline
serotonergic agonist
cgs 159439-chloro-2-(2-furyl)-(1,2,4)triazolo(1,5-c)quinazolin-5-imine: non-xanthine triazoloquinazoline adenosine antagonist

CGS 15943 : A member of the class of triazoloquinazolines that is [1,2,4]triazolo[1,5-c]quinazoline substited at positions 2, 5 and 9 by furan-2-yl, amino and chloro groups respectively. A potent antagonist at adenosine A1 and adenosine A2A receptors.
aromatic amine;
biaryl;
furans;
organochlorine compound;
primary amino compound;
quinazolines;
triazoloquinazoline
adenosine A1 receptor antagonist;
adenosine A2A receptor antagonist;
antineoplastic agent;
central nervous system stimulant
chelerythrinechelerythrine : A benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae.benzophenanthridine alkaloid;
organic cation
antibacterial agent;
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor
chlordiazepoxidechlordiazepoxide : A benzodiazepine that is 3H-1,4-benzodiazepine 4-oxide substituted by a chloro group at position 7, a phenyl group at position 5 and a methylamino group at position 2.

Chlordiazepoxide: An anxiolytic benzodiazepine derivative with anticonvulsant, sedative, and amnesic properties. It has also been used in the symptomatic treatment of alcohol withdrawal.
benzodiazepine
chloroquinechloroquine : An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis.

Chloroquine: The prototypical antimalarial agent with a mechanism that is not well understood. It has also been used to treat rheumatoid arthritis, systemic lupus erythematosus, and in the systemic therapy of amebic liver abscesses.
aminoquinoline;
organochlorine compound;
secondary amino compound;
tertiary amino compound
anticoronaviral agent;
antimalarial;
antirheumatic drug;
autophagy inhibitor;
dermatologic drug
chloroxinechloroxine : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 have been substituted by chlorine. A synthetic antibacterial prepared by chlorination of quinolin-8-ol, it is used for the treatment of dandruff and seborrhoeic dermatitis of the scalp.monohydroxyquinoline;
organochlorine compound
antibacterial agent;
antifungal drug;
antiseborrheic
chlorpromazinechlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety.

Chlorpromazine: The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking DOPAMINE RECEPTORS. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup.
organochlorine compound;
phenothiazines;
tertiary amine
anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
ciglitazoneciglitazone : An aromatic ether that consists of 1,3-thiazolidine-2,4-dione with position 5 substituted by a 4-[(1-methylcyclohexyl)methoxy]benzyl group. A selective PPARgamma agonist.

ciglitazone: structure given in second source; PPAR agonist used for type II diabetes
aromatic ether;
thiazolidinone
antineoplastic agent;
insulin-sensitizing drug
eucalyptol
cisapridecisapride : The amide resulting from formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with cis-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-amine. It has been used (as its monohydrate or as its tartrate) for the treatment of gastro-oesophageal reflux disease and for non-ulcer dyspepsia, but its propensity to cause cardiac arrhythmias resulted in its complete withdrawal from many countries, including the U.K., and restrictions on its use elsewhere.

Cisapride: A substituted benzamide used for its prokinetic properties. It is used in the management of gastroesophageal reflux disease, functional dyspepsia, and other disorders associated with impaired gastrointestinal motility. (Martindale The Extra Pharmacopoeia, 31st ed)
benzamides
citalopram1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile : A nitrile that is 1,3-dihydro-2-benzofuran-5-carbonitrile in which one of the hydrogens at position 1 is replaced by a p-fluorophenyl group, while the other is replaced by a 3-(dimethylamino)propyl group.

citalopram : A racemate comprising equimolar amounts of (R)-citalopram and its enantiomer, escitalopram. It is used as an antidepressant, although only escitalopram is active.

Citalopram: A furancarbonitrile that is one of the serotonin uptake inhibitors used as an antidepressant. The drug is also effective in reducing ethanol uptake in alcoholics and is used in depressed patients who also suffer from TARDIVE DYSKINESIA in preference to tricyclic antidepressants, which aggravate dyskinesia.
2-benzofurans;
cyclic ether;
nitrile;
organofluorine compound;
tertiary amino compound
cl 387785CL 387785: structure in first source

N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide : A member of the class of quinazolines that is 4,6-diaminoquinazoine in which the one of the hydrogens attached to the amino group at position 4 has been replaced by a m-bromophenyl group while one of the hydrogens attached to the amino group at position 6 has been replaced by a but-2-ynoyl group.
bromobenzenes;
quinazolines;
secondary carboxamide;
ynamide
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist
cleboprideclebopride: antidopaminergic; RN given refers to parent cpd; structurepiperidines
clioquinol5-chloro-7-iodoquinolin-8-ol : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 are replaced by chlorine and iodine, respectively. It has antibacterial and atifungal properties, and is used in creams for the treatment of skin infections. It has also been investigated as a chelator of copper and zinc ions for the possible treatment of Alzheimer's disease.

Clioquinol: A potentially neurotoxic 8-hydroxyquinoline derivative long used as a topical anti-infective, intestinal antiamebic, and vaginal trichomonacide. The oral preparation has been shown to cause subacute myelo-optic neuropathy and has been banned worldwide.
monohydroxyquinoline;
organochlorine compound;
organoiodine compound
antibacterial agent;
antifungal agent;
antimicrobial agent;
antineoplastic agent;
antiprotozoal drug;
chelator;
copper chelator
clofibric acidclofibric acid : A monocarboxylic acid that is isobutyric acid substituted at position 2 by a p-chlorophenoxy group. It is a metabolite of the drug clofibrate.

Clofibric Acid: An antilipemic agent that is the biologically active metabolite of CLOFIBRATE.
aromatic ether;
monocarboxylic acid;
monochlorobenzenes
anticholesteremic drug;
antilipemic drug;
antineoplastic agent;
herbicide;
marine xenobiotic metabolite;
PPARalpha agonist
clofoctoldiarylmethane
clomipramineclomipramine : A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine which is substituted by chlorine at position 3 and in which the hydrogen attached to the nitrogen is replaced by a 3-(dimethylamino)propyl group. One of the more sedating tricyclic antidepressants, it is used as the hydrochloride salt for the treatment of depression as well as obsessive-compulsive disorder and phobias.

Clomipramine: A tricyclic antidepressant similar to IMIPRAMINE that selectively inhibits the uptake of serotonin in the brain. It is readily absorbed from the gastrointestinal tract and demethylated in the liver to form its primary active metabolite, desmethylclomipramine.
dibenzoazepineanticoronaviral agent;
antidepressant;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
serotonergic antagonist;
serotonergic drug;
serotonin uptake inhibitor
clonazepamclonazepam : 1,3-Dihydro-2H-1,4-benzodiazepin-2-one in which the hydrogens at positions 5 and 7 are substituted by 2-chlorophenyl and nitro groups, respectively. It is used in the treatment of all types of epilepsy and seizures, as well as myoclonus and associated abnormal movements, and panic disorders. However, its use can be limited by the development of tolerance and by sedation.

Clonazepam: An anticonvulsant used for several types of seizures, including myotonic or atonic seizures, photosensitive epilepsy, and absence seizures, although tolerance may develop. It is seldom effective in generalized tonic-clonic or partial seizures. The mechanism of action appears to involve the enhancement of GAMMA-AMINOBUTYRIC ACID receptor responses.
1,4-benzodiazepinone;
monochlorobenzenes
anticonvulsant;
anxiolytic drug;
GABA modulator
clotrimazoleconazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes
antiinfective agent;
environmental contaminant;
xenobiotic
cyclothiazidecyclothiazide : 3,4-Dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted at positions 3, 5 and 6 by a 2-norbornen-5-yl group, chlorine, and a sulfonamide group, respectively. A thiazide diuretic, it has been used in the management of hypertension and oedema.

cyclothiazide: inhibits the desensitization of AMPA-type receptors; structure
benzothiadiazineantihypertensive agent;
diuretic
cyproheptadinecyproheptadine : The product resulting from the formal oxidative coupling of position 5 of 5H-dibenzo[a,d]cycloheptene with position 4 of 1-methylpiperidine resulting in the formation of a double bond between the two fragments. It is a sedating antihistamine with antimuscarinic and calcium-channel blocking actions. It is used (particularly as the hydrochloride sesquihydrate) for the relief of allergic conditions including rhinitis, conjunctivitis due to inhalant allergens and foods, urticaria and angioedema, and in pruritic skin disorders. Unlike other antihistamines, it is also a seratonin receptor antagonist, making it useful in conditions such as vascular headache and anorexia.

Cyproheptadine: A serotonin antagonist and a histamine H1 blocker used as antipruritic, appetite stimulant, antiallergic, and for the post-gastrectomy dumping syndrome, etc.
piperidines;
tertiary amine
anti-allergic agent;
antipruritic drug;
gastrointestinal drug;
H1-receptor antagonist;
serotonergic antagonist
decamethoniumdecamethonium : A quaternary ammonium ion that is a depolarising muscle relaxant whose structure comprises a decane-1,10-diamine core in which each amino group carries three methyl substituents.

decamethonium: RN given refers to parent cpd
quaternary ammonium ionmuscle relaxant;
nicotinic acetylcholine receptor agonist
denbufyllinedenbufylline: structure given in first sourceoxopurine
dequaliniumdequalinium : A quinolinium ion comprising decane in which one methyl hydrogen at each end of the molecule has been replaced by a 4-amino-2-methylquinolin-1-yl group.

Dequalinium: A topical bacteriostat that is available as various salts. It is used in wound dressings and mouth infections and may also have antifungal action, but may cause skin ulceration.
quinolinium ionantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor
desipraminedesipramine : A dibenzoazepine consisting of 10,11-dihydro-5H-dibenzo[b,f]azepine substituted on nitrogen with a 3-(methylamino)propyl group.

Desipramine: A tricyclic dibenzazepine compound that potentiates neurotransmission. Desipramine selectively blocks reuptake of norepinephrine from the neural synapse, and also appears to impair serotonin transport. This compound also possesses minor anticholinergic activity, through its affinity to muscarinic receptors.
dibenzoazepine;
secondary amino compound
adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
cholinergic antagonist;
drug allergen;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
serotonin uptake inhibitor
nordazepamnordazepam : A 1,4-benzodiazepinone having phenyl and chloro substituents at positions 5 and 7 respectively; it has anticonvulsant, anxiolytic, muscle relaxant and sedative properties but is used primarily in the treatment of anxiety.

Nordazepam: An intermediate in the metabolism of DIAZEPAM to OXAZEPAM. It may have actions similar to those of diazepam.
1,4-benzodiazepinone;
organochlorine compound
anticonvulsant;
anxiolytic drug;
GABA modulator;
human metabolite;
sedative
racemethorphan6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene : An organic heterotetracyclic compound that is 1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene which is substituted by a methoxy group at position 6 and a methyl group at position 11.aromatic ether;
morphinane alkaloid;
morphinane-like compound;
organic heterotetracyclic compound
r 59022R 59022: diacylglycerol kinase inhibitor; structure given in first source; platelet activator factor antagonistdiarylmethane
diazepamdiazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a methyl group at position 1 and a phenyl group at position 5.

Diazepam: A benzodiazepine with anticonvulsant, anxiolytic, sedative, muscle relaxant, and amnesic properties and a long duration of action. Its actions are mediated by enhancement of GAMMA-AMINOBUTYRIC ACID activity.
1,4-benzodiazepinone;
organochlorine compound
anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
diazinondiazinon : A member of the class of pyrimidines that is pyrimidine carrying an isopropyl group at position 2, a methyl group at position 6 and a (diethoxyphosphorothioyl)oxy group at position 4.

Diazinon: A cholinesterase inhibitor that is used as an organothiophosphorus insecticide.
organic thiophosphate;
pyrimidines
acaricide;
agrochemical;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
nematicide;
xenobiotic
dicyclominedicyclomine : The ester resulting from the formal condensation of 1-cyclohexylcyclohexanecarboxylic acid with 2-(diethylamino)ethanol. An anticholinergic, it is used as the hydrochloride to treat or prevent spasm in the muscles of the gastrointestinal tract, particularly that associated with irritable bowel syndrome.

Dicyclomine: A muscarinic antagonist used as an antispasmodic and in urinary incontinence. It has little effect on glandular secretion or the cardiovascular system. It does have some local anesthetic properties and is used in gastrointestinal, biliary, and urinary tract spasms.
carboxylic ester;
tertiary amine
antispasmodic drug;
muscarinic antagonist;
parasympatholytic
diphenidoldiphenidol : A tertiary alcohol that is butan-1-ol substituted by two phenyl groups at position 1 and a piperidin-1-yl group at position 4.

diphenidol: shows anti-arrhythmic activity; RN given refers to unlabeled parent cpd
benzenes;
piperidines;
tertiary alcohol
antiemetic
diphenhydramineantitussive : An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration.

diphenhydramine : An ether that is the benzhydryl ether of 2-(dimethylamino)ethanol. It is a H1-receptor antagonist used as a antipruritic and antitussive drug.

Diphenhydramine: A histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an ingredient in common cold preparations. It has some undesired antimuscarinic and sedative effects.
ether;
tertiary amino compound
anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative
diphenyleneiodoniumdibenziodolium : An organic cation that is fluorene in which the methylene group is replaced by a positively charged iodine.

diphenyleneiodonium: structure in first source; NADPH oxidase inhibitor
organic cation
disulfiramorganic disulfide;
organosulfur acaricide
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
EC 3.1.1.1 (carboxylesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
ferroptosis inducer;
fungicide;
NF-kappaB inhibitor
p-chloroamphetaminep-Chloroamphetamine: Chlorinated analog of AMPHETAMINE. Potent neurotoxin that causes release and eventually depletion of serotonin in the CNS. It is used as a research tool.
n(6),n(6)-dimethyladenineN(6),N(6)-dimethyladenine : A tertiary amine that is adenine substituted at N-6 by geminal methyl groups.tertiary amine
2,3-dimethoxy-1,4-naphthoquinone2,3-dimethoxynaphthalene-1,4-dione : A naphthoquinone that is 1,4-naphthoquinone bearing two methoxy substituents at positions 2 and 3. Redox-cycling agent that induces intracellular superoxide anion formation and, depending on the concentration, induces cell proliferation, apoptosis or necrosis. Used to study the role of ROS in cell toxicity, apoptosis, and necrosis.1,4-naphthoquinones
domperidonedomperidone : 1-[3-(Piperidin-1-yl)propyl]-1,3-dihydro-2H-benzimidazol-2-one in which the 4-position of the piperidine ring is substituted by a 5-chloro-1,3-dihydro-2H-benzimidazol-2-on-1-yl group. A dopamine antagonist, it is used as an antiemetic for the short-term treatment of nausea and vomiting, and to control gastrointestinal effects of dopaminergic drugs given in the management of parkinsonism. The free base is used in oral suspensions, while the maleate salt is used in tablet preparations.

Domperidone: A specific blocker of dopamine receptors. It speeds gastrointestinal peristalsis, causes prolactin release, and is used as antiemetic and tool in the study of dopaminergic mechanisms.
benzimidazoles;
heteroarylpiperidine
antiemetic;
dopaminergic antagonist
donepezil2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one : A member of the class of indanones that is 5,6-dimethoxyindan-1-one which is substituted at position 2 by an (N-benzylpiperidin-4-yl)methyl group.

donepezil : A racemate comprising equimolar amounts of (R)- and (S)-donepezil. A centrally acting reversible acetylcholinesterase inhibitor, its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine.

Donepezil: An indan and piperidine derivative that acts as a selective and reversible inhibitor of ACETYLCHOLINESTERASE. Donepezil is highly selective for the central nervous system and is used in the management of mild to moderate DEMENTIA in ALZHEIMER DISEASE.
aromatic ether;
indanones;
piperidines;
racemate
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent
adtnADTN: RN given refers to parent cpd without isomeric designation; structure
doxazosindoxazosin : A member of the class of quinazolines that is quinazoline substituted by an amino group at position 4, methoxy groups at positions 6 and 7 and a piperazin-1-yl group at position 2 which in turn is substituted by a 2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl group at position 4. An antihypertensive agent, it is used in the treatment of high blood pressure.

Doxazosin: A prazosin-related compound that is a selective alpha-1-adrenergic blocker.
aromatic amine;
benzodioxine;
monocarboxylic acid amide;
N-acylpiperazine;
N-arylpiperazine;
quinazolines
alpha-adrenergic antagonist;
antihyperplasia drug;
antihypertensive agent;
antineoplastic agent;
vasodilator agent
doxepindoxepin : A dibenzooxepine that is 6,11-dihydrodibenzo[b,e]oxepine substituted by a 3-(dimethylamino)propylidene group at position 11. It is used as an antidepressant drug.

Doxepin: A dibenzoxepin tricyclic compound. It displays a range of pharmacological actions including maintaining adrenergic innervation. Its mechanism of action is not fully understood, but it appears to block reuptake of monoaminergic neurotransmitters into presynaptic terminals. It also possesses anticholinergic activity and modulates antagonism of histamine H(1)- and H(2)-receptors.
dibenzooxepine;
tertiary amino compound
antidepressant
droperidoldroperidol : An organofluorine compound that is haloperidol in which the hydroxy group has been eliminated with the introduction of a double bond in the piperidine ring, and the 4-chlorophenyl group has been replaced by a benzimidazol-2-on-1-yl group. It is used in the management of chemotherapy-induced nausea and vomiting, and in conjunction with an opioid analgesic such as fentanyl to maintain the patient in a calm state of neuroleptanalgesia with indifference to surroundings but still able to cooperate with the surgeon.

Droperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It is used in conjunction with an opioid analgesic such as FENTANYL to maintain the patient in a calm state of neuroleptanalgesia with indifference to surroundings but still able to cooperate with the surgeon. It is also used as a premedicant, as an antiemetic, and for the control of agitation in acute psychoses. (From Martindale, The Extra Pharmacopoeia, 29th ed, p593)
aromatic ketone;
benzimidazoles;
organofluorine compound
anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
ebastineorganic molecular entity
econazole1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 4-chlorobenzyl group.

econazole : A racemate composed of equimolar amounts of (R)- and (S)-econazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections.

Econazole: An imidazole derivative that is commonly used as a topical antifungal agent.
dichlorobenzene;
ether;
imidazoles;
monochlorobenzenes
ellipticineellipticine : A organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11.indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene
antineoplastic agent;
plant metabolite
embelinembelin : A member of the class of dihydroxy-1,4-benzoquinones that is 2,5-dihydroxy-1,4-benzoquinone which is substituted by an undecyl group at position 3. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antimicrobial, antineoplastic and inhibitory activity towards hepatitis C protease.

embelin: from Embelia fruit (Myrsinaceae)
dihydroxy-1,4-benzoquinonesantimicrobial agent;
antineoplastic agent;
hepatitis C protease inhibitor;
plant metabolite
emodinemodin : A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs.

Emodin: Purgative anthraquinone found in several plants, especially RHAMNUS PURSHIANA. It was formerly used as a laxative, but is now used mainly as a tool in toxicity studies.
trihydroxyanthraquinoneantineoplastic agent;
laxative;
plant metabolite;
tyrosine kinase inhibitor
eperisone1-(4-ethylphenyl)-2-methyl-3-(piperidin-1-yl)propan-1-one : An aromatic ketone that is N-propylpiperidine in which a hydrogen at positon 2 of the propyl group is replaced by a p-ethylbenzoyl group.

eperisone : A racemate that is an equimolar mixture of (R)- and (S)-eperisone. It is used (as the hydrochloride salt) as a muscle relaxant for the symptomatic treatment of muscle spasm and spasticity.
aromatic ketone;
piperidines
s-ethyl n-(4-(trifluoromethyl)phenyl)isothioureaS-ethyl N-(4-(trifluoromethyl)phenyl)isothiourea: structure in first source
carbonyl cyanide p-trifluoromethoxyphenylhydrazonecarbonyl cyanide p-trifluoromethoxyphenylhydrazone : A hydrazone that is hydrazonomalononitrile in which one of the hydrazine hydrogens is substituted by a p-trifluoromethoxyphenyl group.

Carbonyl Cyanide p-Trifluoromethoxyphenylhydrazone: A proton ionophore that is commonly used as an uncoupling agent in biochemical studies.
aromatic ether;
hydrazone;
nitrile;
organofluorine compound
ATP synthase inhibitor;
geroprotector;
ionophore
felbamatefelbamate : The bis(carbamate ester) of 2-phenylpropane-1,3-diol. An anticonvulsant, it is used in the treatment of epilepsy.

Felbamate: A PEGylated phenylcarbamate derivative that acts as an antagonist of NMDA RECEPTORS. It is used as an anticonvulsant, primarily for the treatment of SEIZURES in severe refractory EPILEPSY.
carbamate esteranticonvulsant;
neuroprotective agent
fenofibratePharmavit: a polyvitamin product, comprising vitamins A, D2, B1, B2, B6, C, E, nicotinamide, & calcium pantothene; may be a promising agent for application to human populations exposed to carcinogenic and genetic hazards of ionizing radiation; RN from CHEMLINEaromatic ether;
chlorobenzophenone;
isopropyl ester;
monochlorobenzenes
antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
fenoldopamFenoldopam: A dopamine D1 receptor agonist that is used as an antihypertensive agent. It lowers blood pressure through arteriolar vasodilation.benzazepinealpha-adrenergic agonist;
antihypertensive agent;
dopamine agonist;
dopaminergic antagonist;
vasodilator agent
fentanylfentanyl : A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-phenyl-1-(2-phenylethyl)piperidin-4-amine with propanoic acid.

Fentanyl: A potent narcotic analgesic, abuse of which leads to habituation or addiction. It is primarily a mu-opioid agonist. Fentanyl is also used as an adjunct to general anesthetics, and as an anesthetic for induction and maintenance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1078)
anilide;
monocarboxylic acid amide;
piperidines
adjuvant;
anaesthesia adjuvant;
anaesthetic;
intravenous anaesthetic;
mu-opioid receptor agonist;
opioid analgesic
fipronil5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile : A member of the class of pyrazoles that is 1H-pyrazole that is substituted at positions 1, 3, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, cyano, (trifluoromethyl)sulfinyl, and amino groups, respectively.

fipronil : A racemate comprising equimolar amounts of (R)- and (S)-fipronil.

fipronil: has low mammalian toxicity; structure given in first source
(trifluoromethyl)benzenes;
dichlorobenzene;
nitrile;
primary amino compound;
pyrazoles;
sulfoxide
flecainideflecainide : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 2,5-bis(2,2,2-trifluoroethoxy)benzoic acid with the primary amino group of piperidin-2-ylmethylamine. An antiarrhythmic agent used (in the form of its acetate salt) to prevent and treat tachyarrhythmia (abnormal fast rhythm of the heart).

Flecainide: A potent anti-arrhythmia agent, effective in a wide range of ventricular and atrial ARRHYTHMIAS and TACHYCARDIAS.
aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines
anti-arrhythmia drug
fluphenazineN-alkylpiperazine;
organofluorine compound;
phenothiazines
anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
flumazenilflumazenil : An organic heterotricyclic compound that is 5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted at positions 3, 5, 6, and 8 by ethoxycarbonyl, methyl, oxo, and fluoro groups, respectively. It is used as an antidote to benzodiazepine overdose.

Flumazenil: A potent benzodiazepine receptor antagonist. Since it reverses the sedative and other actions of benzodiazepines, it has been suggested as an antidote to benzodiazepine overdoses.
ethyl ester;
imidazobenzodiazepine;
organofluorine compound
antidote to benzodiazepine poisoning;
GABA antagonist
flunitrazepamflunitrazepam : A 1,4-benzodiazepinone that is nitrazepam substituted by a methyl group at position 1 and by a fluoro group at position 2'. It is a potent hypnotic, sedative, and amnestic drug used to treat chronic insomnia.

Flunitrazepam: A benzodiazepine with pharmacologic actions similar to those of DIAZEPAM that can cause ANTEROGRADE AMNESIA. Some reports indicate that it is used as a date rape drug and suggest that it may precipitate violent behavior. The United States Government has banned the importation of this drug.
1,4-benzodiazepinone;
C-nitro compound;
monofluorobenzenes
anxiolytic drug;
GABAA receptor agonist;
sedative
fluoxetinefluoxetine : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder.

Fluoxetine: The first highly specific serotonin uptake inhibitor. It is used as an antidepressant and often has a more acceptable side-effects profile than traditional antidepressants.

N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine : An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group.
(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
fluspirileneFluspirilene: A long-acting injectable antipsychotic agent used for chronic schizophrenia.diarylmethane
formoterol fumarateN-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide : A phenylethanoloamine having 4-hydroxy and 3-formamido substituents on the phenyl ring and an N-(4-methoxyphenyl)propan-2-yl substituent.formamides;
phenols;
phenylethanolamines;
secondary alcohol;
secondary amino compound
gaboxadolgaboxadol: GABA agonist; inhibitor of GABA uptake systems; structureoxazole
vanoxerinevanoxerine : An N-alkylpiperazine that consists of piperazine bearing 2-bis(4-fluorophenyl)methoxy]ethyl and 3-phenylpropyl groups at positions 1 and 4 respectively. Potent, competitive inhibitor of dopamine uptake (Ki = 1 nM for inhibition of striatal dopamine uptake). Has > 100-fold lower affinity for the noradrenalin and 5-HT uptake carriers. Also a potent sigma ligand (IC50 = 48 nM). Centrally active following systemic administration.

vanoxerine: structure given in first source
ether;
N-alkylpiperazine;
organofluorine compound;
tertiary amino compound
dopamine uptake inhibitor
gbr 129351-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine : An N-alkylpiperazine that consists of piperazine bearing 2-(benzhydryloxy)ethyl and 3-phenylpropyl groups at positions 1 and 4 respectively. Potent and selective inhibitor of dopamine uptake (KD = 5.5 nM in rat striatal membranes).ether;
N-alkylpiperazine;
tertiary amino compound
dopamine uptake inhibitor
2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) esterbenzenes
gossypolGossypol: A dimeric sesquiterpene found in cottonseed (GOSSYPIUM). The (-) isomer is active as a male contraceptive (CONTRACEPTIVE AGENTS, MALE) whereas toxic symptoms are associated with the (+) isomer.
gr 89696GR 89696: a potent & selective kappa opioid receptor agonist; RN given refers to (E)-2-butenedioate(1:1); RN for parent cpd not available 11/92; GR 103545 is the (R)-isomeracetamides
granisetronaromatic amide;
indazoles
guanfacineGuanfacine: A centrally acting antihypertensive agent with specificity towards ADRENERGIC ALPHA-2 RECEPTORS.acetamides
guvacineguvacine : A alpha,beta-unsaturated monocarboxylic acid that is nicotinic acid which has been hydrogenated at the 1-2 and 5-6 positions of the pyridine ring.

guvacine: RN given refers to parent cpd
alpha,beta-unsaturated monocarboxylic acid;
beta-amino acid;
pyridine alkaloid;
secondary amino compound;
tetrahydropyridine
GABA reuptake inhibitor;
plant metabolite
fasudilfasudil : An isoquinoline substituted by a (1,4-diazepan-1-yl)sulfonyl group at position 5. It is a Rho-kinase inhibitor and its hydrochloride hydrate form is approved for the treatment of cerebral vasospasm and cerebral ischemia.

fasudil: intracellular calcium antagonist; structure in first source
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
haloperidolhaloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.

Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279)
aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol
antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
haloproginhaloprogin: minor descriptor (73-86); on-line & INDEX MEDICUS search PHENYL ETHERS (73-86)aromatic ether
hexachlorophenehexachlorophene : An organochlorine compound that is diphenylmethane in which each of the phenyl groups is substituted by chlorines at positions 2, 3, and 5, and by a hydroxy group at position 6. An antiseptic that is effective against Gram-positive organisms, it is used in soaps and creams for the treatment of various skin disorders. It is also used in agriculture as an acaricide and fungicide, but is not approved for such use within the European Union.

Hexachlorophene: A chlorinated bisphenol antiseptic with a bacteriostatic action against Gram-positive organisms, but much less effective against Gram-negative organisms. It is mainly used in soaps and creams and is an ingredient of various preparations used for skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p797)
bridged diphenyl fungicide;
polyphenol;
trichlorobenzene
acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug
hexylresorcinolresorcinols
hydralazinehydralazine : The 1-hydrazino derivative of phthalazine; a direct-acting vasodilator that is used as an antihypertensive agent.

Hydralazine: A direct-acting vasodilator that is used as an antihypertensive agent.
azaarene;
hydrazines;
ortho-fused heteroarene;
phthalazines
antihypertensive agent;
vasodilator agent
hydroxychloroquinehydroxychloroquine : An aminoquinoline that is chloroquine in which one of the N-ethyl groups is hydroxylated at position 2. An antimalarial with properties similar to chloroquine that acts against erythrocytic forms of malarial parasites, it is mainly used as the sulfate salt for the treatment of lupus erythematosus, rheumatoid arthritis, and light-sensitive skin eruptions.

Hydroxychloroquine: A chemotherapeutic agent that acts against erythrocytic forms of malarial parasites. Hydroxychloroquine appears to concentrate in food vacuoles of affected protozoa. It inhibits plasmodial heme polymerase. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p970)
aminoquinoline;
organochlorine compound;
primary alcohol;
secondary amino compound;
tertiary amino compound
anticoronaviral agent;
antimalarial;
antirheumatic drug;
dermatologic drug
hydroxyureaone-carbon compound;
ureas
antimetabolite;
antimitotic;
antineoplastic agent;
DNA synthesis inhibitor;
EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor;
genotoxin;
immunomodulator;
radical scavenger;
teratogenic agent
hydroxyzinehydroxyzine : A N-alkylpiperazine that is piperzine in which the nitrogens atoms are substituted by 2-(2-hydroxyethoxy)ethyl and (4-chlorophenyl)(phenyl)methyl groups respectively.

Hydroxyzine: A histamine H1 receptor antagonist that is effective in the treatment of chronic urticaria, dermatitis, and histamine-mediated pruritus. Unlike its major metabolite CETIRIZINE, it does cause drowsiness. It is also effective as an antiemetic, for relief of anxiety and tension, and as a sedative.
hydroxyether;
monochlorobenzenes;
N-alkylpiperazine
anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist
ici 204448ICI 204448: kappa opioid receptor agonist; structure given in first sourcemonocarboxylic acid
ifenprodilifenprodil: NMDA receptor antagonistpiperidines
imipramineimipramine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom.

Imipramine: The prototypical tricyclic antidepressant. It has been used in major depression, dysthymia, bipolar depression, attention-deficit disorders, agoraphobia, and panic disorders. It has less sedative effect than some other members of this therapeutic group.
dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
indirubin-3'-monoximeindirubin-3'-monoxime : A member of the class of biindoles that is indirubin in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime.

indirubin-3'-monoxime: has antiangiogenic activity
indoprofenindoprofen : A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(1-oxo-1,3-dihydroisoindol-2-yl)phenyl group. Initially used as an anti-inflammatory and analgesic, it was withdrawn from the market due to causing severe gastrointestinal bleeding. It has been subsequently found to increase production of the survival motor neuron protein.

Indoprofen: A drug that has analgesic and anti-inflammatory properties. Following reports of adverse reactions including reports of carcinogenicity in animal studies it was withdrawn from the market worldwide. (From Martindale, The Extra Pharmacopoeia, 30th ed, p21)
gamma-lactam;
isoindoles;
monocarboxylic acid
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
iodoacetamide
iodoquinoliodoquinol : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 are replaced by iodine. It is considered the drug of choice for treating asymptomatic or moderate forms of amoebiasis.

Iodoquinol: One of the halogenated 8-quinolinols widely used as an intestinal antiseptic, especially as an antiamebic agent. It is also used topically in other infections and may cause CNS and eye damage. It is known by very many similar trade names world-wide.
monohydroxyquinoline;
organoiodine compound
antiamoebic agent;
antibacterial agent;
antiprotozoal drug;
antiseptic drug
1-methyl-3-isobutylxanthine1-Methyl-3-isobutylxanthine: A potent cyclic nucleotide phosphodiesterase inhibitor; due to this action, the compound increases cyclic AMP and cyclic GMP in tissue and thereby activates CYCLIC NUCLEOTIDE-REGULATED PROTEIN KINASES

3-isobutyl-1-methylxanthine : An oxopurine that is xanthine which is substituted at positions 1 and 3 by methyl and isobutyl groups, respectively.
3-isobutyl-1-methylxanthine
isofluraneIsoflurane: A stable, non-explosive inhalation anesthetic, relatively free from significant side effects.organofluorine compoundinhalation anaesthetic
isoguvacineisoguvacine: A GABA agonist; RN given refers to parent cpd; structuretetrahydropyridine
4-piperidinecarboxylic acid4-piperidinecarboxylic acid: structure in first source
isoproterenolisoprenaline : A secondary amino compound that is noradrenaline in which one of the hydrogens attached to the nitrogen is replaced by an isopropyl group. A sympathomimetic acting almost exclusively on beta-adrenergic receptors, it is used (mainly as the hydrochloride salt) as a bronghodilator and heart stimulant for the management of a variety of cardiac disorders.

Isoproterenol: Isopropyl analog of EPINEPHRINE; beta-sympathomimetic that acts on the heart, bronchi, skeletal muscle, alimentary tract, etc. It is used mainly as bronchodilator and heart stimulant.
catechols;
secondary alcohol;
secondary amino compound
beta-adrenergic agonist;
bronchodilator agent;
cardiotonic drug;
sympathomimetic agent
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazolineWHI P131: a quinazoline derivative, inhibitor of glioblastoma cell adhesion and migration
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanoneZM39923: structure in first sourcenaphthalenes
1-(2-naphthalenyl)-2-propen-1-onenaphthalenes
jl 18JL 18: a pyridobenzodiazepine derivative bioisoster of clozapine
juglonejuglone : A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogen at position 5 has been replaced by a hydroxy group. A plant-derived 1,4-naphthoquinone with confirmed antibacterial and antitumor activities.

juglone: structure
hydroxy-1,4-naphthoquinonegeroprotector;
herbicide;
reactive oxygen species generator
nsc 664704kenpaullone : An indolobenzazepine that is paullone in which the hydrogen at position 9 is replaced by a bromo substituent. It is an ATP-competitive inhibitor of cyclin-dependent kinases (CDKs) and glycogen synthase kinase 3beta (GSK3beta).

kenpaullone: inhibits CDK1/cyclin B; structure in first source
indolobenzazepine;
lactam;
organobromine compound
cardioprotective agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
geroprotector
ketamineketamine : A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group.

Ketamine: A cyclohexanone derivative used for induction of anesthesia. Its mechanism of action is not well understood, but ketamine can block NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE) and may interact with sigma receptors.
cyclohexanones;
monochlorobenzenes;
secondary amino compound
analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic
ketanserinketanserin : A member of the class of quinazolines that is quinazoline-2,4(1H,3H)-dione which is substituted at position 3 by a 2-[4-(p-fluorobenzoyl)piperidin-1-yl]ethyl group.

Ketanserin: A selective serotonin receptor antagonist with weak adrenergic receptor blocking properties. The drug is effective in lowering blood pressure in essential hypertension. It also inhibits platelet aggregation. It is well tolerated and is particularly effective in older patients.
aromatic ketone;
organofluorine compound;
piperidines;
quinazolines
alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
ketoconazole1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine : A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by imidazol-1-ylmethyl, 2,4-dichlorophenyl, and [para-(4-acetylpiperazin-1-yl)phenoxy]methyl groups, respectively.dichlorobenzene;
dioxolane;
ether;
imidazoles;
N-acylpiperazine;
N-arylpiperazine
ketotifenketotifen : An organic heterotricyclic compound that is 4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one which is substituted at position 4 by a 1-methylpiperidin-4-ylidene group. A blocker of histamine H1 receptors with a stabilising action on mast cells, it is used (usually as its hydrogen fumarate salt) for the treatment of asthma, where it may take several weeks to exert its full effect.

Ketotifen: A cycloheptathiophene blocker of histamine H1 receptors and release of inflammatory mediators. It has been proposed for the treatment of asthma, rhinitis, skin allergies, and anaphylaxis.
cyclic ketone;
olefinic compound;
organic heterotricyclic compound;
organosulfur heterocyclic compound;
piperidines;
tertiary amino compound
anti-asthmatic drug;
H1-receptor antagonist
kynurenic acidkynurenic acid : A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by a hydroxy group at C-4.

Kynurenic Acid: A broad-spectrum excitatory amino acid antagonist used as a research tool.
monohydroxyquinoline;
quinolinemonocarboxylic acid
G-protein-coupled receptor agonist;
human metabolite;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist;
Saccharomyces cerevisiae metabolite
labetalol2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide : A member of the class of benzamides that is benzamide substituted by a hydroxy group at position 2 and by a 1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl group at position 5.

labetalol : A diastereoisomeric mixture of approximately equal amounts of all four possible stereoisomers ((R,S)-labetolol, (S,R)-labetolol, (S,S)-labetalol and (R,R)-labetalol). It is an adrenergic antagonist used to treat high blood pressure.

Labetalol: A salicylamide derivative that is a non-cardioselective blocker of BETA-ADRENERGIC RECEPTORS and ALPHA-1 ADRENERGIC RECEPTORS.
benzamides;
benzenes;
phenols;
primary carboxamide;
salicylamides;
secondary alcohol;
secondary amino compound
beta-lapachonebeta-lapachone : A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities.

beta-lapachone: antineoplastic inhibitor of reverse transcriptase, DNA topoisomerase, and DNA polymerase
benzochromenone;
orthoquinones
anti-inflammatory agent;
antineoplastic agent;
plant metabolite
leflunomideleflunomide : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-methyl-1,2-oxazole-4-carboxylic acid with the anilino group of 4-(trifluoromethyl)aniline. The prodrug of teriflunomide.

Leflunomide: An isoxazole derivative that inhibits dihydroorotate dehydrogenase, the fourth enzyme in the pyrimidine biosynthetic pathway. It is used an immunosuppressive agent in the treatment of RHEUMATOID ARTHRITIS and PSORIATIC ARTHRITIS.
(trifluoromethyl)benzenes;
isoxazoles;
monocarboxylic acid amide
antineoplastic agent;
antiparasitic agent;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
hepatotoxic agent;
immunosuppressive agent;
non-steroidal anti-inflammatory drug;
prodrug;
pyrimidine synthesis inhibitor;
tyrosine kinase inhibitor
loperamideloperamide : A synthetic piperidine derivative, effective against diarrhoea resulting from gastroenteritis or inflammatory bowel disease.

Loperamide: One of the long-acting synthetic ANTIDIARRHEALS; it is not significantly absorbed from the gut, and has no effect on the adrenergic system or central nervous system, but may antagonize histamine and interfere with acetylcholine release locally.
monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol
anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist
loratadineloratadine : A benzocycloheptapyridine that is 6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine substituted by a chloro group at position 8 and a 1-(ethoxycarbonyl)piperidin-4-ylidene group at position 11. It is a H1-receptor antagonist commonly employed in the treatment of allergic disorders.

Loratadine: A second-generation histamine H1 receptor antagonist used in the treatment of allergic rhinitis and urticaria. Unlike most classical antihistamines (HISTAMINE H1 ANTAGONISTS) it lacks central nervous system depressing effects such as drowsiness.
benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide
anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
loxapineLoxapine: An antipsychotic agent used in SCHIZOPHRENIA.dibenzooxazepineantipsychotic agent;
dopaminergic antagonist
2-(4-morpholinyl)-8-phenyl-4h-1-benzopyran-4-one2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one: specific inhibitor of phosphatidylinositol 3-kinase; structure in first sourcechromones;
morpholines;
organochlorine compound
autophagy inhibitor;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
geroprotector
maprotilineMaprotiline: A bridged-ring tetracyclic antidepressant that is both mechanistically and functionally similar to the tricyclic antidepressants, including side effects associated with its use.anthracenes
mazindolMazindol: Tricyclic anorexigenic agent unrelated to and less toxic than AMPHETAMINE, but with some similar side effects. It inhibits uptake of catecholamines and blocks the binding of cocaine to the dopamine uptake transporter.organic molecular entity
mecamylamineMecamylamine: A nicotinic antagonist that is well absorbed from the gastrointestinal tract and crosses the blood-brain barrier. Mecamylamine has been used as a ganglionic blocker in treating hypertension, but, like most ganglionic blockers, is more often used now as a research tool.primary aliphatic amine
mefloquine hydrochloride[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol : An organofluorine compound that consists of quinoline bearing trifluoromethyl substituents at positions 2 and 8 as well as a (2-piperidinyl)hydroxymethyl substituent at position 4.organofluorine compound;
piperidines;
quinolines;
secondary alcohol
memantineadamantanes;
primary aliphatic amine
antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist
vitamin k 3Vitamin K 3: A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted to active vitamin K2, menaquinone, after alkylation in vivo.1,4-naphthoquinones;
vitamin K
angiogenesis inhibitor;
antineoplastic agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
human urinary metabolite;
nutraceutical
meperidineMeperidine: A narcotic analgesic that can be used for the relief of most types of moderate to severe pain, including postoperative pain and the pain of labor. Prolonged use may lead to dependence of the morphine type; withdrawal symptoms appear more rapidly than with morphine and are of shorter duration.

pethidine : A piperidinecarboxylate ester that is piperidine which is substituted by a methyl group at position 1 and by phenyl and ethoxycarbonyl groups at position 4. It is an analgesic which is used for the treatment of moderate to severe pain, including postoperative pain and labour pain.
ethyl ester;
piperidinecarboxylate ester;
tertiary amino compound
antispasmodic drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
mescalinemescaline : A phenethylamine alkaloid that is phenethylamine substituted at positions 3, 4 and 5 by methoxy groups.

Mescaline: Hallucinogenic alkaloid isolated from the flowering heads (peyote) of Lophophora (formerly Anhalonium) williamsii, a Mexican cactus used in Indian religious rites and as an experimental psychotomimetic. Among its cellular effects are agonist actions at some types of serotonin receptors. It has no accepted therapeutic uses although it is legal for religious use by members of the Native American Church.
methoxybenzenes;
phenethylamine alkaloid;
primary amino compound
hallucinogen
methadone6-(dimethylamino)-4,4-diphenylheptan-3-one : A ketone that is heptan-3-one substituted by a dimethylamino group at position 6 and two phenyl groups at position 4.

methadone : A racemate comprising equimolar amounts of dextromethadone and levomethadone. It is a opioid analgesic which is used as a painkiller and as a substitute for heroin in the treatment of heroin addiction.

Methadone: A synthetic opioid that is used as the hydrochloride. It is an opioid analgesic that is primarily a mu-opioid agonist. It has actions and uses similar to those of MORPHINE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1082-3)
benzenes;
diarylmethane;
ketone;
tertiary amino compound
methapyrilenemethapyrilene : A member of the class of ethylenediamine derivatives that is ethylenediamine in which one of the nitrogens is substituted by two methyl groups, and the other nitrogen is substituted by a 2-pyridyl group and a (2-thienyl)methyl group.

Methapyrilene: Histamine H1 antagonist with sedative action used as a hypnotic and in allergies.
ethylenediamine derivativeanti-allergic agent;
carcinogenic agent;
H1-receptor antagonist;
sedative
methiothepinmethiothepin : A dibenzothiepine that is 10,11-dihydrodibenzo[b,f]thiepine bearing additional methylthio and 4-methylpiperazin-1-yl substituents at positions 8 and 10 respectively. Potent 5-HT2 antagonist, also active as 5-HT1 antagonist. Differentiates 5-HT1D sub-types. Also displays affinity for rodent 5-HT5B, 5-HT5A, 5-HT7 and 5-HT6 receptors (pK1 values are 6.6, 7.0, 8.4 and 8.7 respectively).

Methiothepin: A serotonin receptor antagonist in the CENTRAL NERVOUS SYSTEM used as an antipsychotic.
aryl sulfide;
dibenzothiepine;
N-alkylpiperazine;
tertiary amino compound
antipsychotic agent;
dopaminergic antagonist;
geroprotector;
serotonergic antagonist
methoctraminearomatic ether;
tetramine
muscarinic antagonist
doxorubicin hydrochloridefolic acids
nocodazolearomatic ketone;
benzimidazoles;
carbamate ester;
thiophenes
antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator
methyl parathionMethyl Parathion: The methyl homolog of parathion. An effective, but highly toxic, organothiophosphate insecticide and cholinesterase inhibitor.

parathion-methyl : A C-nitro compound that is 4-nitrophenol substituted by a (dimethoxyphosphorothioyl)oxy group at position 4.
C-nitro compound;
organic thiophosphate;
organothiophosphate insecticide
acaricide;
agrochemical;
antifungal agent;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
environmental contaminant;
genotoxin
n-methylcarbamylcholineN-methylcarbamylcholine: structure given in first source
5-methylfurtrethonium5-methylfurtrethonium: RN given refers to parent cpd; structurearalkylamine
methylphenidatemethyl phenyl(piperidin-2-yl)acetate : A amino acid ester that is methyl phenylacetate in which one of the hydrogens alpha to the carbonyl group is replaced by a piperidin-2-yl group.

methylphenidate : A racemate comprising equimolar amounts of the two threo isomers of methyl phenyl(piperidin-2-yl)acetate. A central stimulant and indirect-acting sympathomimetic, is used (generally as the hydrochloride salt) in the treatment of hyperactivity disorders in children and for the treatment of narcolepsy.

Methylphenidate: A central nervous system stimulant used most commonly in the treatment of ATTENTION DEFICIT DISORDER in children and for NARCOLEPSY. Its mechanisms appear to be similar to those of DEXTROAMPHETAMINE. The d-isomer of this drug is referred to as DEXMETHYLPHENIDATE HYDROCHLORIDE.
beta-amino acid ester;
methyl ester;
piperidines
metoclopramidemetoclopramide : A member of the class of benzamides resulting from the formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with the primary amino group of N,N-diethylethane-1,2-diamine.

Metoclopramide: A dopamine D2 antagonist that is used as an antiemetic.
benzamides;
monochlorobenzenes;
substituted aniline;
tertiary amino compound
antiemetic;
dopaminergic antagonist;
environmental contaminant;
gastrointestinal drug;
xenobiotic
mianserinmianserin : A dibenzoazepine (specifically 1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine) methyl-substituted on N-2. Closely related to (and now mostly superseded by) the tetracyclic antidepressant mirtazapinean, it is an atypical antidepressant used in the treatment of depression throughout Europe and elsewhere.

Mianserin: A tetracyclic compound with antidepressant effects. It may cause drowsiness and hematological problems. Its mechanism of therapeutic action is not well understood, although it apparently blocks alpha-adrenergic, histamine H1, and some types of serotonin receptors.
dibenzoazepineadrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
geroprotector;
H1-receptor antagonist;
histamine agonist;
sedative;
serotonergic antagonist
miconazole1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 2,4-dichlorobenzyl group.

miconazole : A racemate composed of equimolar amounts of (R)- and (S)-miconazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections. It inhibits the synthesis of ergosterol, a critical component of fungal cell membranes.

Miconazole: An imidazole antifungal agent that is used topically and by intravenous infusion.
dichlorobenzene;
ether;
imidazoles
mirtazapineMirtazapine: A piperazinoazepine tetracyclic compound that enhances the release of NOREPINEPHRINE and SEROTONIN through blockage of presynaptic ALPHA-2 ADRENERGIC RECEPTORS. It also blocks both 5-HT2 and 5-HT3 serotonin receptors and is a potent HISTAMINE H1 RECEPTOR antagonist. It is used for the treatment of depression, and may also be useful for the treatment of anxiety disorders.benzazepine;
tetracyclic antidepressant
alpha-adrenergic antagonist;
anxiolytic drug;
H1-receptor antagonist;
histamine antagonist;
oneirogen;
serotonergic antagonist
mitotaneMitotane: A derivative of the insecticide DICHLORODIPHENYLDICHLOROETHANE that specifically inhibits cells of the adrenal cortex and their production of hormones. It is used to treat adrenocortical tumors and causes CNS damage, but no bone marrow depression.diarylmethane
mitoxantronemitoxantrone : A dihydroxyanthraquinone that is 1,4-dihydroxy-9,10-anthraquinone which is substituted by 6-hydroxy-1,4-diazahexyl groups at positions 5 and 8.

Mitoxantrone: An anthracenedione-derived antineoplastic agent.
dihydroxyanthraquinoneanalgesic;
antineoplastic agent
modafinil2-[(diphenylmethyl)sulfinyl]acetamide : A sulfoxide that is dimethylsulfoxide in which two hydrogens attached to one of the methyl groups are replaced by phenyl groups, while one hydrogen attached to the other methyl group is replaced by a carbamoyl (aminocarbonyl) group.

modafinil : A racemate comprising equimolar amounts of armodafinil and (S)-modafinil. A central nervous system stimulant, it is used for the treatment of sleeping disorders such as narcolepsy, obstructive sleep apnoea, and shift-work sleep disorder. The optical enantiomers of modafinil have similar pharmacological actions in animals.

Modafinil: A benzhydryl acetamide compound, central nervous system stimulant, and CYP3A4 inducing agent that is used in the treatment of NARCOLEPSY and SLEEP WAKE DISORDERS.
monocarboxylic acid amide;
sulfoxide
moperonemoperone: RN given refers to parent cpd; structurearomatic ketone
muscimolmuscimol : A member of the class of isoxazoles that is 1,2-oxazol-3(2H)-one substituted by an aminomethyl group at position 5. It has been isolated from mushrooms of the genus Amanita.

Muscimol: A neurotoxic isoxazole isolated from species of AMANITA. It is obtained by decarboxylation of IBOTENIC ACID. Muscimol is a potent agonist of GABA-A RECEPTORS and is used mainly as an experimental tool in animal and tissue studies.
alkaloid;
isoxazoles;
primary amino compound
fungal metabolite;
GABA agonist;
oneirogen;
psychotropic drug
1-(3-trifluoromethylphenyl)piperazine1-(3-(trifluoromethyl)phenyl)piperazine : A N-arylpiperazine that is piperazine substituted by a 3-(trifluoromethyl)phenyl group at position 1. A serotonergic agonist used as a recreational drug.

1-(3-trifluoromethylphenyl)piperazine: acts as serotonin agonist; structure
(trifluoromethyl)benzenes;
N-arylpiperazine
environmental contaminant;
psychotropic drug;
serotonergic agonist;
xenobiotic
fg 7142FG 7142: benzodiazepine receptor agonistbeta-carbolines
deoxyepinephrineDeoxyepinephrine: Sympathomimetic, vasoconstrictor agent.catecholamine
n 0840N(6)-cyclopentyl-9-methyladenine: selective, orally active A(1) adenosine receptor antagonist
etoposide phosphate
nabumetonenabumetone : A methyl ketone that is 2-butanone in which one of the methyl hydrogens at position 4 is replaced by a 6-methoxy-2-naphthyl group. A prodrug that is converted to the active metabolite, 6-methoxy-2-naphthylacetic acid, following oral administration. It is shown to have a slightly lower risk of gastrointestinal side effects than most other non-steroidal anti-inflammatory drugs.

Nabumetone: A butanone non-steroidal anti-inflammatory drug and cyclooxygenase-2 (COX2) inhibitor that is used in the management of pain associated with OSTEOARTHRITIS and RHEUMATOID ARTHRITIS.
methoxynaphthalene;
methyl ketone
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug
nafamostatnafamostat: inhibitor of trypsin, plasmin, pancreatic kallikrein, plasma kallikrein & thrombin; strongly inhibits esterolytic activities of C1r & C1 esterase complement-mediated hemolysis; antineoplasticbenzoic acids;
guanidines
nefazodonenefazodone: may be useful as an opiate adjunctaromatic ether;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazoles
alpha-adrenergic antagonist;
analgesic;
antidepressant;
serotonergic antagonist;
serotonin uptake inhibitor
nemonaprideN-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-(methylamino)benzamide : A benzamide obtained by formal condensation of the carboxy group of 5-chloro-2-methoxy-4-(methylamino)benzoic acid with the amino group of 1-benzyl-2-methylpyrrolidin-3-amine.benzamides;
monochlorobenzenes;
monomethoxybenzene;
N-alkylpyrrolidine;
secondary amino compound;
secondary carboxamide;
substituted aniline
nialamideNialamide: An MAO inhibitor that is used as an antidepressive agent.organonitrogen compound;
organooxygen compound
niclosamideniclosamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-chlorosalicylic acid with the amino group of 2-chloro-4-nitroaniline. It is an oral anthelmintic drug approved for use against tapeworm infections.

Niclosamide: An antihelmintic that is active against most tapeworms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p48)
benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide
anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor
nifedipineNifedipine: A potent vasodilator agent with calcium antagonistic action. It is a useful anti-anginal agent that also lowers blood pressure.C-nitro compound;
dihydropyridine;
methyl ester
calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
nimesulidenimesulide : An aromatic ether having phenyl and 2-methylsulfonamido-5-nitrophenyl as the two aryl groups.

nimesulide: structure
aromatic ether;
C-nitro compound;
sulfonamide
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
nipecotic acidnipecotic acid : A piperidinemonocarboxylic acid that is piperidine in which one of the hydrogens at position 3 is substituted by a carboxylic acid group.

nipecotic acid: RN given refers to cpd without isomeric designation
beta-amino acid;
piperidinemonocarboxylic acid
nisoldipinemethyl 2-methylpropyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate : A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a methoxycarbonyl group at position 3, an o-nitrophenyl group at position 4, and an isobutoxycarbonyl group at position 5. The racemate, a calcium channel blocker, is used in the treatment of hypertension and angina pectoris.

nisoldipine : A racemate consisting of equimolar amounts of (R)- and (S)-nisoldipine. A calcium channel blocker, it is used in the treatment of hypertension and angina pectoris.

Nisoldipine: A dihydropyridine calcium channel antagonist that acts as a potent arterial vasodilator and antihypertensive agent. It is also effective in patients with cardiac failure and angina.
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
methyl ester
nisoxetinenisoxetine : A secondary amino compound that is N-methyl-3-phenylpropan-1-amine substituted at position 3 by a 2-methoxyphenoxy group.

nisoxetine: potent inhibitor for norepinephrine uptake into rat brain synaptosomes & brain; NM refers to (+-)-isomer; RN given refers to parent cpd; structure
aromatic ether;
secondary amino compound
adrenergic uptake inhibitor;
antidepressant
nitrazepamnitrazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one which is substituted at positions 5 and 7 by phenyl and nitro groups, respectively. It is used as a hypnotic for the short-term management of insomnia and for the treatment of epileptic spasms in infants (West's syndrome).

Nitrazepam: A benzodiazepine derivative used as an anticonvulsant and hypnotic.
1,4-benzodiazepinone;
C-nitro compound
anticonvulsant;
antispasmodic drug;
drug metabolite;
GABA modulator;
sedative
nomifensinenomifensine : An N-methylated tetrahydroisoquinoline carrying phenyl and amino substituents at positions C-4 and C-8, respectively.

Nomifensine: An isoquinoline derivative that prevents dopamine reuptake into synaptosomes. The maleate was formerly used in the treatment of depression. It was withdrawn worldwide in 1986 due to the risk of acute hemolytic anemia with intravascular hemolysis resulting from its use. In some cases, renal failure also developed. (From Martindale, The Extra Pharmacopoeia, 30th ed, p266)
isoquinolinesdopamine uptake inhibitor
cm 7116norflutoprazepam: structurebenzodiazepine
nortriptylinenortriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(methylamino)propylidene group at position 5. It is an active metabolite of amitriptyline.

Nortriptyline: A metabolite of AMITRIPTYLINE that is also used as an antidepressive agent. Nortriptyline is used in major depression, dysthymia, and atypical depressions.
organic tricyclic compound;
secondary amine
adrenergic uptake inhibitor;
analgesic;
antidepressant;
antineoplastic agent;
apoptosis inducer;
drug metabolite
ns 1619NS 1619 : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which the hydrogens at positions 1 and 5 are replaced are replaced by 2-hydroxy-5-(trifluoromethyl)phenyl and trifluoromethyl groups, respectively. It is an opener/activator of the large-conductance calcium-activated potassium channel (Bkca).

NS 1619: structure given in first source
(trifluoromethyl)benzenes;
benzimidazoles;
phenols
potassium channel opener
octopamineoctopamine : A member of the class of phenylethanolamines that is phenol which is substituted at the para- position by a 2-amino-1-hydroxyethyl group. A biogenic phenylethanolamine which has been found to act as a neurotransmitter, neurohormone or neuromodulator in invertebrates.

Octopamine: An alpha-adrenergic sympathomimetic amine, biosynthesized from tyramine in the CNS and platelets and also in invertebrate nervous systems. It is used to treat hypotension and as a cardiotonic. The natural D(-) form is more potent than the L(+) form in producing cardiovascular adrenergic responses. It is also a neurotransmitter in some invertebrates.
phenylethanolamines;
tyramines
neurotransmitter
ondansetronOndansetron: A competitive serotonin type 3 receptor antagonist. It is effective in the treatment of nausea and vomiting caused by cytotoxic chemotherapy drugs, including cisplatin, and has reported anxiolytic and neuroleptic properties.carbazoles
orphenadrineorphenadrine : A tertiary amino compound which is the phenyl-o-tolylmethyl ether of 2-(dimethylamino)ethanol.

Orphenadrine: A muscarinic antagonist used to treat drug-induced parkinsonism and to relieve pain from muscle spasm.
ether;
tertiary amino compound
antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
oxotremorineOxotremorine: A non-hydrolyzed muscarinic agonist used as a research tool.N-alkylpyrrolidine
oxybutyninoxybutynin : A racemate comprising equimolar amounts of (R)-oxybutynin and esoxybutynin. An antispasmodic used for the treatment of overactive bladder.

oxybutynin: RN given refers to parent cpd
acetylenic compound;
carboxylic ester;
racemate;
tertiary alcohol;
tertiary amino compound
antispasmodic drug;
calcium channel blocker;
local anaesthetic;
muscarinic antagonist;
muscle relaxant;
parasympatholytic
oxymetazolineoxymetazoline : A member of the class of phenols that is 2,4-dimethylphenol which is substituted at positions 3 and 6 by 4,5-dihydro-1H-imidazol-2-ylmethyl and tert-butyl groups, respectively. A direct-acting sympathomimetic with marked alpha-adrenergic activity, it is a vasoconstrictor that is used (generally as the hydrochloride salt) to relieve nasal congestion.

Oxymetazoline: A direct acting sympathomimetic used as a vasoconstrictor to relieve nasal congestion. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1251)
carboxamidine;
imidazolines;
phenols
alpha-adrenergic agonist;
nasal decongestant;
sympathomimetic agent;
vasoconstrictor agent
palmidrolpalmidrol: a cannabinoid receptor-inactive eCB-related molecule used as prophylactic in helping to prevent respiratory viral infection

palmitoyl ethanolamide : An N-(long-chain-acyl)ethanolamine that is the ethanolamide of palmitic (hexadecanoic) acid.
endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-(saturated fatty acyl)ethanolamine
anti-inflammatory drug;
anticonvulsant;
antihypertensive agent;
neuroprotective agent
patulinpatulin : A furopyran and lactone that is (2H-pyran-3(6H)-ylidene)acetic acid which is substituted by hydroxy groups at positions 2 and 4 and in which the hydroxy group at position 4 has condensed with the carboxy group to give the corresponding bicyclic lactone. A mycotoxin produced by several species of Aspergillus and Penicillium, it has antibiotic properties but has been shown to be carcinogenic and mutagenic.

Patulin: 4-Hydroxy-4H-furo(3,2-c)pyran-2(6H)-one. A mycotoxin produced by several species of Aspergillus and Penicillium. It is found in unfermented apple and grape juice and field crops. It has antibiotic properties and has been shown to be carcinogenic and mutagenic and causes chromosome damage in biological systems.
furopyran;
gamma-lactone;
lactol
antimicrobial agent;
Aspergillus metabolite;
carcinogenic agent;
mutagen;
mycotoxin;
Penicillium metabolite
pd 1530354-((3-bromophenyl)amino)-6,7-dimethoxyquinazoline: structure given in first source

PD-153035 : A member of the class of quinazolines carrying a 3-bromophenylamino substituent at position 4 and two methoxy substituents at positions 6 and 7.
aromatic amine;
aromatic ether;
bromobenzenes;
quinazolines;
secondary amino compound
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist
pd168393PD 168393 : A member of the class of quinazolines carrying bromoanilino and acrylamido substituents at positions 4 and 6 respectively.acrylamides;
bromobenzenes;
quinazolines;
secondary carboxamide;
substituted aniline
epidermal growth factor receptor antagonist
pd 980592-(2-amino-3-methoxyphenyl)-4H-1-benzopyran-4-one: inhibits MAP kinase kinase (MEK) activity, p42 MAPK and p44 MAPK; structure in first source

2-(2-amino-3-methoxyphenyl)chromen-4-one : A member of the class of monomethoxyflavones that is 3'-methoxyflavone bearing an additional amino substituent at position 2'.
aromatic amine;
monomethoxyflavone
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector
pemolinepemoline : A member of the class of 1,3-oxazoles that is 1,3-oxazol-4(5H)-one which is substituted by an amino group at position 2 and by a phenyl group at position 5. A central nervous system stimulant, it was used to treat hyperactivity disorders in children, but withdrawn from use following reports of serious hepatotoxicity.

Pemoline: A central nervous system stimulant used in fatigue and depressive states and to treat hyperkinetic disorders in children.
1,3-oxazolescentral nervous system stimulant
pentamidinepentamidine : A diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease.

Pentamidine: Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of PNEUMOCYSTIS pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects.
aromatic ether;
carboxamidine;
diether
anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic
perhexilinePerhexiline: 2-(2,2-Dicyclohexylethyl)piperidine. Coronary vasodilator used especially for angina of effort. It may cause neuropathy and hepatitis.piperidinescardiovascular drug
perphenazineperphenazine : A phenothiazine derivative in which the phenothiazine tricycle carries a chloro substituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at N-10.

Perphenazine: An antipsychotic phenothiazine derivative with actions and uses similar to those of CHLORPROMAZINE.
N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines
antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug
phenindionePhenindione: An indandione that has been used as an anticoagulant. Phenindione has actions similar to WARFARIN, but it is now rarely employed because of its higher incidence of severe adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p234)aromatic ketone;
beta-diketone
anticoagulant
phenolphthaleinPhenolphthalein: An acid-base indicator which is colorless in acid solution, but turns pink to red as the solution becomes alkaline. It is used medicinally as a cathartic.phenols
phenyl biguanidephenyl biguanide : A member of the class of biguanides that is biguanide in which one of the terminal nitrogen atoms is substituted by a phenyl group.

phenyl biguanide: RN given refers to parent cpd
guanidinescentral nervous system drug
pifithrinpifithrin: a tetrahydrobenzothiazol; inhibitor of P53 that protects mice from the side effects of cancer therapy; structure in first sourcearomatic ketone
piperidine-4-sulfonic acidpiperidine-4-sulfonic acid: specific GABA agonist
pirenzepinePirenzepine: An antimuscarinic agent that inhibits gastric secretion at lower doses than are required to affect gastrointestinal motility, salivary, central nervous system, cardiovascular, ocular, and urinary function. It promotes the healing of duodenal ulcers and due to its cytoprotective action is beneficial in the prevention of duodenal ulcer recurrence. It also potentiates the effect of other antiulcer agents such as CIMETIDINE and RANITIDINE. It is generally well tolerated by patients.pyridobenzodiazepineanti-ulcer drug;
antispasmodic drug;
muscarinic antagonist
pomiferinpomiferin: structure in first sourceisoflavanones
ag 18793-(4-chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine: Fyn kinase inhibitoraromatic amine;
monochlorobenzenes;
pyrazolopyrimidine
beta-adrenergic antagonist;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector
pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid : An arenesulfonic acid that is pyridoxal 5'-phosphate carrying an additional 2,4-disulfophenylazo substituent at position 6.

pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid: a novel antagonist that selectively blocks P2 purinoceptor receptors; a useful tool to study co-transmission in tissues when ATP and coexisting neurotransmitters act in concert
arenesulfonic acid;
azobenzenes;
methylpyridines;
monohydroxypyridine;
organic phosphate;
pyridinecarbaldehyde
purinergic receptor P2X antagonist
prazosinprazosin : A member of the class of piperazines that is piperazine substituted by a furan-2-ylcarbonyl group and a 4-amino-6,7-dimethoxyquinazolin-2-yl group at positions 1 and 4 respectively.

Prazosin: A selective adrenergic alpha-1 antagonist used in the treatment of HEART FAILURE; HYPERTENSION; PHEOCHROMOCYTOMA; RAYNAUD DISEASE; PROSTATIC HYPERTROPHY; and URINARY RETENTION.
aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines
alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
primaquineprimaquine : An N-substituted diamine that is pentane-1,4-diamine substituted by a 6-methoxyquinolin-8-yl group at the N(4) position. It is a drug used in the treatment of malaria and Pneumocystis pneumonia.

Primaquine: An aminoquinoline that is given by mouth to produce a radical cure and prevent relapse of vivax and ovale malarias following treatment with a blood schizontocide. It has also been used to prevent transmission of falciparum malaria by those returning to areas where there is a potential for re-introduction of malaria. Adverse effects include anemias and GI disturbances. (From Martindale, The Extra Pharmacopeia, 30th ed, p404)
aminoquinoline;
aromatic ether;
N-substituted diamine
antimalarial
procaterolProcaterol: A long-acting beta-2-adrenergic receptor agonist.quinolines
prochlorperazineprochlorperazine : A member of the class of phenothiazines that is 10H-phenothiazine having a chloro substituent at the 2-position and a 3-(4-methylpiperazin-1-yl)propyl group at the N-10 position.

Prochlorperazine: A phenothiazine antipsychotic used principally in the treatment of NAUSEA; VOMITING; and VERTIGO. It is more likely than CHLORPROMAZINE to cause EXTRAPYRAMIDAL DISORDERS. (From Martindale, The Extra Pharmacopoeia, 30th ed, p612)
N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines
alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic
procyclidineprocyclidine : A tertiary alcohol that consists of propan-1-ol substituted by a cyclohexyl and a phenyl group at position 1 and a pyrrolidin-1-yl group at position 3.

Procyclidine: A muscarinic antagonist that crosses the blood-brain barrier and is used in the treatment of drug-induced extrapyramidal disorders and in parkinsonism.
pyrrolidines;
tertiary alcohol
antidyskinesia agent;
antiparkinson drug;
muscarinic antagonist
promazinepromazine : A phenothiazine deriative in which the phenothiazine tricycle has a 3-(dimethylaminopropyl) group at the N-10 position.

Promazine: A phenothiazine with actions similar to CHLORPROMAZINE but with less antipsychotic activity. It is primarily used in short-term treatment of disturbed behavior and as an antiemetic.
phenothiazines;
tertiary amine
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist
promethazinepromethazine : A tertiary amine that is a substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropan-2-amine moiety.

Promethazine: A phenothiazine derivative with histamine H1-blocking, antimuscarinic, and sedative properties. It is used as an antiallergic, in pruritus, for motion sickness and sedation, and also in animals.
phenothiazines;
tertiary amine
anti-allergic agent;
anticoronaviral agent;
antiemetic;
antipruritic drug;
H1-receptor antagonist;
local anaesthetic;
sedative
propachlorpropachlor : An anilide that consists of 2-chloroacetanilide bearing an N-isopropyl substituent.

propachlor: structure
anilide;
monocarboxylic acid amide;
organochlorine compound
environmental contaminant;
herbicide;
xenobiotic
propafenonepropafenone : An aromatic ketone that is 3-(propylamino)propane-1,2-diol in which the hydrogen of the primary hydroxy group is replaced by a 2-(3-phenylpropanoyl)phenyl group. It is a class 1C antiarrhythmic drug with local anesthetic effects, and is used as the hydrochloride salt in the management of supraventricular and ventricular arrhythmias.

Propafenone: An antiarrhythmia agent that is particularly effective in ventricular arrhythmias. It also has weak beta-blocking activity.
aromatic ketone;
secondary alcohol;
secondary amino compound
anti-arrhythmia drug
propofolpropofol : A phenol resulting from the formal substitution of the hydrogen at the 2 position of 1,3-diisopropylbenzene by a hydroxy group.

Propofol: An intravenous anesthetic agent which has the advantage of a very rapid onset after infusion or bolus injection plus a very short recovery period of a couple of minutes. (From Smith and Reynard, Textbook of Pharmacology, 1992, 1st ed, p206). Propofol has been used as ANTICONVULSANTS and ANTIEMETICS.
phenolsanticonvulsant;
antiemetic;
intravenous anaesthetic;
radical scavenger;
sedative
propranololpropranolol : A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3.

Propranolol: A widely used non-cardioselective beta-adrenergic antagonist. Propranolol has been used for MYOCARDIAL INFARCTION; ARRHYTHMIA; ANGINA PECTORIS; HYPERTENSION; HYPERTHYROIDISM; MIGRAINE; PHEOCHROMOCYTOMA; and ANXIETY but adverse effects instigate replacement by newer drugs.
naphthalenes;
propanolamine;
secondary amine
anti-arrhythmia drug;
antihypertensive agent;
anxiolytic drug;
beta-adrenergic antagonist;
environmental contaminant;
human blood serum metabolite;
vasodilator agent;
xenobiotic
psilocinpsilocin : A tryptamine alkaloid that is N,N-dimethyltryptamine carrying an additional hydroxy substituent at position 4. A hallucinogenic alkaloid isolated in trace amounts from Psilocybe mushrooms (also known as Teonanacatl or "magic mushrooms").

psilocin: psilocybine minus the phosphate ester; RN given refers to parent cpd; structure
hydroxyindoles;
phenols;
tertiary amino compound;
tryptamine alkaloid
drug metabolite;
fungal metabolite;
hallucinogen;
human xenobiotic metabolite;
serotonergic agonist
pyridostigminepyridinium ion
pyrilaminemepyramine : An ethylenediamine derivative that is ethylenediamine in which one of the amino nitrogens is substituted by two methyl groups and the remaining amino nitrogen is substituted by a 4-methoxybenzyl and a pyridin-2-yl group.

Pyrilamine: A histamine H1 antagonist. It has mild hypnotic properties and some local anesthetic action and is used for allergies (including skin eruptions) both parenterally and locally. It is a common ingredient of cold remedies.
aromatic ether;
ethylenediamine derivative
H1-receptor antagonist
pyrimethamineMaloprim: contains above 2 cpdsaminopyrimidine;
monochlorobenzenes
antimalarial;
antiprotozoal drug;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
quetiapinedibenzothiazepine;
N-alkylpiperazine;
N-arylpiperazine
adrenergic antagonist;
dopaminergic antagonist;
histamine antagonist;
second generation antipsychotic;
serotonergic antagonist
1,2,5,8-tetrahydroxy anthraquinone1,2,5,8-tetrahydroxy anthraquinone: structure in first source

quinalizarin : A tetrahydroxyanthraquinone having the four hydroxy groups at the 1-, 2-, 5- and 8-positions.
tetrahydroxyanthraquinoneEC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
quipazineQuipazine: A pharmacologic congener of serotonin that contracts smooth muscle and has actions similar to those of tricyclic antidepressants. It has been proposed as an oxytocic.piperazines;
pyridines
6-nitroquipazine6-nitroquipazine: structure given in first sourcenitro compound;
quinolines
n-methylquipazineN-methylquipazine : An aminoquinoline that consists of quinoline in which the hydrogen at position 2 is substituted by a 4-methylpiperazin-1-yl group. A 5-HT3 agonist. Has almost the same affinity for 5-HT3 sites as quipazine but unlike the latter, does not bind to 5-HT1B sites.

N-methylquipazine: structure in first source
aminoquinoline;
N-alkylpiperazine;
N-arylpiperazine
serotonergic agonist
7-chloro-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-olbenzazepine;
organochlorine compound;
tertiary amino compound
dopaminergic antagonist
raloxifeneraloxifene : A member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively.1-benzothiophenes;
aromatic ketone;
N-oxyethylpiperidine;
phenols
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
rbi 257RBI 257: ligand for dopamine D4 receptors; structure in first source
1,6-bis(cyclohexyloximinocarbonyl)hexane1,6-bis(cyclohexyloximinocarbonyl)hexane: selective inhibitor of canine platelet diglyceride lipasecarbamate ester;
organonitrogen compound
riluzoleRiluzole: A glutamate antagonist (RECEPTORS, GLUTAMATE) used as an anticonvulsant (ANTICONVULSANTS) and to prolong the survival of patients with AMYOTROPHIC LATERAL SCLEROSIS.benzothiazoles
risperidonerisperidone : A member of the class of pyridopyrimidines that is 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl group at position 2.

Risperidone: A selective blocker of DOPAMINE D2 RECEPTORS and SEROTONIN 5-HT2 RECEPTORS that acts as an atypical antipsychotic agent. It has been shown to improve both positive and negative symptoms in the treatment of SCHIZOPHRENIA.
1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine
alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
psychotropic drug;
second generation antipsychotic;
serotonergic antagonist
ritanserinritanserin : A thiazolopyrimidine that is 5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one which is substituted at position 7 by a methyl group and at position 6 by a 2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl group. A potent and long-acting seratonin (5-hydroxytryptamine, 5-HT) antagonist of the subtype 5-HT2 (Ki = 0.39 nM), it is used in the treatment of a variety of disorders including anxiety, depression and schizophrenia. It has little sedative action.

Ritanserin: A selective and potent serotonin-2 antagonist that is effective in the treatment of a variety of syndromes related to anxiety and depression. The drug also improves the subjective quality of sleep and decreases portal pressure.
organofluorine compound;
piperidines;
thiazolopyrimidine
antidepressant;
antipsychotic agent;
anxiolytic drug;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
rizatriptanrizatriptan: structure given in first source; RN given refers to benzoatetryptaminesanti-inflammatory drug;
serotonergic agonist;
vasoconstrictor agent
ro 15-4513Ro 15-4513: a partial inverse agonist of benzodiazepine receptorsorganic heterotricyclic compound;
organonitrogen heterocyclic compound
ropiniroleindolones;
tertiary amine
antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
dopamine agonist
aurinaurin: structurediarylmethane
salmeterol xinafoate2-(hydroxymethyl)-4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)phenol : A phenol having a hydroxymethyl group at C-2 and a 1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl group at C-4; derivative of phenylethanolamine.

salmeterol : A racemate consisting of equal parts of (R)- and (S)-salmeterol. It is a potent and selective beta2-adrenoceptor agonist (EC50 = 5.3 nM). Unlike other beta2 agonists, it binds to the exo-site domain of beta2 receptors, producing a slow onset of action and prolonged activation.
ether;
phenols;
primary alcohol;
secondary alcohol;
secondary amino compound
sanguinarinebenzophenanthridine alkaloid : A specific group of isoquinoline alkaloids that occur only in higher plants and are constituents mainly of the Papaveraceae family.alkaloid antibiotic;
benzophenanthridine alkaloid;
botanical anti-fungal agent
sb 206553SB 206553: a high-affinity 5-HT(2C/2B) antagonist; structure given in first sourcepyrroloindole
sb 2021904-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole: structure given in first source; inhibits p38 MAP kinaseimidazoles;
organofluorine compound;
phenols;
pyridines
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
sdz 205-557methoxybenzoic acid
sibutraminesibutramine: serotonin and norepinephrine transporter inhibitor; Meridia is tradename for sibutramine hydrochlorideorganochlorine compound;
tertiary amino compound
anti-obesity agent;
serotonin uptake inhibitor
silymarinflavonolignan
sk&f 975413-aminopropyl(methyl)phosphinic acid: structure given in first source; GABA-A receptor antagonist
spiperonespiperone : An azaspiro compound that is 1,3,8-triazaspiro[4.5]decane which is substituted at positions 1, 4, and 8 by phenyl, oxo, and 4-(p-fluorophenyl)-4-oxobutyl groups, respectively.

Spiperone: A spiro butyrophenone analog similar to HALOPERIDOL and other related compounds. It has been recommended in the treatment of SCHIZOPHRENIA.
aromatic ketone;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound
alpha-adrenergic antagonist;
antipsychotic agent;
dopaminergic antagonist;
psychotropic drug;
serotonergic antagonist
imatinibaromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
sulconazole1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole : A member of the class of imidazoles that is 1-ethyl-1H-imidazole in which one of the hydrogens of the methyl group is replaced by a (4-chlorobenzyl)sulfanediyl group while a second is replaced by a 2,4-dichlorophenyl group.

sulconazole : A racemate comprising equimolar amounts of (R)- and (S)-sulconazole. An antifungal agent with activity against Candida species, it is used (generally as the nitrate salt) for the topical treatment of fungal skin infections.

sulconazole: RN given refers to cpd with unspecified isomeric designation; structure given in first source
dichlorobenzene;
imidazoles;
monochlorobenzenes;
organic sulfide
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanolalkylbenzene
sulpiridesulpiride : A member of the class of benzamides obtained from formal condensation between the carboxy group of 2-methoxy-5-sulfamoylbenzoic acid and the primary amino group of (1-ethylpyrrolidin-2-yl)methylamine.

Sulpiride: A dopamine D2-receptor antagonist. It has been used therapeutically as an antidepressant, antipsychotic, and as a digestive aid. (From Merck Index, 11th ed)
benzamides;
N-alkylpyrrolidine;
sulfonamide
antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
sumatriptansumatriptan : A sulfonamide that consists of N,N-dimethyltryptamine bearing an additional (N-methylsulfamoyl)methyl substituent at position 5. Selective agonist for a vascular 5-HT1 receptor subtype (probably a member of the 5-HT1D family). Used (in the form of its succinate salt) for the acute treatment of migraine with or without aura in adults.

Sumatriptan: A serotonin agonist that acts selectively at 5HT1 receptors. It is used in the treatment of MIGRAINE DISORDERS.
sulfonamide;
tryptamines
serotonergic agonist;
vasoconstrictor agent
suraminsuramin : A member of the class of phenylureas that is urea in which each of the amino groups has been substituted by a 3-({2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl}carbamoyl)phenyl group. An activator of both the rabbit skeletal muscle RyR1 and sheep cardiac RyR2 isoform ryanodine receptor channels, it has been used for the treatment of human African trypanosomiasis for over 100 years.

Suramin: A polyanionic compound with an unknown mechanism of action. It is used parenterally in the treatment of African trypanosomiasis and it has been used clinically with diethylcarbamazine to kill the adult Onchocerca. (From AMA Drug Evaluations Annual, 1992, p1643) It has also been shown to have potent antineoplastic properties.
naphthalenesulfonic acid;
phenylureas;
secondary carboxamide
angiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug
temazepamTemazepam: A benzodiazepine that acts as a GAMMA-AMINOBUTYRIC ACID modulator and anti-anxiety agent.benzodiazepine
terfenadineTerfenadine: A selective histamine H1-receptor antagonist devoid of central nervous system depressant activity. The drug was used for ALLERGY but withdrawn due to causing LONG QT SYNDROME.diarylmethane
tetracainetetracaine : A benzoate ester in which 4-N-butylbenzoic acid and 2-(dimethylamino)ethanol have combined to form the ester bond; a local ester anaesthetic (ester caine) used for surface and spinal anaesthesia.

Tetracaine: A potent local anesthetic of the ester type used for surface and spinal anesthesia.
benzoate ester;
tertiary amino compound
local anaesthetic
tetraethylammoniumTetraethylammonium: A potassium-selective ion channel blocker. (From J Gen Phys 1994;104(1):173-90)quaternary ammonium ion
thiabendazoleTresaderm: dermatologic soln containing dexamethasone, thiabendazole & neomycin sulfate1,3-thiazoles;
benzimidazole fungicide;
benzimidazoles
antifungal agrochemical;
antinematodal drug
thioridazinethioridazine : A phenothiazine derivative having a methylsulfanyl subsitituent at the 2-position and a (1-methylpiperidin-2-yl)ethyl] group at the N-10 position.

Thioridazine: A phenothiazine antipsychotic used in the management of PHYCOSES, including SCHIZOPHRENIA.
phenothiazines;
piperidines
alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
tiapridebenzamides
tiloronetilorone : A member of the class of fluoren-9-ones that is 9H-fluoren-9-one which is substituted by a 2-(diethylamino)ethoxy group at positions 2 and 7. It is an interferon inducer and a selective alpha7 nicotinic acetylcholine receptor (alpha7 nAChR) agonist. Its hydrochloride salt is used as an antiviral drug.

Tilorone: An antiviral agent used as its hydrochloride. It is the first recognized synthetic, low-molecular-weight compound that is an orally active interferon inducer, and is also reported to have antineoplastic and anti-inflammatory actions.
aromatic ether;
diether;
fluoren-9-ones;
tertiary amino compound
anti-inflammatory agent;
antineoplastic agent;
antiviral agent;
interferon inducer;
nicotinic acetylcholine receptor agonist
tinoridinetinoridine: proposed anti-inflammatory agent; minor descriptor (75-86); on-line & INDEX MEDICUS seach PYRIDINES (75-86)thienopyridine
(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid(1,2,5,6-tetrahydropyridin-4-yl)methylphosphinic acid: a GABA-C receptor antagonist; structure in first source
ici 136,753pyrazolopyridine
ultram2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol : A tertiary alcohol that is cyclohexanol substituted at positions 1 and 2 by 3-methoxyphenyl and dimethylaminomethyl groups respectively.aromatic ether;
tertiary alcohol;
tertiary amino compound
trazodonetrazodone : An N-arylpiperazine in which one nitrogen is substituted by a 3-chlorophenyl group, while the other is substituted by a 3-(3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)propyl group.

Trazodone: A serotonin uptake inhibitor that is used as an antidepressive agent. It has been shown to be effective in patients with major depressive disorders and other subsets of depressive disorders. It is generally more useful in depressive disorders associated with insomnia and anxiety. This drug does not aggravate psychotic symptoms in patients with schizophrenia or schizoaffective disorders. (From AMA Drug Evaluations Annual, 1994, p309)
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
triazolopyridine
adrenergic antagonist;
antidepressant;
anxiolytic drug;
H1-receptor antagonist;
sedative;
serotonin uptake inhibitor
triacetintriacetin : A triglyceride obtained by acetylation of the three hydroxy groups of glycerol. It has fungistatic properties (based on release of acetic acid) and has been used in the topical treatment of minor dermatophyte infections.

Triacetin: A triglyceride that is used as an antifungal agent.
triglycerideadjuvant;
antifungal drug;
food additive carrier;
food emulsifier;
food humectant;
fuel additive;
plant metabolite;
solvent
triamterenetriamterene : Pteridine substituted at positions 2, 4 and 7 with amino groups and at position 6 with a phenyl group. A sodium channel blocker, it is used as a diuretic in the treatment of hypertension and oedema.

Triamterene: A pteridinetriamine compound that inhibits SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS.
pteridinesdiuretic;
sodium channel blocker
triazolamTriazolam: A short-acting benzodiazepine used in the treatment of insomnia. Some countries temporarily withdrew triazolam from the market because of concerns about adverse reactions, mostly psychological, associated with higher dose ranges. Its use at lower doses with appropriate care and labeling has been reaffirmed by the FDA and most other countries.triazolobenzodiazepinesedative
trifluoperazineN-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
trifluperidolTrifluperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It is used in the treatment of PSYCHOSES including MANIA and SCHIZOPHRENIA. (From Martindale, The Extra Pharmacopoeia, 30th ed, p621)aromatic ketone
triflupromazinetriflupromazine : A member of the class of phenothiazines that is 10H-phenothiazine having a trifluoromethyl subsitituent at the 2-position and a 3-(dimethylamino)propyl group at the N-10 position.

Triflupromazine: A phenothiazine used as an antipsychotic agent and as an antiemetic.
organofluorine compound;
phenothiazines;
tertiary amine
anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
trigonellineN-methylnicotinate : An iminium betaine that is the conjugate base of N-methylnicotinic acid, arising from deprotonation of the carboxy group.

N-methylnicotinic acid : A pyridinium ion consisting of nicotinic acid having a methyl substituent on the pyridine nitrogen.

trigonelline: in hydra among other organisms; RN given refers to hydroxide inner salt; structure
alkaloid;
iminium betaine
food component;
human urinary metabolite;
plant metabolite
trihexyphenidylTrihexyphenidyl: One of the centrally acting MUSCARINIC ANTAGONISTS used for treatment of PARKINSONIAN DISORDERS and drug-induced extrapyramidal movement disorders and as an antispasmodic.amine
trioxsalenantipsoriatic : A drug used to treat psoriasis.

lactone : Any cyclic carboxylic ester containing a 1-oxacycloalkan-2-one structure, or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.

trioxsalen : 7H-Furo[3,2-g]chromen-7-one in which positions 2, 5, and 9 are substituted by methyl groups. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered orally in conjunction with UV-A for phototherapy treatment of vitiligo. After photoactivation it creates interstrand cross-links in DNA, inhibiting DNA synthesis and cell division, and can lead to cell injury; recovery from the cell injury may be followed by increased melanisation of the epidermis.

Trioxsalen: Pigmenting photosensitizing agent obtained from several plants, mainly Psoralea corylifolia. It is administered either topically or orally in conjunction with ultraviolet light in the treatment of vitiligo.
psoralensdermatologic drug;
photosensitizing agent
tropicamideTropicamide: One of the MUSCARINIC ANTAGONISTS with pharmacologic action similar to ATROPINE and used mainly as an ophthalmic parasympatholytic or mydriatic.acetamides
tyraminemonoamine molecular messenger;
primary amino compound;
tyramines
EC 3.1.1.8 (cholinesterase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
neurotransmitter
tyrphostin a9alkylbenzenegeroprotector
6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodeconecyclodepsipeptide
venlafaxinevenlafaxine : A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-methoxyphenyl group.cyclohexanols;
monomethoxybenzene;
tertiary alcohol;
tertiary amino compound
adrenergic uptake inhibitor;
analgesic;
antidepressant;
dopamine uptake inhibitor;
environmental contaminant;
serotonin uptake inhibitor;
xenobiotic
vigabatringamma-amino acidanticonvulsant;
EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor
viloxazineViloxazine: A morpholine derivative used as an antidepressant. It is similar in action to IMIPRAMINE.aromatic ether
n-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-n-(2-pyridinyl)cyclohexanecarboxamidepiperazines
whi p180
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine: adenosine receptor antagonist
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole: antineoplastic; activates platelet guanylate cyclase; a radiosensitizing agent and guanylate cyclase activator; structure in first source

lificiguat : A member of the class of indazoles that is 1H-indazole which is substituted by a benzyl group at position 1 and a 5-(hydroxymethyl)-2-furyl group at position 3. It is an activator of soluble guanylate cyclase and inhibits platelet aggregation.
aromatic primary alcohol;
furans;
indazoles
antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent
zaleplonzaleplon : A pyrazolo[1,5-a]pyrimidine having a nitrile group at position 3 and a 3-(N-ethylacetamido)phenyl substituent at the 7-position.

zaleplon: an azabicyclo(4.3.0)nonane; a nonbenzodiazepine; one of the so-called of Z drugs (zopiclone, eszopiclone, zolpidem, and zaleplon) for which there is some correlation with tumors; a hypnotic with less marked effect on psychomotor functions compared to lorazepam
nitrile;
pyrazolopyrimidine
anticonvulsant;
anxiolytic drug;
central nervous system depressant;
sedative
zm 336372N-(5-(3-dimethylaminobenzamido)-2-methylphenyl)-4-hydroxybenzamide: an inhibitor of c-Raf; activates Raf-1; structure in first sourcebenzamides
zolpidemzolpidem : An imidazo[1,2-a]pyridine compound having a 4-tolyl group at the 2-position, an N,N-dimethylcarbamoylmethyl group at the 3-position and a methyl substituent at the 6-position.

Zolpidem: An imidazopyridine derivative and short-acting GABA-A receptor agonist that is used for the treatment of INSOMNIA.
imidazopyridinecentral nervous system depressant;
GABA agonist;
sedative
zotepinezotepine: structuredibenzothiepine;
tertiary amino compound
alpha-adrenergic drug;
second generation antipsychotic;
serotonergic drug
estriolchlorapatite : A phosphate mineral with the formula Ca5(PO4)3Cl.

hormonin: estrogen replacement; each tablet contains 600 ug micronized 17beta-estradiol, 270 ug estriol and 1.4 mg estrone
16alpha-hydroxy steroid;
17beta-hydroxy steroid;
3-hydroxy steroid
estrogen;
human metabolite;
human xenobiotic metabolite;
mouse metabolite
lysergic acid diethylamidelysergic acid diethylamide : An ergoline alkaloid arising from formal condensation of lysergic acid with diethylamine.

Lysergic Acid Diethylamide: Semisynthetic derivative of ergot (Claviceps purpurea). It has complex effects on serotonergic systems including antagonism at some peripheral serotonin receptors, both agonist and antagonist actions at central nervous system serotonin receptors, and possibly effects on serotonin turnover. It is a potent hallucinogen, but the mechanisms of that effect are not well understood.
ergoline alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound
dopamine agonist;
hallucinogen;
serotonergic agonist
reserpinereserpine : An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria.

Reserpine: An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. Reserpine inhibits the uptake of norepinephrine into storage vesicles resulting in depletion of catecholamines and serotonin from central and peripheral axon terminals. It has been used as an antihypertensive and an antipsychotic as well as a research tool, but its adverse effects limit its clinical use.
alkaloid ester;
methyl ester;
yohimban alkaloid
adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic
phentolaminephentolamine : A substituted aniline that is 3-aminophenol in which the hydrogens of the amino group are replaced by 4-methylphenyl and 4,5-dihydro-1H-imidazol-2-ylmethyl groups respectively. An alpha-adrenergic antagonist, it is used for the treatment of hypertension.

Phentolamine: A nonselective alpha-adrenergic antagonist. It is used in the treatment of hypertension and hypertensive emergencies, pheochromocytoma, vasospasm of RAYNAUD DISEASE and frostbite, clonidine withdrawal syndrome, impotence, and peripheral vascular disease.
imidazoles;
phenols;
substituted aniline;
tertiary amino compound
alpha-adrenergic antagonist;
vasodilator agent
6-methylthiopurine6-methylthiopurine : A thiopurine that is 9H-purine substituted by a methylsulfanyl group at position 6.thiopurine
2,5-dichlorobenzoic acid2,5-dichlorobenzoic acid : A chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2 and 5 are substituted by chloro groups.chlorobenzoic acid;
dichlorobenzene
dextroamphetamine(S)-amphetamine : A 1-phenylpropan-2-amine that has S configuration.

Dextroamphetamine: The d-form of AMPHETAMINE. It is a central nervous system stimulant and a sympathomimetic. It has also been used in the treatment of narcolepsy and of attention deficit disorders and hyperactivity in children. Dextroamphetamine has multiple mechanisms of action including blocking uptake of adrenergics and dopamine, stimulating release of monamines, and inhibiting monoamine oxidase. It is also a drug of abuse and a psychotomimetic.
1-phenylpropan-2-amineadrenergic agent;
adrenergic uptake inhibitor;
dopamine uptake inhibitor;
dopaminergic agent;
neurotoxin;
sympathomimetic agent
carbacholCarbachol: A slowly hydrolyzed CHOLINERGIC AGONIST that acts at both MUSCARINIC RECEPTORS and NICOTINIC RECEPTORS.ammonium salt;
carbamate ester
cardiotonic drug;
miotic;
muscarinic agonist;
nicotinic acetylcholine receptor agonist;
non-narcotic analgesic
estroneHydroxyestrones: Estrone derivatives substituted with one or more hydroxyl groups in any position. They are important metabolites of estrone and other estrogens.17-oxo steroid;
3-hydroxy steroid;
phenolic steroid;
phenols
antineoplastic agent;
bone density conservation agent;
estrogen;
human metabolite;
mouse metabolite
2-acetylaminofluorene2-Acetylaminofluorene: A hepatic carcinogen whose mechanism of activation involves N-hydroxylation to the aryl hydroxamic acid followed by enzymatic sulfonation to sulfoxyfluorenylacetamide. It is used to study the carcinogenicity and mutagenicity of aromatic amines.2-acetamidofluorenesantimitotic;
carcinogenic agent;
epitope;
mutagen
azauridineAzauridine: A triazine nucleoside used as an antineoplastic antimetabolite. It interferes with pyrimidine biosynthesis thereby preventing formation of cellular nucleic acids. As the triacetate, it is also effective as an antipsoriatic.N-glycosyl-1,2,4-triazineantimetabolite;
antineoplastic agent;
drug metabolite
pilocarpine(+)-pilocarpine : The (+)-enantiomer of pilocarpine.

Pilocarpine: A slowly hydrolyzed muscarinic agonist with no nicotinic effects. Pilocarpine is used as a miotic and in the treatment of glaucoma.
pilocarpineantiglaucoma drug
triiodothyronine3,3',5-triiodo-L-thyronine : An iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism.

Triiodothyronine: A T3 thyroid hormone normally synthesized and secreted by the thyroid gland in much smaller quantities than thyroxine (T4). Most T3 is derived from peripheral monodeiodination of T4 at the 5' position of the outer ring of the iodothyronine nucleus. The hormone finally delivered and used by the tissues is mainly T3.
2-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine
human metabolite;
mouse metabolite;
thyroid hormone
(4-(m-chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium chloride(4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium Chloride: A drug that selectively activates certain subclasses of muscarinic receptors and also activates postganglionic nicotinic receptors. It is commonly used experimentally to distinguish muscarinic receptor subtypes.
mechlorethamine hydrochloridemechlorethamine hydrochloride : The hydrochloride salt of mechlorethamine.hydrochlorideantineoplastic agent
cantharidincantharidin : A monoterpenoid with an epoxy-bridged cyclic dicarboxylic anhydride structure secreted by many species of blister beetle, and most notably by the Spanish fly, Lytta vesicatoria. Natural toxin inhibitor of protein phosphatases 1 and 2A.

Cantharidin: A toxic compound, isolated from the Spanish fly or blistering beetle (Lytta (Cantharis) vesicatoria) and other insects. It is a potent and specific inhibitor of protein phosphatases 1 (PP1) and 2A (PP2A). This compound can produce severe skin inflammation, and is extremely toxic if ingested orally.
cyclic dicarboxylic anhydride;
monoterpenoid
EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor;
herbicide
allyl isothiocyanateallyl isothiocyanate : An isothiocyanate with the formula CH2=CHCH2N=C=S. A colorless oil with boiling point 152degreeC, it is responsible for the pungent taste of mustard, horseradish, and wasabi.

allyl isothiocyanate: used in the manufacture of flavors, war gases; medical use as a counterirritant; structure
alkenyl isothiocyanate;
isothiocyanate
antimicrobial agent;
antineoplastic agent;
apoptosis inducer;
lachrymator;
metabolite
cetrimonium bromidecetyltrimethylammonium bromide : The organic bromide salt that is the bromide salt of cetyltrimethylammonium; one of the components of the topical antiseptic cetrimide.organic bromide salt;
quaternary ammonium salt
detergent;
surfactant
ethinyl estradiol17alpha-ethynylestradiol : A 3-hydroxy steroid that is estradiol substituted by a ethynyl group at position 17. It is a xenoestrogen synthesized from estradiol and has been shown to exhibit high estrogenic potency on oral administration.

Ethinyl Estradiol: A semisynthetic alkylated ESTRADIOL with a 17-alpha-ethinyl substitution. It has high estrogenic potency when administered orally, and is often used as the estrogenic component in ORAL CONTRACEPTIVES.
17-hydroxy steroid;
3-hydroxy steroid;
terminal acetylenic compound
xenoestrogen
apomorphineApomorphine: A derivative of morphine that is a dopamine D2 agonist. It is a powerful emetic and has been used for that effect in acute poisoning. It has also been used in the diagnosis and treatment of parkinsonism, but its adverse effects limit its use.aporphine alkaloidalpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug
adenosine diphosphateAdenosine Diphosphate: Adenosine 5'-(trihydrogen diphosphate). An adenine nucleotide containing two phosphate groups esterified to the sugar moiety at the 5'-position.adenosine 5'-phosphate;
purine ribonucleoside 5'-diphosphate
fundamental metabolite;
human metabolite
uridine diphosphateUridine Diphosphate: A uracil nucleotide containing a pyrophosphate group esterified to C5 of the sugar moiety.pyrimidine ribonucleoside 5'-diphosphate;
uridine 5'-phosphate
Escherichia coli metabolite;
mouse metabolite
acetylcholine chlorideacetylcholine chloride : The chloride salt of acetylcholine, and a parasympatomimetic drug.quaternary ammonium salt
mepazinemepazine: major descriptor (66-85); on-line search PHENOTHIAZINES (66-85); Index Medicus search MEPAZINE (66-85); RN given refers to parent cpd

pacatal : A phenothiazine derivative in which 10H-phenothiazine has an N-methylpiperidin-4-ylmethyl substituent at the N-10 position.
phenothiazines
adenosine monophosphateAdenosine Monophosphate: Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position.adenosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate
adenosine A1 receptor agonist;
cofactor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
EC 3.1.3.11 (fructose-bisphosphatase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical
n-methyltryptamineN-methyltryptamine: RN given refers to parent cpdtryptamine alkaloid;
tryptamines
metabolite
n,n-dimethyltryptamineN,N-dimethyltryptamine : A tryptamine derivative having two N-methyl substituents on the side-chain.

N,N-Dimethyltryptamine: An N-methylated indoleamine derivative and serotonergic hallucinogen which occurs naturally and ubiquitously in several plant species including Psychotria veridis. It also occurs in trace amounts in mammalian brain, blood, and urine, and is known to act as an agonist or antagonist of certain SEROTONIN RECEPTORS.
tryptamine alkaloid;
tryptamines
uridine triphosphateUridine Triphosphate: Uridine 5'-(tetrahydrogen triphosphate). A uracil nucleotide containing three phosphate groups esterified to the sugar moiety.pyrimidine ribonucleoside 5'-triphosphate;
uridine 5'-phosphate
Escherichia coli metabolite;
mouse metabolite
gallamine triethiodideGallamine Triethiodide: A synthetic nondepolarizing blocking drug. The actions of gallamine triethiodide are similar to those of TUBOCURARINE, but this agent blocks the cardiac vagus and may cause sinus tachycardia and, occasionally, hypertension and increased cardiac output. It should be used cautiously in patients at risk from increased heart rate but may be preferred for patients with bradycardia. (From AMA Drug Evaluations Annual, 1992, p198)
norethindroneNorethindrone: A synthetic progestational hormone with actions similar to those of PROGESTERONE but functioning as a more potent inhibitor of ovulation. It has weak estrogenic and androgenic properties. The hormone has been used in treating amenorrhea, functional uterine bleeding, endometriosis, and for CONTRACEPTION.

norethisterone : A 17beta-hydroxy steroid that is testosterone in which the hydrogen at position 17 is replaced by an ethynyl group and in which the methyl group attached to position 10 is replaced by hydrogen.
17beta-hydroxy steroid;
3-oxo-Delta(4) steroid;
terminal acetylenic compound;
tertiary alcohol
progestin;
synthetic oral contraceptive
17-alpha-hydroxyprogesterone17alpha-hydroxyprogesterone : A 17alpha-hydroxy steroid that is the 17alpha-hydroxy derivative of progesterone.17alpha-hydroxy steroid;
17alpha-hydroxy-C21-steroid;
tertiary alpha-hydroxy ketone
human metabolite;
metabolite;
mouse metabolite;
progestin
quinacrine monohydrochloride
chlorpromazine hydrochloridehydrochloride;
phenothiazines
anticoronaviral agent;
phenothiazine antipsychotic drug
mestranol17beta-hydroxy steroid;
aromatic ether;
terminal acetylenic compound
prodrug;
xenoestrogen
tetramethylammoniumtetramethylammonium : The simplest quaternary ammonium cation, comprising a central nitrogen linked to four methyl groups.

tetramethylammonium: RN given refers to parent cpd
quaternary ammonium ion
trichloroacetic acidtrichloroacetic acid : A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine.

Trichloroacetic Acid: A strong acid used as a protein precipitant in clinical chemistry and also as a caustic for removing warts.
monocarboxylic acid;
organochlorine compound
carcinogenic agent;
metabolite;
mouse metabolite
mepenzolate bromidediarylmethane
phencyclidinephencyclidine : A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group. Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects.

Phencyclidine: A hallucinogen formerly used as a veterinary anesthetic, and briefly as a general anesthetic for humans. Phencyclidine is similar to KETAMINE in structure and in many of its effects. Like ketamine, it can produce a dissociative state. It exerts its pharmacological action through inhibition of NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE). As a drug of abuse, it is known as PCP and Angel Dust.
benzenes;
piperidines
anaesthetic;
neurotoxin;
NMDA receptor antagonist;
psychotropic drug
linaloollinalool : A monoterpenoid that is octa-1,6-diene substituted by methyl groups at positions 3 and 7 and a hydroxy group at position 3. It has been isolated from plants like Ocimum canum.

linalool: RN given refers to parent cpd without isomeric designation; structure
monoterpenoid;
tertiary alcohol
antimicrobial agent;
fragrance;
plant metabolite;
volatile oil component
isopreneisoprene : A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds.

isoprene: used in manufacture of ''synthetic'' rubber, butyl rubber; copolymer in production of elastomers; structure
alkadiene;
hemiterpene;
volatile organic compound
plant metabolite
bisphenol a4,4'-isopropylidene diphenol: stimulates proliferative responses and cytokine productions of murine spleen cells and thymus cells in vitro

bisphenol : By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom.

bisphenol A : A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups.
bisphenolendocrine disruptor;
environmental contaminant;
xenobiotic;
xenoestrogen
1-aminoanthraquinone
cyclizinecyclizine : An N-alkylpiperazine in which one nitrogen of the piperazine ring is substituted by a methyl group, while the other is substituted by a diphenylmethyl group.

Cyclizine: A histamine H1 antagonist given by mouth or parenterally for the control of postoperative and drug-induced vomiting and in motion sickness. (From Martindale, The Extra Pharmacopoeia, 30th ed, p935)
N-alkylpiperazineantiemetic;
central nervous system depressant;
cholinergic antagonist;
H1-receptor antagonist;
local anaesthetic
quinophthalonequinoline yellow : A quinoline derivative with a 1,3-dioxoindan-2-yl substituent at C-2.

quinophthalone: found in hair preparations; causes contact dermatitis
aromatic ketone;
beta-diketone;
quinolines
dye
salicylanilidesalicylanilide : An amide of salicylic acid and of aniline; it is therefore both a salicylamide and an anilide.

salicylanilide: RN given refers to parent cpd
benzanilide fungicide;
salicylamides;
salicylanilides
1-naphthylphenylamineN-phenyl-1-naphthylamine: RN given refers to 1-naphthylamine cpd; structurenaphthalenes
6-phenyl-1,3,5-triazine-2,4-diamine6-phenyl-1,3,5-triazine-2,4-diamine: structure in first source
phenyltoloxaminephenyltoloxamine: RN given refers to parent cpd; structurediarylmethane
phenylpiperazinephenylpiperazine: RN given refers to parent cpd
phenothiazine10H-phenothiazine : The 10H-tautomer of phenothiazine.phenothiazineferroptosis inhibitor;
plant metabolite;
radical scavenger
benzidinebenzidine : A member of the class of biphenyls that is 1,1'-biphenyl in which the hydrogen at the para-position of each phenyl group has been replaced by an amino group.

benzidine: RN given refers to parent cpd
biphenyls;
substituted aniline
carcinogenic agent
mecoprop2-(4-chloro-2-methylphenoxy)propanoic acid : A monocarboxylic acid that is lactic acid in which the hydroxyl hydrogen is replaced by a 4-chloro-2-methylphenyl group.

mecoprop : A racemate comprising equimolar amounts of (R)- and (S)-mecoprop.

mecoprop: RN given refers to cpd without isomeric designation; structure
aromatic ether;
monocarboxylic acid;
monochlorobenzenes
carveolcarveol : A limonene monoterpenoid that is cyclohex-2-en-1-ol substituted by a methyl group at position 2 and a prop-1-en-2-yl group at position 5.

carveol: structure given in first source; prolongs tumor latency and decreases tumor yield
limonene monoterpenoidplant metabolite;
volatile oil component
terephthalic acidterephthalic acid : A benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids.

terephthalic acid: RN given refers to 1,4-benzenedicarboxylic acid
benzenedicarboxylic acid
ethylbenzenealkylbenzene
3-hydroxydiphenylaminesubstituted aniline
1,3-diphenylurea1,3-diphenylurea : A member of the class of phenylureas that is urea in which one of the hydrogens of each amino group is replaced by a phenyl group. It is present in coconut milk (Cocos nucifera).phenylureascytokinin;
plant metabolite
2,4-dimethylphenol2,4-dimethylphenol: RN given refers to parent cpd

2,4-xylenol : A member of the class of phenols that phenol substituted by methyl groups at positions 2 and 4.
aromatic fungicide;
phenols
disinfectant;
volatile oil component
diethylaminesecondary aliphatic amine
tetraethylenepentaminepolyazaalkanecopper chelator
ergotamineergotamine : A peptide ergot alkaloid that is dihydroergotamine in which a double bond replaces the single bond between positions 9 and 10.

Ergotamine: A vasoconstrictor found in ergot of Central Europe. It is a serotonin agonist that has been used as an oxytocic agent and in the treatment of MIGRAINE DISORDERS.
peptide ergot alkaloidalpha-adrenergic agonist;
mycotoxin;
non-narcotic analgesic;
oxytocic;
serotonergic agonist;
vasoconstrictor agent
methylergonovineMethylergonovine: A homolog of ERGONOVINE containing one more CH2 group. (Merck Index, 11th ed)ergoline alkaloid
etryptamineetryptamine: RN given refers to cpd without isomeric designationindoles
chloranilChloranil: A quinone fungicide used for treatment of seeds and foliage.

tetrachloro-1,4-benzoquinone : A member of the class of 1,4-benzoquiones that is 1,4-benzoquinone in which all four hydrogens are substituted by chlorines.
1,4-benzoquinones;
organochlorine compound
EC 2.7.1.33 (pantothenate kinase) inhibitor;
metabolite
dibenzothiazyl disulfidedibenzothiazol-2-yl disulfide : An organic disulfide resulting from the formal oxidative coupling of the thiol groups of two molecules of 1,3-benzothiazole-2-thiol. It is used as an accelerator in the rubber industry.

dibenzothiazyl disulfide: vulcanizing accelerant
benzothiazoles;
organic disulfide
allergen
benzethonium chloridebenzethonium chloride : A (synthetic) quaternary ammonium salt that is benzyldimethylamine in which the nitrogen is quaternised by a 2-{2-[p-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl group, with chloride as the counter-ion. An antiseptic and disinfectant, it is active against a broad spectrum of bacteria, fungi, moulds and viruses.aromatic ether;
chloride salt;
quaternary ammonium salt
antibacterial agent;
antifungal agent;
antiseptic drug;
antiviral agent;
disinfectant
3-nitrobenzoic acid3-nitrobenzoic acid: RN given refers to parent cpd
suramin sodiumsuramin sodium : An organic sodium salt that is the hexasodium salt of suramin. It is an FDA approved drug for African sleeping sickness and river blindness.organic sodium saltangiogenesis inhibitor;
antinematodal drug;
antineoplastic agent;
apoptosis inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
GABA antagonist;
GABA-gated chloride channel antagonist;
purinergic receptor P2 antagonist;
ryanodine receptor agonist;
trypanocidal drug
di-n-pentyl phthalatedipentyl phthalate : A phthalate ester that is the dipentyl ester of benzene-1,2-dicarboxylic acid.diester;
phthalate ester
plasticiser
estragoleestragole : A phenylpropanoid that is chavicol in which the hydroxy group is replaced by a methoxy group.alkenylbenzene;
monomethoxybenzene;
phenylpropanoid
carcinogenic agent;
flavouring agent;
genotoxin;
insect attractant;
plant metabolite
sterogenolcetylpyridinium bromide : A pyridinium salt that has N-hexadecylpyridinium as the cation and bromide as the anion.

hexadecylpyridinium bromide: structure in first source
bromide salt;
pyridinium salt
antiseptic drug;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
surfactant
citronellolcitronellol : A monoterpenoid that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7.

citronellol: alcohol form of citronellal; found in rose oil; RN given refers to parent cpd without isomeric designation; structure

insect repellent : An insecticide that acts as a repellent to insects.
monoterpenoidplant metabolite
yohimbineyohimbine : An indole alkaloid with alpha2-adrenoceptor antagonist activity. It is produced by Corynanthe johimbe and Rauwolfia serpentina.

Yohimbine: A plant alkaloid with alpha-2-adrenergic blocking activity. Yohimbine has been used as a mydriatic and in the treatment of ERECTILE DYSFUNCTION.
methyl 17-hydroxy-20xi-yohimban-16-carboxylatealpha-adrenergic antagonist;
dopamine receptor D2 antagonist;
serotonergic antagonist
2-chloroadenosine5-chloroformycin A: structure given in first sourcepurine nucleoside
citronellyl acetatecitronellol acetate : A monoterpenoid that is the acetate ester of citronellol. It has been isolated from Citrus hystrix.

citronellyl acetate: RN given refers to cpd without isomeric designation
acetate ester;
monoterpenoid
plant metabolite
catechin(+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite.

catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.

Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.

rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin
catechinantioxidant;
plant metabolite
benzo(k)fluoranthenenaphthalenes
indopanalpha-methyltryptamine : A tryptamine derivative having a methyl substituent at the alpha-position.

indopan: RN given refers to parent cpd without isomeric designation
tryptamines
muscarineMuscarine: A toxic alkaloid found in Amanita muscaria (fly fungus) and other fungi of the Inocybe species. It is the first parasympathomimetic substance ever studied and causes profound parasympathetic activation that may end in convulsions and death. The specific antidote is atropine.monosaccharide
2h-benzo(a)quinolizin-2-ol, 2-ethyl-1,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-2H-Benzo(a)quinolizin-2-ol, 2-Ethyl-1,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-: Proposed catecholamine depletor.
hydralazine hydrochloridehydralazine hydrochloride : The hydrochloride salt of hydralazine; a direct-acting vasodilator that is used as an antihypertensive agent.hydrochlorideantihypertensive agent;
vasodilator agent
dibenzepindibenzepin: was heading 1975-94 (see under DIBENZAZEPINES 1975-90); use DIBENZAZEPINES to search DIBENZEPIN 1975-94; tricyclic antidepressant similar in action to imipraminedibenzodiazepine
azacitidine5-azacytidine : An N-glycosyl-1,3,5-triazine that is 4-amino-1,3,5-triazin-2(1H)-one substituted by a beta-D-ribofuranosyl residue via an N-glycosidic linkage. An antineoplastic agent, it is used in the treatment of myeloid leukaemia.

Azacitidine: A pyrimidine analogue that inhibits DNA methyltransferase, impairing DNA methylation. It is also an antimetabolite of cytidine, incorporated primarily into RNA. Azacytidine has been used as an antineoplastic agent.
N-glycosyl-1,3,5-triazine;
nucleoside analogue
antineoplastic agent
methysergidemethysergide : A synthetic ergot alkaloid, structurally related to the oxytocic agent methylergonovine and to the potent hallucinogen LSD and used prophylactically to reduce the frequency and intensity of severe vascular headaches.

Methysergide: An ergot derivative that is a congener of LYSERGIC ACID DIETHYLAMIDE. It antagonizes the effects of serotonin in blood vessels and gastrointestinal smooth muscle, but has few of the properties of other ergot alkaloids. Methysergide is used prophylactically in migraine and other vascular headaches and to antagonize serotonin in the carcinoid syndrome.
ergoline alkaloid
normethadonenormethadone: RN given refers to parent cpddiarylmethane
nuciferinenuciferine: CNS depressant; glutamic acid antagonist; RN given refers to (R)-isomer; structure
boldineaporphine alkaloid
plumbaginplumbagin : A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively.

plumbagin: a superoxide anion generator
hydroxy-1,4-naphthoquinone;
phenols
anticoagulant;
antineoplastic agent;
immunological adjuvant;
metabolite
cytisinealkaloid;
bridged compound;
lactam;
organic heterotricyclic compound;
secondary amino compound
nicotinic acetylcholine receptor agonist;
phytotoxin;
plant metabolite
bicucullinebicuculline : A benzylisoquinoline alkaloid that is 6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline which is substituted at the 5-pro-S position by a (6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl group. A light-sensitive competitive antagonist of GABAA receptors. It was originally identified in 1932 in plant alkaloid extracts and has been isolated from Dicentra cucullaria, Adlumia fungosa, Fumariaceae, and several Corydalis species.

Bicuculline: An isoquinoline alkaloid obtained from Dicentra cucullaria and other plants. It is a competitive antagonist for GABA-A receptors.
benzylisoquinoline alkaloid;
isoquinoline alkaloid;
isoquinolines
agrochemical;
central nervous system stimulant;
GABA-gated chloride channel antagonist;
GABAA receptor antagonist;
neurotoxin
kainic acidKainic Acid: (2S-(2 alpha,3 beta,4 beta))-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid. Ascaricide obtained from the red alga Digenea simplex. It is a potent excitatory amino acid agonist at some types of excitatory amino acid receptors and has been used to discriminate among receptor types. Like many excitatory amino acid agonists it can cause neurotoxicity and has been used experimentally for that purpose.dicarboxylic acid;
L-proline derivative;
non-proteinogenic L-alpha-amino acid;
pyrrolidinecarboxylic acid
antinematodal drug;
excitatory amino acid agonist
bufoteninbufotenin : A tertiary amine that consists of N,N-dimethyltryptamine bearing an additional hydroxy substituent at position 5.

Bufotenin: A hallucinogenic serotonin analog found in frog or toad skins, mushrooms, higher plants, and mammals, especially in the brains, plasma, and urine of schizophrenics. Bufotenin has been used as a tool in CNS studies and misused as a psychedelic.
tertiary amine;
tryptamine alkaloid
coral metabolite;
hallucinogen
dihydroergotaminedihydroergotamine : Ergotamine in which a single bond replaces the double bond between positions 9 and 10. A semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine, it is used (as the methanesulfonic or tartaric acid salts) for the treatment of migraine and orthostatic hypotension.

Dihydroergotamine: A 9,10alpha-dihydro derivative of ERGOTAMINE. It is used as a vasoconstrictor, specifically for the therapy of MIGRAINE DISORDERS.
ergot alkaloid;
semisynthetic derivative
dopamine agonist;
non-narcotic analgesic;
serotonergic agonist;
sympatholytic agent;
vasoconstrictor agent
hematoxylinHematoxylin: A dye obtained from the heartwood of logwood (Haematoxylon campechianum Linn., Leguminosae) used as a stain in microscopy and in the manufacture of ink.organic heterotetracyclic compound;
oxacycle;
polyphenol;
tertiary alcohol
histological dye;
plant metabolite
psilocybinpsilocybin : A tryptamine alkaloid that is N,N-dimethyltryptamine carrying an additional phosphoryloxy substituent at position 4. The major hallucinogenic alkaloid isolated from Psilocybe mushrooms (also known as Teonanacatl or "magic mushrooms").

Psilocybin: The major of two hallucinogenic components of Teonanacatl, the sacred mushroom of Mexico, the other component being psilocin. (From Merck Index, 11th ed)
organic phosphate;
tertiary amino compound;
tryptamine alkaloid
fungal metabolite;
hallucinogen;
prodrug;
serotonergic agonist
dequalinium chloridedequalinium chloride : An organic chloride salt that is the dichloride salt of dequalinium.organic chloride saltantifungal agent;
antineoplastic agent;
antiseptic drug;
mitochondrial NADH:ubiquinone reductase inhibitor
dimenhydrinategravinol: has antioxidant and ant-inflammatory activities; structure in first sourcediarylmethane
flavoneflavone : The simplest member of the class of flavones that consists of 4H-chromen-4-one bearing a phenyl substituent at position 2.

flavone: RN given refers to unlabeled cpd; structure given in first source
flavonesmetabolite;
nematicide
2-methylfuran2-methylfuran : A member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a methyl group.furans;
volatile organic compound
flavouring agent;
fuel;
hepatotoxic agent;
human urinary metabolite;
plant metabolite
amanozinediamino-1,3,5-triazine
methamphetaminemethamphetamine : A member of the class of amphetamines in which the amino group of (S)-amphetamine carries a methyl substituent.

Methamphetamine: A central nervous system stimulant and sympathomimetic with actions and uses similar to DEXTROAMPHETAMINE. The smokable form is a drug of abuse and is referred to as crank, crystal, crystal meth, ice, and speed.
amphetamines;
secondary amine
central nervous system stimulant;
environmental contaminant;
neurotoxin;
psychotropic drug;
xenobiotic
gentian violetcrystal violet : An organic chloride salt that is the monochloride salt of crystal violet cation. It has been used in creams for the topical treatment of bacterial and fungal infections, being effective against some Gram-positive bacteria (notably Staphylococcus species) and some pathogenic fungi (including Candida species) but use declined following reports of animal carcinogenicity. It has also been used for dying wood, silk, and paper, as well as a histological stain.

Gentian Violet: A dye that is a mixture of violet rosanilinis with antibacterial, antifungal, and anthelmintic properties.
organic chloride saltanthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye
1-naphthylisothiocyanate1-Naphthylisothiocyanate: A tool for the study of liver damage which causes bile stasis and hyperbilirubinemia acutely and bile duct hyperplasia and biliary cirrhosis chronically, with changes in hepatocyte function. It may cause skin and kidney damage.isothiocyanateinsecticide
eriodictyolflavanones
glycylglycinedipeptide;
dipeptide zwitterion
human metabolite
3-hydroxyflavone3-hydroxyflavone: structure given in first source

flavonol : A monohydroxyflavone that is the 3-hydroxy derivative of flavone.
flavonols;
monohydroxyflavone
6-aminoquinoline
anatabineanatabine: alkaloid found in tobacco; structurebipyridines
3-tyramine3-tyramine: MH Tyramine refers to 4-tyramine; RN given refers to parent cpd

m-tyramine : A primary amino compound that is 2-phenylethanamine substituted by a hydroxy group at position 3.
primary amino compound;
tyramines
human urinary metabolite;
neurotransmitter
glycopyrrolateGlycopyrrolate: A muscarinic antagonist used as an antispasmodic, in some disorders of the gastrointestinal tract, and to reduce salivation with some anesthetics.

glycopyrronium bromide : A quaternary ammonium salt composed of 3-{[cyclopentyl(hydroxy)phenylacetyl]oxy}-1,1-dimethylpyrrolidin-1-ium and bromide ions in a 1:1 ratio.
organic bromide salt;
quaternary ammonium salt
alpha-naphthoflavonealpha-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the h side of flavone. A synthetic compound, it is an inhibitor of aromatase (EC 1.14.14.14).

alpha-naphthoflavone: inhibits P4501A1 and P4501A2; stimulates some activities of P4503A4
extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound
aryl hydrocarbon receptor agonist;
aryl hydrocarbon receptor antagonist;
EC 1.14.14.14 (aromatase) inhibitor
2,3-dichloro-1-propanol
3,5-dichloroanilinedichloroaniline
5-fluoro-alpha-methyltryptamine5-fluoro-alpha-methyltryptamine: RN given refers to parent cpd
diphenoxylatediphenoxylate : A piperidinecarboxylate ester that is the ethyl ester of difenoxin.

Diphenoxylate: A MEPERIDINE congener used as an antidiarrheal, usually in combination with ATROPINE. At high doses, it acts like morphine. Its unesterified metabolite difenoxin has similar properties and is used similarly. It has little or no analgesic activity.
ethyl ester;
nitrile;
piperidinecarboxylate ester;
tertiary amine
antidiarrhoeal drug
3-methoxycatechol3-methoxycatechol : A member of the class of catechols that is catechol in which a hydrogen that is ortho to one of the hydroxy groups has been replaced by a methoxy group. It displays agonistic activity against G protein-coupled receptor 35 (GPR35).aromatic ether;
catechols
G-protein-coupled receptor agonist
ethylestrenolethylestrenol : A 17beta-hydroxy steroid that is estrane containing a double bond between positions 4 and 5 and substituted by an ethyl group and a hydroxy group at the 17alpha and 17beta positions, respectively. It is an anabolic steroid that has little androgenic effect and only slight progestational activity. It has been used to promote growth in boys with delayed bone growth.

Ethylestrenol: An anabolic steroid with some progestational activity and little androgenic effect.
17beta-hydroxy steroid;
tertiary alcohol
anabolic agent
4-amino-3-phenylbutyric acid4-amino-3-phenylbutyric acid: phenyl deriv of GABA; RN given refers to cpd without isomeric designation; structureorganonitrogen compound;
organooxygen compound
pyrovaleronepyrovalerone: RN given refers to parent cpd; synonyms F 1983 & Centroton refer to HCl; structurearomatic ketone
ethidium bromideorganic bromide saltgeroprotector;
intercalator;
trypanocidal drug
azaperoneazaperone : An N-arylpiperazine that is 2-(piperazin-1-yl)pyridine in which the amino hydrogen is replaced by a 3-(4-fluobenzoyl)propyl group. Used mainly as a tranquiliser for pigs and elephants.

Azaperone: A butyrophenone used in the treatment of PSYCHOSES.
aminopyridine;
aromatic ketone;
monofluorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
tertiary amino compound
antipsychotic agent;
dopaminergic antagonist
laudanosinelaudanosine: opium alkaloidisoquinolines
4-octylphenol4-octylphenol : A member of the class of phenols that is phenol which is substituted at the para- position by an octyl group.

4-octylphenol: xenoestrogen
phenolsmetabolite;
surfactant;
xenoestrogen
5-methyltryptamine5-methyltryptamine: RN given refers to parent cpdtryptamines
tetrachloroisophthalonitrilechlorothalonil : A dinitrile that is benzene-1,3-dicarbonitrile substituted by four chloro groups. A non-systemic fungicide first introduced in the 1960s, it is used to control a range of diseases in a wide variety of crops.

tetrachloroisophthalonitrile: structure
aromatic fungicide;
dinitrile;
tetrachlorobenzene
antifungal agrochemical
5-hydroxyindolehydroxyindoleshuman metabolite
dronabinolDelta(9)-tetrahydrocannabinol : A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. The principal psychoactive constituent of the cannabis plant, it is used for treatment of anorexia associated with AIDS as well as nausea and vomiting associated with cancer chemotherapy.

Dronabinol: A psychoactive compound extracted from the resin of Cannabis sativa (marihuana, hashish). The isomer delta-9-tetrahydrocannabinol (THC) is considered the most active form, producing characteristic mood and perceptual changes associated with this compound.
benzochromene;
diterpenoid;
phytocannabinoid;
polyketide
cannabinoid receptor agonist;
epitope;
hallucinogen;
metabolite;
non-narcotic analgesic
11-(4-methyl-1-piperazinyl)-5h-dibenzo(b,e)(1,4)diazepine11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine: structure given in first source
2-chloro-11-(4-methyl-1-piperazinyl)-5h-dibenzo(b,e)(1,4)diazepine2-chloro-11-(4-methyl-1-piperazinyl)-5H-dibenzo(b,e)(1,4)diazepine: structure given in first source
phenylguanidinephenylguanidine: RN given refers to parent cpd
amilorideamiloride : A member of the class of pyrazines resulting from the formal monoacylation of guanidine with the carboxy group of 3,5-diamino-6-chloropyrazine-2-carboxylic acid.

Amiloride: A pyrazine compound inhibiting SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS. This inhibition creates a negative potential in the luminal membranes of principal cells, located in the distal convoluted tubule and collecting duct. Negative potential reduces secretion of potassium and hydrogen ions. Amiloride is used in conjunction with DIURETICS to spare POTASSIUM loss. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p705)
aromatic amine;
guanidines;
organochlorine compound;
pyrazines
diuretic;
sodium channel blocker
pimozidepimozide : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which one of the nitrogens is substituted by a piperidin-4-yl group, which in turn is substituted on the nitrogen by a 4,4-bis(p-fluorophenyl)butyl group.

Pimozide: A diphenylbutylpiperidine that is effective as an antipsychotic agent and as an alternative to HALOPERIDOL for the suppression of vocal and motor tics in patients with Tourette syndrome. Although the precise mechanism of action is unknown, blockade of postsynaptic dopamine receptors has been postulated. (From AMA Drug Evaluations Annual, 1994, p403)
benzimidazoles;
heteroarylpiperidine;
organofluorine compound
antidyskinesia agent;
dopaminergic antagonist;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
benperidolBenperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It has been used in the treatment of aberrant sexual behavior. (From Martindale, The Extra Pharmacopoeia, 30th ed, p567)aromatic ketone
fluometuronfluometuron : A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which one of the nitrogens is substituted by a 3-(trifluoromethyl)phenyl group while the other is substituted by two methyl groups. It is a herbicide used for the control of broadleaf weeds and annual grasses in cotton.

fluometuron: RN given refers to parent cpd; structure
(trifluoromethyl)benzenes;
3-(3,4-substituted-phenyl)-1,1-dimethylurea
agrochemical;
environmental contaminant;
herbicide;
photosystem-II inhibitor;
xenobiotic
n-methyllaurotetanineN-methyllaurotetanine: structure in first source
phenethyl isothiocyanatephenethyl isothiocyanate : An isothiocyanate having a phenethyl group attached to the nitrogen. It is a naturally occurring compound found in some cruciferous vegetables (e.g. watercress) and is known to possess anticancer properties.

phenethyl isothiocyanate: a dietary liver aldehyde dehydrogenase inhibitor; promotes urinary bladder carcinoma
isothiocyanateantineoplastic agent;
EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor;
metabolite
glaucineglaucine: RN given refers to (+-)-isomeraporphine alkaloid;
organic heterotetracyclic compound;
polyether;
tertiary amino compound
antibacterial agent;
antineoplastic agent;
antitussive;
muscle relaxant;
NF-kappaB inhibitor;
plant metabolite;
platelet aggregation inhibitor;
rat metabolite
muscarine
4-(octyloxy)benzoic acidbenzoic acids
chlordesmethyldiazepambenzodiazepine
6-aminonicotinic acid6-aminonicotinic acid : An aminonicotinic acid in which the amino group is situated at position 6 of the pyridine ring.

6-aminonicotinic acid: RN given refers to parent cpd
aminonicotinic acid;
aminopyridine;
aromatic amine
metabolite
anabaseineanabaseine: structure given in first sourcebipyridines
cyclazocineCyclazocine: An analgesic with mixed narcotic agonist-antagonist properties.
4-chlorophenylbiguanide
9-benzyladenine
cladribineorganochlorine compound;
purine 2'-deoxyribonucleoside
antineoplastic agent;
immunosuppressive agent
hyaluronoglucosaminidasekinetin riboside: preferentially induces apoptosis by modulating Bcl-2 family proteins and caspase-3 in cancer cells; structure in first sourcepurine nucleoside
dexpropranololpropranolol
canadine, (s)-isomer(S)-canadine : The (S)-enantiomer of canadine.an (S)-7,8,13,14-tetrahydroprotoberberine;
canadine
plant metabolite
diadenosine tetraphosphateP(1),P(4)-bis(5'-adenosyl) tetraphosphate : A diadenosyl tetraphosphate compound having the two 5'-adenosyl residues attached at the P(1)- and P(4)-positions.diadenosyl tetraphosphateEscherichia coli metabolite;
mouse metabolite
benzetimidepiperidines
dimethindeneDimethindene: A histamine H1 antagonist. It is used in hypersensitivity reactions, in rhinitis, for pruritus, and in some common cold remedies.indene
quinuclidinyl benzilate
3-deazaadenosine3-deazaadenosine: RN given refers to parent cpd.
arylid
camptothecinNSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first sourcedelta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol
antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite
diacereindiacerein: chelates with bivalent metals; a quinone which possesses redox properties; metabolized to active rhein; proposed mechanisms include inhibiting IL1 and metalloproteinases; called a slow acting symptomatic drug in osteoarthritis; no effect of cyclooxygenase;anthraquinone
7-methyltryptamine7-methyltryptamine: RN given refers to parent cpd
clemastineclemastine : 2-[(2R)-1-Methylpyrrolidin-2-yl]ethanol in which the hydrogen of the hydroxy group is substituted by a 1-(4-chlorophenyl)-1-phenylethyl group (R configuration). An antihistamine with antimuscarinic and moderate sedative properties, it is used as its fumarate salt for the symptomatic relief of allergic conditions such as rhinitis, urticaria, conjunctivitis and in pruritic (severe itching) skin conditions.

Clemastine: A histamine H1 antagonist used as the hydrogen fumarate in hay fever, rhinitis, allergic skin conditions, and pruritus. It causes drowsiness.
monochlorobenzenes;
N-alkylpyrrolidine
anti-allergic agent;
antipruritic drug;
H1-receptor antagonist;
muscarinic antagonist
pizotylinepizotifen : A benzocycloheptathiophene that is 9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene 4-ylidene)-1-methylpiperidine which is joined from the 4 position to the 4 position of an N-methylpiperidine moiety by a double bond. It is a sedating antihistamine, with strong serotonin antagonist and weak antimuscarinic activity. It is generally used as the malate salt for the treatment of migraine and the prevention of headache attacks during cluster periods.

Pizotyline: Serotonin antagonist used against MIGRAINE DISORDERS and vascular headaches.
benzocycloheptathiophenehistamine antagonist;
muscarinic antagonist;
serotonergic antagonist
2,3-dihydroxyquinoxaline2,3-dihydroxyquinoxaline: fluorescent oxalic acid deriv.
danazolDanazol: A synthetic steroid with antigonadotropic and anti-estrogenic activities that acts as an anterior pituitary suppressant by inhibiting the pituitary output of gonadotropins. It possesses some androgenic properties. Danazol has been used in the treatment of endometriosis and some benign breast disorders.17beta-hydroxy steroid;
terminal acetylenic compound
anti-estrogen;
estrogen antagonist;
geroprotector
metergolinemetergoline : An ergoline alkaloid that is the N-benzyloxycarbonyl derivative of lysergamine. A 5-HT2 antagonist. Also 5-HT1 antagonist and 5-HT1D ligand. Has moderate affinity for 5-HT6 and high affinity for 5-HT7.

Metergoline: A dopamine agonist and serotonin antagonist. It has been used similarly to BROMOCRIPTINE as a dopamine agonist and also for MIGRAINE DISORDERS therapy.
carbamate ester;
ergoline alkaloid
dopamine agonist;
geroprotector;
serotonergic antagonist
lisurideLisuride: An ergot derivative that acts as an agonist at dopamine D2 receptors (DOPAMINE AGONISTS). It may also act as an antagonist at dopamine D1 receptors, and as an agonist at some serotonin receptors (SEROTONIN RECEPTOR AGONISTS).monocarboxylic acid amideantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
serotonergic agonist
cannabichromene1-benzopyran
daunorubicinanthracycline : Anthracyclines are polyketides that have a tetrahydronaphthacenedione ring structure attached by a glycosidic linkage to the amino sugar daunosamine.

daunorubicin : A natural product found in Actinomadura roseola.

Daunorubicin: A very toxic anthracycline aminoglycoside antineoplastic isolated from Streptomyces peucetius and others, used in treatment of LEUKEMIA and other NEOPLASMS.
aminoglycoside antibiotic;
anthracycline;
p-quinones;
tetracenequinones
antineoplastic agent;
bacterial metabolite
2,4,5-trimethoxyphenylisopropylamine2,4,5-trimethoxyphenylisopropylamine: RN given refers to parent cpd; structure
bromocriptineBromocriptine: A semisynthetic ergotamine alkaloid that is a dopamine D2 agonist. It suppresses prolactin secretion.indole alkaloidantidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist
thymolphthaleinThymolphthalein: Used as a pH indicator and as a reagent for blood after decolorizing the alkaline solution by boiling with zinc dust.terpene lactone
pregnanolone3alpha-hydroxy-5beta-pregnan-20-one : The 3alpha-stereoisomer of 3-hydroxy-5beta-pregnan-20-one.

Pregnanolone: A pregnane found in the urine of pregnant women and sows. It has anesthetic, hypnotic, and sedative properties.
3-hydroxy-5beta-pregnan-20-one;
3alpha-hydroxy steroid
human metabolite;
intravenous anaesthetic;
sedative
1,4-diaminoanthraquinone
halazepamhalazepam: structureorganic molecular entity
4-methoxyamphetamine4-methoxyamphetamine: para-methoxy derivative to amphetamine with hallucinogenic properties; minor descriptor (75-86); on line & INDEX MEDICUS search AMPHETAMINES (75-86); RN given refers to parent compound without isomeric designation
dihydro-beta-erythroidinedihydro-beta-erythroidine : An organic heterotetracyclic compound resulting from the partial hydrogenation of the 1,3-diene moiety of beta-erythroidine to give the corresponding 2-ene.

Dihydro-beta-Erythroidine: Dihydro analog of beta-erythroidine, which is isolated from the seeds and other plant parts of Erythrina sp. Leguminosae. It is an alkaloid with curarimimetic properties.
delta-lactone;
organic heterotetracyclic compound;
tertiary amino compound
nicotinic antagonist
1-(3-chloro-5-benzo[b][1]benzoxepinyl)-4-methylpiperazineN-alkylpiperazine;
organic heterotricyclic compound
l-amphetamine(R)-amphetamine : A 1-phenylpropan-2-amine that has R configuration.1-phenylpropan-2-amine
glutamic acidglutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2.

Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.
glutamic acid;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid
Escherichia coli metabolite;
ferroptosis inducer;
micronutrient;
mouse metabolite;
neurotransmitter;
nutraceutical
dexchlorpheniraminedexchlorpheniramine: RN given refers to parent cpd(S)-isomerchlorphenamine
penfluridolPenfluridol: One of the long-acting ANTIPSYCHOTIC AGENTS used for maintenance or long-term therapy of SCHIZOPHRENIA and other PSYCHOTIC DISORDERS.diarylmethane
tramadol(R,R)-tramadol : A 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol in which both stereocentres have R-configuration; the (R,R)-enantiomer of the racemic opioid analgesic tramadol, it exhibits ten-fold higher analgesic potency than the (S,S)-enantiomer.

tramadol : A racemate consisting of equal amounts of (R,R)- and (S,S)-tramadol. A centrally acting synthetic opioid analgesic, used (as the hydrochloride salt) to treat moderately severe pain. The (R,R)-enantiomer exhibits ten-fold higher analgesic potency than the (S,S)-enantiomer. Originally developed by Gruenenthal GmbH and launched in 1977, it was subsequently isolated from the root bark of the South African tree Nauclea latifolia.

Tramadol: A narcotic analgesic proposed for severe pain. It may be habituating.
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanoladrenergic uptake inhibitor;
antitussive;
capsaicin receptor antagonist;
delta-opioid receptor agonist;
kappa-opioid receptor agonist;
metabolite;
mu-opioid receptor agonist;
muscarinic antagonist;
nicotinic antagonist;
NMDA receptor antagonist;
opioid analgesic;
serotonergic antagonist;
serotonin uptake inhibitor
paclitaxelTaxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL).taxane diterpenoid;
tetracyclic diterpenoid
antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
flazolone
dobutaminedobutamine : A catecholamine that is 4-(3-aminobutyl)phenol in which one of the hydrogens attached to the nitrogen is substituted by a 2-(3,4-dihydroxyphenyl)ethyl group. A beta1-adrenergic receptor agonist that has cardiac stimulant action without evoking vasoconstriction or tachycardia, it is used as the hydrochloride to increase the contractility of the heart in the management of acute heart failure.

Dobutamine: A catecholamine derivative with specificity for BETA-1 ADRENERGIC RECEPTORS. It is commonly used as a cardiotonic agent after CARDIAC SURGERY and during DOBUTAMINE STRESS ECHOCARDIOGRAPHY.
catecholamine;
secondary amine
beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent
5-methoxy-alpha-methyltryptamine5-methoxy-alpha-methyltryptamine: RN given refers to parent cpd without isomeric designationtryptamines
butaclamol(+)-butaclamol : An organic heteropentacyclic compound that is 2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[1,2,3-de]pyrido[2,1-a]isoquinoline substituted at position 3 by both hydroxy and tert-butyl groups.organic heteropentacyclic compound
butaclamolamino alcohol;
organic heteropentacyclic compound;
tertiary alcohol;
tertiary amino compound
dopaminergic antagonist
ribavirinRebetron: Rebetron is tradename1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide
anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
4-(4-chlorophenyl)-4-hydroxypiperidine4-(4'-chlorophenyl)-4-piperidinol: structure given in first source; N-dealkylated model of haloperidolpiperidines
bezafibratearomatic ether;
monocarboxylic acid;
monocarboxylic acid amide;
monochlorobenzenes
antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
diltiazemdiltiazem : A 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have S configuration. A calcium-channel blocker and vasodilator, it is used as the hydrochloride in the management of angina pectoris and hypertension.

Diltiazem: A benzothiazepine derivative with vasodilating action due to its antagonism of the actions of CALCIUM ion on membrane functions.
5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetateantihypertensive agent;
calcium channel blocker;
vasodilator agent
levobunolollevobunolol : A cyclic ketone that is 3,4-dihydronaphthalen-1-one substituted at position 5 by a 3-(tert-butylamino)-2-hydroxypropoxy group (the S-enantiomer). A non-selective beta-adrenergic antagonist used (as its hydrochloride salt) for treatment of glaucoma.

Levobunolol: The L-Isomer of bunolol.
aromatic ether;
cyclic ketone;
propanolamine
antiglaucoma drug;
beta-adrenergic antagonist
1-methyl-4-phenylpyridinium1-Methyl-4-phenylpyridinium: An active neurotoxic metabolite of 1-METHYL-4-PHENYL-1,2,3,6-TETRAHYDROPYRIDINE. The compound reduces dopamine levels, inhibits the biosynthesis of catecholamines, depletes cardiac norepinephrine and inactivates tyrosine hydroxylase. These and other toxic effects lead to cessation of oxidative phosphorylation, ATP depletion, and cell death. The compound, which is related to PARAQUAT, has also been used as an herbicide.

N-methyl-4-phenylpyridinium : A pyridinium ion that is N-methylpyridinium having a phenyl substituent at the 4-position.
pyridinium ionapoptosis inducer;
herbicide;
human xenobiotic metabolite;
neurotoxin
phenazepam
quisqualic acidQuisqualic Acid: An agonist at two subsets of excitatory amino acid receptors, ionotropic receptors that directly control membrane channels and metabotropic receptors that indirectly mediate calcium mobilization from intracellular stores. The compound is obtained from the seeds and fruit of Quisqualis chinensis.non-proteinogenic alpha-amino acid
mefloquine(-)-(11S,2'R)-erythro-mefloquine : An optically active form of [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol having (-)-(11S,2'R)-erythro-configuration. An antimalarial agent, used in racemic form, which acts as a blood schizonticide; its mechanism of action is unknown.[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanolantimalarial
oxfendazolebenzimidazoles;
carbamate ester;
sulfoxide
antinematodal drug
3,3',5,5'-tetramethylbenzidineT1023: radioprotective NO-Synthase Inhibitor
closantelclosantel : A racemate comprising equimolar amounts of (R)- and (S)-clostanel. An anthelmintic, it is used (as the dihydrate of the sodium salt) in veterinary medicine for the treatment of fluke and nematode infections.

closantel: structure

N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide : An aromatic amide resulting from the formal condensation of the carboxy group of 3,5-diiodosalicylic acid with the amino group of aniline substituted at positions 2, 4, and 5 by methyl, (4-chlorophenyl)(cyano)methyl, and methyl groups respectively.
aromatic amide;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile;
organoiodine compound;
phenols
paroxetineparoxetine : A benzodioxole that consists of piperidine bearing 1,3-benzodioxol-5-yloxy)methyl and 4-fluorophenyl substituents at positions 3 and 4 respectively; the (3S,4R)-diastereomer. Highly potent and selective 5-HT uptake inhibitor that binds with high affinity to the serotonin transporter (Ki = 0.05 nM). Ki values are 1.1, 350 and 1100 nM for inhibition of [3H]-5-HT, [3H]-l-NA and [3H]-DA uptake respectively. Displays minimal affinity for alpha1-, alpha2- or beta-adrenoceptors, 5-HT2A, 5-HT1A, D2 or H1 receptors at concentrations below 1000 nM, however displays weak affinity for muscarinic ACh receptors (Ki = 42 nM). Antidepressant and anxiolytic in vivo.

Paroxetine: A serotonin uptake inhibitor that is effective in the treatment of depression.
aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines
antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
triciribine phosphate
bopindolol1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate : A methylindole that is 2-methyl-1H-indol-4-ol in which the hydrogen of the hydroxy group is replaced by a 2-(benzoyloxy)-3-(tert-butylamino)propyl group.

bopindolol : A racemate comprising of equal amounts of (R)-bopindolol and (S)-bopindolol. It is a non-selective antagonist of beta1- and beta2-adrenoceptors and a prodrug in which the ester group is hydrolysed to form the corresponding hydroxy derivative.

bopindolol: RN given refers to cpd without isomeric designation
aromatic ether;
benzoate ester;
methylindole;
secondary amino compound
progabideprogabide: GABA agonist; structurediarylmethane
staurosporineindolocarbazole alkaloid;
organic heterooctacyclic compound
apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector
Arbaclofenorganonitrogen compound;
organooxygen compound
indalpineindalpine: selective 5-hydroxytryptamine uptake inhibitor; RN given refers to parent cpdindoles
pergolidepergolide : A diamine that is ergoline in which the beta-hydrogen at position 8 is replaced by a (methylthio)methyl group and the hydrogen attached to the piperidine nitrogen (position 6) is replaced by a propyl group. A dopamine D2 receptor agonist which also has D1 and D2 agonist properties, it is used as the mesylate salt in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction.

Pergolide: A long-acting dopamine agonist which has been used to treat PARKINSON DISEASE and HYPERPROLACTINEMIA but withdrawn from some markets due to potential for HEART VALVE DISEASES.
diamine;
methyl sulfide;
organic heterotetracyclic compound
antiparkinson drug;
dopamine agonist
bicifadinebicifadine: a nonopioid analgesic that modulates the monoaminergic pathways involved in pain
mitoxantrone hydrochloridehydrochlorideantineoplastic agent
haloperidol decanoateorganic molecular entity
lovastatinlovastatin : A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom).

Lovastatin: A fungal metabolite isolated from cultures of Aspergillus terreus. The compound is a potent anticholesteremic agent. It inhibits 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It also stimulates the production of low-density lipoprotein receptors in the liver.
delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)
anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
remoxiprideRemoxipride: An antipsychotic agent that is specific for dopamine D2 receptors. It has been shown to be effective in the treatment of schizophrenia.dimethoxybenzene
quinpirolequinpirole : A pyrazoloquinoline that is (4aR,8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[3,4-g]quinoline substituted by a propyl group at position 5. It acts as a dopamine agonist.

Quinpirole: A dopamine D2/D3 receptor agonist.
pyrazoloquinolinedopamine agonist
atomoxetineatomoxetine : A secondary amino compound having methyl and 3-(2-methylphenoxy)-3-phenylpropan-1-yl substituents.aromatic ether;
secondary amino compound;
toluenes
adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
xenobiotic
raloxifene hydrochlorideraloxifene hydrochloride : A hydrochloride salt resulting from the reaction of equimolar amounts of raloxifene and hydrogen chloride.

Raloxifene Hydrochloride: A second generation selective estrogen receptor modulator (SERM) used to prevent osteoporosis in postmenopausal women. It has estrogen agonist effects on bone and cholesterol metabolism but behaves as a complete estrogen antagonist on mammary gland and uterine tissue.
hydrochloridebone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
n-methyl-n-(1-methyl-4-pyrrolidino-2-butynyl)acetamideN-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamide: RN given refers to parent cpd without isomeric designationN-alkylpyrrolidine
gepironegepirone: RN given refers to parent cpd; structure given in first sourceN-arylpiperazine
mifepristoneMifepristone: A progestational and glucocorticoid hormone antagonist. Its inhibition of progesterone induces bleeding during the luteal phase and in early pregnancy by releasing endogenous prostaglandins from the endometrium or decidua. As a glucocorticoid receptor antagonist, the drug has been used to treat hypercortisolism in patients with nonpituitary CUSHING SYNDROME.3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound
abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive
spiradolinespiradoline: RN given refers to (5alpha,7alpha,8beta)-(+-)-isomer; structure given in first source
(S)-nomifensine(S)-nomifensine : The S enantiomer of nomifensine.nomifensine
salmeterol xinafoateSalmeterol Xinafoate: A selective ADRENERGIC BETA-2 RECEPTOR agonist that functions as a BRONCHODILATOR when administered by inhalation. It is used to manage the symptoms of ASTHMA and CHRONIC OBSTRUCTIVE PULMONARY DISEASE.naphthoic acid
ipsapironeN-arylpiperazine
quineloranequinelorane: LY 175887 is dextrorotary isomer; LY 137157 is a racemic mixturequinazolines
eticloprideeticlopride: blocks dopamine-D2 binding sites; structure given in first source; RN given refers to (S)-isomersalicylamides
imiquimodimiquimod : An imidazoquinoline fused [4,5-c] carrying isobutyl and amino substituents at N-1 and C-4 respectively. A prescription medication, it acts as an immune response modifier and is used to treat genital warts, superficial basal cell carcinoma, and actinic keratosis.

Imiquimod: A topically-applied aminoquinoline immune modulator that induces interferon production. It is used in the treatment of external genital and perianal warts, superficial CARCINOMA, BASAL CELL; and ACTINIC KERATOSIS.
imidazoquinolineantineoplastic agent;
interferon inducer
mk 458MK 458: a sustained release formulation of a naphthoxazine compoud with selective D-2 dopamine receptor agonism

naxagolide hydrochloride : The hydrochloride salt of naxagolide.
hydrochlorideanticonvulsant;
antiparkinson drug;
dopamine agonist
naxagolidenaxagolide : An organic heterotricyclic compound that is (4aR,10bR)-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazine substituted by propyl and hydroxy groups at positions 4 and 9, respectively. It is a potent dopamine D2-receptor agonist and its hydrochloride salt was under clinical development by Merck & Co as a potential antiparkinsonian agent (now discontinued).

naxagolide: structure given in first source
organic heterotricyclic compound;
phenols;
tertiary amino compound
anticonvulsant;
antiparkinson drug;
dopamine agonist
n 0437, (-)-isomerrotigotine: Antiparkinson Agent and dopamine receptor agonist; structure given in first source; RN given refers to cpd without isomeric designationtetralins
sertindolesertindole : A phenylindole that is 1H-indole which is substituted on the nitrogen by a p-chlorophenyl group, at position 5 by chlorine, and at position 3 by a piperidin-4-yl group, which is itself substituted on the nitrogen by a 2-(2-oxoimidazolidin-1-yl)ethyl group.heteroarylpiperidine;
imidazolidinone;
organochlorine compound;
organofluorine compound;
phenylindole
alpha-adrenergic antagonist;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic antagonist
adapaleneadapalene : A naphthoic acid that is CD437 in which the phenolic hydroxy group has been converted to its methyl ether.

Adapalene: A naphthalene derivative that has specificity for RETINOIC ACID RECEPTORS. It is used as a DERMATOLOGIC AGENT for the treatment of ACNE.
adamantanes;
monocarboxylic acid;
naphthoic acid
dermatologic drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
non-steroidal anti-inflammatory drug
niguldipinediarylmethane
clopidogrelclopidogrel : A thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group, the methylene hydrogen of which is replaced by a methoxycarbonyl group (the S enantiomer). A P2Y12 receptor antagonist, it is used to inhibit blood clots and prevent heart attacks.

Clopidogrel: A ticlopidine analog and platelet purinergic P2Y receptor antagonist that inhibits adenosine diphosphate-mediated PLATELET AGGREGATION. It is used to prevent THROMBOEMBOLISM in patients with ARTERIAL OCCLUSIVE DISEASES; MYOCARDIAL INFARCTION; STROKE; or ATRIAL FIBRILLATION.
methyl ester;
monochlorobenzenes;
thienopyridine
anticoagulant;
P2Y12 receptor antagonist;
platelet aggregation inhibitor
tiagabinetiagabine : A piperidinemonocarboxylic acid that is (R)-nipecotic acid in which the hydrogen attached to the nitrogen has been replaced by a 1,1-bis(3-methyl-2-thienyl)but-1-en-4-yl group. A GABA reuptake inhibitor, it is used (generally as the hydrochloride salt) for the treatment of epilepsy.

Tiagabine: A nipecotic acid derivative that acts as a GABA uptake inhibitor and anticonvulsant agent. It is used in the treatment of EPILEPSY, for refractory PARTIAL SEIZURES.
beta-amino acid;
piperidinemonocarboxylic acid;
tertiary amino compound;
thiophenes
anticonvulsant;
GABA reuptake inhibitor
mibefradilMibefradil: A benzimidazoyl-substituted tetraline that selectively binds and inhibits CALCIUM CHANNELS, T-TYPE.tetralinsT-type calcium channel blocker
eliprodil1-(4-chlorophenyl)-2-[4-(4-fluorobenzyl)piperidin-1-yl]ethanol : A member of the class of piperidines that is piperidine substituted by a 2-(4-chlorophenyl)-2-hydroxyethyl group at position 1 and by a 4-fluorobenzyl group at position 4.monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary alcohol;
tertiary amino compound
enadolineenadoline: kappa-opioid receptor agonist; RN given refers to cpd without isomeric designation; PD 129290 (CAM 570; CI 977) is the S,S(-)-enantiomer; PD 129289 (CAM 569) is the corresponding R,R(+)-enantiomer
fananserinfananserin: RN & structure given in first sourcenaphthalenes;
sulfonic acid derivative
aripiprazolearipiprazole : An N-arylpiperazine that is piperazine substituted by a 4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl group at position 1 and by a 2,3-dichlorophenyl group at position 4. It is an antipsychotic drug used for the treatment of Schizophrenia, and other mood disorders.

Aripiprazole: A piperazine and quinolone derivative that is used primarily as an antipsychotic agent. It is a partial agonist of SEROTONIN RECEPTOR, 5-HT1A and DOPAMINE D2 RECEPTORS, where it also functions as a post-synaptic antagonist, and an antagonist of SEROTONIN RECEPTOR, 5-HT2A. It is used for the treatment of SCHIZOPHRENIA and BIPOLAR DISORDER, and as an adjunct therapy for the treatment of depression.
aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone
drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist
xanomelinexanomeline: a cholinergic agonist; used in the treatment of Alzheimer's disease; structure given in first sourcetetrahydropyridine;
thiadiazoles
muscarinic agonist;
serotonergic agonist
duloxetineduloxetine
irinotecancarbamate 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
aptiganelaptiganel: NMDA receptor antagonist used to study the effects of stroke; structure given in first source; RN given refers to hydrochloridenaphthalenes
ziprasidoneziprasidone : A piperazine compound having 1,2-benzothiazol-3-yl- and 2-(6-chloro-1,3-dihydro-2-oxindol-5-yl)ethyl substituents attached to the nitrogen atoms.

ziprasidone: a benzisothiazoylpiperazine derivative; has combined dopamine and serotonin receptor antagonist activity; structurally related to tiospirone
1,2-benzisothiazole;
indolones;
organochlorine compound;
piperazines
antipsychotic agent;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
psychotropic drug;
serotonergic antagonist
tirofibantirofiban : A member of the class of piperidines that is L-tyrosine in which a hydrogen attached to the amino group is replaced by a butylsulfonyl group and in which the hydrogen attached to the phenolic hydroxy group is replaced by a 4-(piperidin-4-yl)butyl group.

Tirofiban: Tyrosine analog and PLATELET GLYCOPROTEIN GPIIB-IIIA COMPLEX antagonist that inhibits PLATELET AGGREGATION and is used in the treatment of ACUTE CORONARY SYNDROME.
L-tyrosine derivative;
piperidines;
sulfonamide
anticoagulant;
fibrin modulating drug;
platelet glycoprotein-IIb/IIIa receptor antagonist
xemilofibanxemilofiban: SC-54684A was administered as the hydrochloride salt; inhibits platelet glycoprotein GPIIB IIIA receptor; structure given in first source
adenosinequinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlitadenosines;
purines D-ribonucleoside
analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
2,5-dimethoxy-4-bromoamphetamine2,5-dimethoxy-4-bromoamphetamine: RN given refers to (alpha)-isomer; a serotonin agonist that interferes with Meth A tumor growth in mice by selective vasoconstrictive action
carfentanilcarfentanil : A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of methyl 4-anilino-1-(2-phenylethyl)piperidine-4-carboxylate with propanoic acid.methyl ester;
piperidines;
tertiary amino compound;
tertiary carboxamide
mu-opioid receptor agonist;
opioid analgesic;
tranquilizing drug
2,5-dimethoxyamphetamine2,5-dimethoxyamphetamine: RN given refers to parent cpd without isomeric designation
fluoxetine hydrochloridefluoxetine hydrochloride : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine hydrochloride. A selective serotonin reuptake inhibitor (SSRI), it is used for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder.hydrochloride;
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
paroxetine hydrochlorideparoxetine hydrochloride : The hydrochloride salt of paroxetine. It is an antidepressant drug.hydrochlorideantidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
venlafaxine hydrochlorideVenlafaxine Hydrochloride: A cyclohexanol and phenylethylamine derivative that functions as a SEROTONIN AND NORADRENALINE REUPTAKE INHIBITOR (SNRI) and is used as an ANTIDEPRESSIVE AGENT.hydrochloride
trovafloxacintrovafloxacin : A 1,8-naphthyridine derivative that is 4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid bearing additional 2,4-difluorophenyl, fluoro and 6-amino-3-azabicyclo[3.1.0]hex-3-yl substituents at positions 1, 6 and 7 respectively. A broad-spectrum antibiotic that was withdrawn from the market due to risk of liver failure.

trovafloxacin: a trifluoronaphthyridone derivative of 7-(3-azabicyclo(3.1.0)hexyl)naphthyridone; has antineoplastic activity
sertraline hydrochloridesertraline hydrochloride : A hydrochloride resulting from the reaction of equimolar amounts of sertraline and hydrogen chloride. A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder.hydrochlorideantidepressant;
serotonin uptake inhibitor
nelfinavirnelfinavir : An aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties.

Nelfinavir: A potent HIV protease inhibitor. It is used in combination with other antiviral drugs in the treatment of HIV in both adults and children.
aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound
antineoplastic agent;
HIV protease inhibitor
rolofyllinerolofylline: selective antagonist for adenosine receptors; a cardiovascular agentoxopurine
fenofibric acidfenofibric acid : A monocarboxylic acid that is 2-methylpropanoic acid substituted by a 4-(4-chlorobenzoyl)phenoxy group at position 2. It is a metabolite of the drug fenofibrate.

fenofibric acid: RN given refers to parent cpd without isomeric designation; structure
aromatic ketone;
chlorobenzophenone;
monocarboxylic acid
drug metabolite;
marine xenobiotic metabolite
norharmanbeta-carboline : The parent compound of the beta-carbolines, a tricyclic structure comprising an indole ring system ortho- fused to C-3 and C-4 of a pyridine ring.

norharman: RN given refers to parent cpd
beta-carbolines;
mancude organic heterotricyclic parent
fungal metabolite;
marine metabolite
baicalindihydroxyflavone;
glucosiduronic acid;
glycosyloxyflavone;
monosaccharide derivative
antiatherosclerotic agent;
antibacterial agent;
anticoronaviral agent;
antineoplastic agent;
antioxidant;
cardioprotective agent;
EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
ferroptosis inhibitor;
neuroprotective agent;
non-steroidal anti-inflammatory drug;
plant metabolite;
prodrug
allicinbotanical anti-fungal agent;
sulfoxide
antibacterial agent
isoguanosinepurine nucleoside
25-hydroxycholesterol25-hydroxy steroid;
oxysterol
human metabolite
salvinsalvin: a biocyclic diterpenoid; from sage and rosemary (Lamiaceae)abietane diterpenoid;
carbotricyclic compound;
catechols;
monocarboxylic acid
angiogenesis modulating agent;
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
food preservative;
HIV protease inhibitor;
plant metabolite
xanthyletinexanthyletine: structurecoumarins
dopamine hydrochlorideP 498: structure in first source; do not confuse with dopamine chloride, also known as P 498catecholamine
halopemidehalopemide: structure
sulconazole, mononitrate, (+-)-isomerconazole antifungal drug;
imidazole antifungal drug;
organic nitrate salt
tetraiodothyroacetic acid3,3',5,5'-tetraiodothyroacetic acid : A monocarboxylic acid that is thyroacetic acid carrying four iodo substituents at positions 3, 3', 5 and 5'.

tetraiodothyroacetic acid: RN given refers to parent cpd; structure
2-halophenol;
aromatic ether;
iodophenol;
monocarboxylic acid
apoptosis inducer;
human metabolite;
thyroid hormone
litoxetinelitoxetine: a serotonin uptake inhibitor
metrifudil
rutecarpinerutacarpine: from Evodia rutaecarpa; an ingredient in zhuyu hewei zhitong capsulesbeta-carbolines
milnacipranMilnacipran: A cyclopropanecarboxamide serotonin and norepinephrine reuptake inhibitor (SNRI) that is used in the treatment of FIBROMYALGIA.acetamides
esreboxetineesreboxetine: a norepinephrine reuptake inhibitoraromatic ether
abecarnil
lerisetron
telmisartantelmisartan : A member of the class of benzimidazoles used widely in the treatment of hypertension.

Telmisartan: A biphenyl compound and benzimidazole derivative that acts as an angiotensin II type 1 receptor antagonist. It is used in the management of HYPERTENSION.
benzimidazoles;
biphenyls;
carboxybiphenyl
angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
trihexyphenidyl hydrochloridearalkylamine
diphenidol hydrochloridediarylmethane
toxoflavintoxoflavin : A pyrimidotriazine that is 1,6-dimethyl-1,5,6,7-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7.

toxoflavin: azapteridine antibiotic; structure
carbonyl compound;
pyrimidotriazine
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
bacterial metabolite;
toxin;
virulence factor;
Wnt signalling inhibitor
n-(3-pyridylmethyl)pyrrolidineN-(3-pyridylmethyl)pyrrolidine: nicotine antagonist; RN given refers to parent cpd
khellinonekhellinone: a Kv1.3 potassium channel blocker
spiramidespiramide : An azaspiro compound that consists of 1,3,8-triazaspiro[4.5]decan-4-one having a phenyl group attached to N-1 and a 3-(4-fluorophenoxy)propyl attached to N-8. Selective 5-HT antagonist, which binds to 5-HT2 sites as potently as spiperone but has lower affinity for 5-HT2C receptors. Also a high affinity D2 receptor antagonist (Ki = 3 nM). Lacks the disruptive effect of spiperone on animal behaviour.

spiramide: RN given refers to parent cpd; structure
aromatic ether;
azaspiro compound;
organofluorine compound;
piperidines;
tertiary amino compound
dopaminergic antagonist;
serotonergic antagonist
2,6-dimethoxy-1,4-benzoquinone2,6-dimethoxy-1,4-benzoquinone: structure given in first source
nebularinenebularine : A purine ribonucleoside that is 9H-purine attached to a beta-D-ribofuranosyl residue at position 9 via a glycosidic (N-glycosyl) linkage.

nebularine: structure
purine ribonucleoside;
purines D-ribonucleoside
fungal metabolite
mianserin hydrochloridemianserin hydrochloride : The hydrochloride salt of mianserin, a tetracyclic compound with antidepressant effects.hydrochloridegeroprotector
miconazole nitratemiconazole nitrate : A racemate composed of equimolar amounts of (R)- and (S)-miconazole nitrate. An antifungal used for the treatment of athlete's foot, jock itch, ringworm and other fungal skin infections. It inhibits the synthesis of ergosterol, a critical component of fungal cell membranes.
sertralinesertraline : A member of the class of tetralins that is tetralin which is substituted at positions 1 and 4 by a methylamino and a 3,4-dichlorophenyl group, respectively (the S,S diastereoisomer). A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as the hydrochloride salt as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder.

Sertraline: A selective serotonin uptake inhibitor that is used in the treatment of depression.
dichlorobenzene;
secondary amino compound;
tetralins
antidepressant;
serotonin uptake inhibitor
oxiperomideoxiperomide: dopamine-blocking agent
mezilaminemezilamine: RN given refers to parent cpd; synonym O 6553 refers to HCl; structure
selfotelselfotel: a N-methyl-D-aspartate (NMDA) antagonist; used to treat stroke-induced impairmentnon-proteinogenic alpha-amino acid
budipinebudipine: RN given refers to parent cpd; structure in Negwer, 5th ed, #6541diarylmethane
esaprazoleesaprazole: RN given refers to parent cpd; structure in first source
plasmenylserineO-phospho-L-serine : The L-enantiomer of O-phosphoserine.

O-phosphoserine : A serine derivative that is serine substituted at the oxygen atom by a phosphono group.

plasmenylserine: RN given refers to (L)-isomer
O-phosphoserineEC 1.4.7.1 [glutamate synthase (ferredoxin)] inhibitor;
EC 2.5.1.49 (O-acetylhomoserine aminocarboxypropyltransferase) inhibitor;
EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
9-methyladenine9-methyladenine : Adenine substituted with a methyl group at position N-9.methyladeninemetabolite
4-phenylpiperidine
3-methylxanthine3-methyl-7H-xanthine : A 3-methylxanthine tautomer where the imidazole proton is located at the 7-position.

3-methyl-9H-xanthine : A 3-methylxanthine tautomer where the imidazole proton is located at the 9-position.
3-methylxanthinemetabolite
2,2',2''-terpyridine2,2',2''-terpyridine: RN given refers to parent cpd

2,2':6',2''-terpyridine : A tridentate heterocyclic ligand that binds metals at three meridional sites giving two adjacent 5-membered MN2C2 chelate rings.
terpyridineschelator
aprofenaprofen: RN given refers to parent cpd; structure
n-methylscopolamineN-Methylscopolamine: A muscarinic antagonist used to study binding characteristics of muscarinic cholinergic receptors.
nebivolol2,2'-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol] : A member of the class of chromanes that is 2,2'-iminodiethanol in which one hydrogen attached to each hydroxy-bearing carbon is replaced by a 6-fluorochroman-2-yl group.chromanes;
diol;
organofluorine compound;
secondary alcohol;
secondary amino compound
hp 873iloperidone : A member of the class of piperidines that is the 4-acetyl-2-methoxyphenyl ether of 3-(piperidin-1-yl)propan-1-ol which is substituted at position 4 of the piperidine ring by a 6-fluoro-1,2-benzoxazol-3-yl group. A member of the group of second generation antipsychotics (also known as an atypical antipsychotics), it is used for the treatment of schizophrenia.

iloperidone: an atypical, negative symptom antipsychotic agent
1,2-benzoxazoles;
aromatic ether;
aromatic ketone;
methyl ketone;
monoamine;
organofluorine compound;
piperidines;
tertiary amino compound
dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist
masoprocolmasoprocol : The meso-form of nordihydroguaiaretic acid. An antioxidant found in the creosote bush, Larrea divaricata, it is a potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. It also inhibits (though to a lesser extent) formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase.

Masoprocol: A potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. The compound also inhibits formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase to a lesser extent. It also serves as an antioxidant in fats and oils.
nordihydroguaiaretic acidantineoplastic agent;
hypoglycemic agent;
lipoxygenase inhibitor;
metabolite
loperamide hydrochlorideloperamide hydrochloride : A hydrochloride obtained by combining loperamide with one equivalent of hydrochloric acid. Used for treatment of diarrhoea resulting from gastroenteritis or inflammatory bowel disease.hydrochlorideanticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist
7-methyladenine7-methyladenine : Adenine substituted with a methyl group at position N-7.

7-methyladenine: potential marker for monitoring exposure to methylatingcarcinogens
methyladeninemetabolite
mdl 11939alpha-phenyl-1-(2-phenylethyl)-4-piperidinemethanol: class III antiarrythmic agent; structure given in first sourceprimary amine
gallocatechol(-)-epigallocatechin : A flavan-3,3',4',5,5',7-hexol having (2R,3R)-configuration.catechin;
flavan-3,3',4',5,5',7-hexol
antioxidant;
food component;
plant metabolite
hesperetin3'-hydroxyflavanones;
4'-methoxyflavanones;
monomethoxyflavanone;
trihydroxyflavanone
antineoplastic agent;
antioxidant;
plant metabolite
tetrahydropalmatinean (S)-7,8,13,14-tetrahydroprotoberberine;
berberine alkaloid;
organic heterotetracyclic compound
adrenergic agent;
dopaminergic antagonist;
non-narcotic analgesic
honokiolbiphenyls
picropodophyllinpicropodophyllin: isolated from American May apple (Podophyllum); inhibits IGF-I autophosphorylation without interfering with tyrosine kinase activity

picropodophyllotoxin : An organic heterotetracyclic compound that has a furonaphthodioxole skeleton bearing 3,4,5-trimethoxyphenyl and hydroxy substituents.
furonaphthodioxole;
lignan;
organic heterotetracyclic compound
antineoplastic agent;
insulin-like growth factor receptor 1 antagonist;
plant metabolite;
tyrosine kinase inhibitor
polygodialaldehyde
2-aminonicotinic acid2-aminonicotinic acid : An aminonicotinic acid in which the amino group is situated at position 2 of the pyridine ring.

2-aminonicotinic acid: structure in first source

aminonicotinic acid : An aromatic amino acid that is nicotinic acid in which one of the hydrogens attached to the pyridine ring is replaced by an amino group. A 'closed class'.
aminonicotinic acid;
aminopyridine
metabolite
9-(2,3-dihydroxypropyl)adenine, (s)-isomer
(-)-catechin(-)-catechin : The (-)-enantiomer of catechin.catechinmetabolite
voacaminealkaloid ester;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound
angiogenesis inhibitor;
antineoplastic agent;
plant metabolite
ergocornineergocornine : Ergotaman bearing a hydroxy group at the 12' position, isopropyl groups at the 2' and 5'alpha positions, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid.

ergocornine: a component of ergotoxine; minor descriptor (75-86); on-line & INDEX MEDICUS search ERGOLINES (75-86); RN given refers to ((5'alpha)-isomer)
ergot alkaloid
2,5-di-tert-butyl-4-hydroxyanisole2,5-di-tert-butyl-4-hydroxyanisole: structure given in first sourcemethoxybenzenes;
phenols
atovaquoneatovaquone : A naphthoquinone compound having a 4-(4-chlorophenyl)cyclohexyl group at the 2-position and a hydroxy substituent at the 3-position.

Atovaquone: A hydroxynaphthoquinone that has antimicrobial activity and is being used in antimalarial protocols.
hydroxy-1,2-naphthoquinone
n-desmethylflunitrazepam
2,3-bis(benzoyloxy)tartaric acid2,3-bis(benzoyloxy)tartaric acid: SNC-86 refers to (-)dibenzoyl-L-tartaric acid salt
enpiperateenpiperate: RN given refers to parent cpd
5-chlorotryptamine
4'-methoxyflavone4'-methoxyflavone: from seeds of Psoralea corylifolia (Fabaceae); structure in first sourceether;
flavonoids
rivastigminecarbamate ester;
tertiary amino compound
cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent
rosiglitazoneaminopyridine;
thiazolidinediones
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
7-aminonitrazepam7-aminonitrazepam: urinary metabolite of nitrazepambenzodiazepine
3,3-diphenylpropylamine3,3-diphenylpropylamine: has antiextensor effect & worsens clonic seizure produced by pentylenetetrazole; RN given refers to parent cpd
1-methylxanthine1-methyl-7H-xanthine : A 1-methylxanthine tautomer where the imidazole proton is located at the 7-position.

1-methylxanthine : A monomethylxanthine having the methyl group located at the 1-position. It is a metabolite of caffeine in humans.

1-methylxanthine: urinary metabolite of caffeine
1-methylxanthinemouse metabolite
lotrafiban
6,7-dichloroquinoxaline-2,3-dione
8-bromoadenine8-bromoadenine: affects DNA repair
leucyl-alanineLeu-Ala : A dipeptide composed of L-leucine and L-alanine joined by a peptide linkage.dipeptidemetabolite
alanylprolinealanylproline: RN given refers to all (L)-isomerdipeptide;
dipeptide zwitterion
metabolite
fentanyl isothiocyanatefentanyl isothiocyanate: specific reagent for irreversible inactivation of delta opiate receptors in rat brain membranes; structure given in first sourcepiperidines
N-methyl-N-(3-pyridylmethyl)aminearalkylamine
1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester: structure given in first source
nicotine(S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum.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
tandospironetandospirone : A dicarboximide that is (3aR,4S,7R,7aS)-hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione which is substituted by a 4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl group at position 2. It is a potent and selective 5-HT1A receptor partial agonist (Ki = 27 nM).

tandospirone: structure given in first source
bridged compound;
dicarboximide;
N-alkylpiperazine;
N-arylpiperazine;
pyrimidines
antidepressant;
anxiolytic drug
tiagabine hydrochloridetiagabine hydrochloride : A hydrochloride resulting from the reaction of equimolar amounts of tiagabine and hydrogen chloride. A GABA reuptake inhibitor, it is used for the treatment of epilepsy.hydrochlorideanticonvulsant;
GABA reuptake inhibitor
mephenterminesphinganine : A 2-aminooctadecane-1,3-diol having (2S,3R)-configuration.2-aminooctadecane-1,3-diolEC 2.7.11.13 (protein kinase C) inhibitor;
human metabolite;
mouse metabolite
prochlorperazine edisylate salt
oxybutynin hydrochloridehydrochloride
5'-adenylyl (beta,gamma-methylene)diphosphonate5'-adenylyl (beta,gamma-methylene)diphosphonate: do not confuse with alpha,beta-methyleneadenosine 5'-triphosphatenucleoside triphosphate analogue
alpha,beta-methyleneadenosine 5'-triphosphatealpha,beta-methyleneadenosine 5'-triphosphate: do not confuse with beta,gamma-methylene ATP; RN given refers to parent cpdnucleoside triphosphate analogue
salsolinol(S)-salsolinol : A 1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol that has S-configuration.

salsolinol: RN given refers to cpd without isomeric designation; EP to SALSOLINE ALKALOIDS (78-82); on-line search SALSOLINE ALKALOIDS (78-82); Index Medicus search ISOQUINOLINES (78-82)
1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diolhuman urinary metabolite
n(6)-benzyladenosineN(6)-benzyladenosine: RN given refers to parent cpd
ro 20-18157-aminoflunitrazepam: flunitrazepam metabolite; structure given in first sourcebenzodiazepine
n-(4,4-diphenyl-3-butenyl)nipecotic acidN-(4,4-diphenyl-3-butenyl)nipecotic acid: structure given in first sourcediarylmethane
brexanolonebrexanolone : A 3-hydroxy-5alpha-pregnan-20-one in which the hydroxy group at position 3 has alpha-configuration. It is a metabolite of the sex hormone progesterone and used for the treatment of postpartum depression in women.

brexanolone: a mixture of allopregnanolone and sulfobutylether‐beta‐cyclodextrin for treatment of postpartum depression
3-hydroxy-5alpha-pregnan-20-oneantidepressant;
GABA modulator;
human metabolite;
intravenous anaesthetic;
sedative
glycylleucineGly-Leu : A dipeptide composed of glycine and L-leucine joined by a peptide linkage.dipeptide;
dipeptide zwitterion
metabolite
msh release-inhibiting hormoneoligopeptide
5-methylcytidinemethylcytidine
alanyltyrosineAla-Tyr : A dipeptide composed of L-alanine and L-tyrosine joined by a peptide linkage.

alanyltyrosine: tyrosine source; RN given refers to (L)-isomer
dipeptidemetabolite
glycylsarcosineglycylsarcosine : A dipeptide obtained by formal condensation of the carboxy group of glycine with the amino group of sarcosine.dipeptide;
dipeptide zwitterion
(6ar-trans)-isomer of tetrahydrocannabivarin 9
phenylisopropyladenosinearomatic amine;
benzenes;
hydrocarbyladenosine;
purine nucleoside;
secondary amino compound
adenosine A1 receptor agonist;
neuroprotective agent
coumarin 7coumarin 7: structure in first source
5-Methoxyflavone5-methoxyflavone: DNA polymerase-beta inhibitor and neuroprotective agent against beta-amyloid toxicity; structure in first sourceether;
flavonoids
fla 797
efuamideefuamide: same cpd is obtained from residue of ignited APC tablets; structure given in first source
osajinosajin: from Maclura pomiferaisoflavanones
imidazoleacetic acidimidazol-4-ylacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-4-yl group.

imidazol-5-ylacetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-5-yl group.

imidazoleacetic acid: RN given refers to cpd without specific location of acetic acid attachment identified; structure
imidazoles;
monocarboxylic acid
metabolite;
mouse metabolite
glycylaspartic acidglycylaspartic acid: RN given refers to (L)-isomerdipeptidemetabolite
1-(4-chlorophenyl)piperazine1-(4-chlorophenyl)piperazine: increases serotonin & decreases 5-hydroxyindoleacetic acid concentration in rat brain 6 hours after administration; RN given refers to parent cpd
s-(4-bromobenzyl)glutathioneS-(4-bromobenzyl)glutathione: inhibits glyoxalase I; cleaved in extracellular medium by gamma-glutamyl transferase
3-aminopropylphosphonic acid(3-aminopropyl)phosphonic acid : A phosphonic acid in which the hydrogen attached to the phosphorus of phosphonic acid is substituted by a 3-aminopropyl group. It is a partial agonist of GABAB receptors.

3-aminopropylphosphonic acid: RN given refers to parent cpd; structure
phosphonic acids;
primary amino compound;
zwitterion
GABAB receptor agonist
1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid : A member of the class of beta-carbolines that is 1,2,3,4-tetrahydro-beta-carboline substituted at position 3 by a carboxy group.

1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid: structure given in first source; RN given refers to cpd without isomeric designation
alpha-amino acid;
aromatic amino acid;
beta-carboline alkaloid
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite;
rat metabolite
1,2,3,4,6,7,12,12b-octahydroindolo(2,3-a)quinolizine1,2,3,4,6,7,12,12b-octahydroindolo(2,3-a)quinolizine: structure given in first source
delta(9)-tetrahydrocannabinolic acidDelta(9)-tetrahydrocannabinolic acid : A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. A biosynthetic precursor to Delta(9)-tetrahydrocannabinol, the principal psychoactive constituent of the cannabis plant.benzochromene;
diterpenoid;
hydroxy monocarboxylic acid;
phytocannabinoid;
polyketide
anti-inflammatory agent;
biomarker;
metabolite;
neuroprotective agent
2-(4-bromo-2,5-dimethoxyphenyl)ethylamine2-(4-bromo-2,5-dimethoxyphenyl)ethylamine: behaves as a partial agonist toward both alpha1-adrenergic & 5-HT(2) serotonergic receptors

2,5-dimethoxy-4-bromophenethylamine : A 2-arylethylamine compound where the aryl moiety is 4-bromo-2,5-dimethoxyphenyl.
2-arylethylamine
5'-n-methylcarboxamideadenosine5'-N-methylcarboxamideadenosine: RN given refers to (beta-D)-isomer
zpckZPCK: alkylates histidine residue at active center of bovine chymotrypsin
4-methoxydalbergione4-methoxydalbergione: causes dermititis; RN given refers to cpd without isomeric designation
2,5-dihydro-2-(4-methoxyphenyl)-3h-pyrazolo(4,3-c)quinolin-3-one
histidinoalaninehistidinoalanine: cross-linking amino acid in calcified tissue collagen; RN given refers to (L)-isomerdipeptide;
dipeptide zwitterion
metabolite
n(6)-phenyladenosinepurine nucleoside
lobeline(-)-lobeline : An optically active piperidine alkaloid having a 2-oxo-2-phenylethyl substituent at the 2-position and a 2-hydroxy-2-phenylethyl group at the 6-position.aromatic ketone;
piperidine alkaloid;
tertiary amine
nicotinic acetylcholine receptor agonist
tetrahydrodeoxycorticosteronetetrahydrodeoxycorticosterone: RN given refers to (3alpha,5beta)-isomer21-hydroxy steroid
n-methyladenosineN-methyladenosine: is a inhibitor of cell differentiation

N(6)-methyladenosine : A methyladenosine compound with one methyl group attached to N(6) of the adenine nucleobase.
methyladenosine
2'-o-methyladenosinecordysinin B : A member of the class of adenosines that is adenosine in which the hydroxy group at position 2' is replaced by a methoxy group. It has been isolated from the mycelia of Cordyceps sinensis.adenosines;
ether
fungal metabolite
alexidine dihydrchloride
1-amino-1,3-dicarboxycyclopentane1-amino-1,3-dicarboxycyclopentane: RN given refers to (cis)-isomer
enkephalin, d-penicillamine (2,5)-DPDPE : A heterodetic cyclic peptide that is a cyclic enkephalin analogue, having D-penicillaminyl residues located at positions 2 and 5, which form the heterocycle via a disulfide bond.

Enkephalin, D-Penicillamine (2,5)-: A disulfide opioid pentapeptide that selectively binds to the DELTA OPIOID RECEPTOR. It possesses antinociceptive activity.
heterodetic cyclic peptidedelta-opioid receptor agonist
arginyl-glycyl-aspartic acidarginyl-glycyl-aspartic acid: amino acid sequence of basic unit of widespread cellular recognition systemoligopeptide
alphaxalonealphaxalone: RN given refers to (3alpha,5alpha)-isomer; structurecorticosteroid hormone
cp-55,940
u 74006ftirilazad: a lazaroid; potent inhibitor of iron-dependent lipid peroxidation; has shown excellent activity in in vivo models of experimental central nervous system trauma & ischemia; structure given in first source; tradename Freedoxcorticosteroid hormone
vanoxerinevanoxerine dihydrochloride : A hydrochloride salt that is obtained by reaction of vanoxerine with two equivalents of hydrogen chloride. Potent, competitive inhibitor of dopamine uptake (Ki = 1 nM for inhibition of striatal dopamine uptake). Has > 100-fold lower affinity for the noradrenalin and 5-HT uptake carriers. Also a potent sigma ligand (IC50 = 48 nM). Centrally active following systemic administration.hydrochloridedopamine uptake inhibitor
methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylatemethyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate: structure given in first sourcebeta-carbolines
(3h)2-carbomethoxy-3-(4-fluorophenyl)tropane(1R-(exo,exo))-3-(4-fluorophenyl)-8-methyl-8- azabicyclo(3.2.1)octane-2-carboxylic acid, methyl ester: RN given refers to (1R-(exo,exo))-isomer
pregnenolone sulfatepregnenolone sulfate: RN given refers to (3 beta)-isomersteroid sulfateEC 2.7.1.33 (pantothenate kinase) inhibitor;
human metabolite
beta-carboline-3-carboxylic acid ethyl esterbeta-carboline-3-carboxylic acid ethyl ester: isolated from brain tissue & urine; extremely potent displacer of diazepam from brain benzodiazepam receptors; structure in first sourcebeta-carbolines
u 69593U 69593: selective ligand for opioid K-receptor

U69593 : A monocarboxylic acid amide obtained by formal condensation between the carboxy group of phenylacetic acid and the secodary amino group of (5R,7S,8S)-N-methyl-7-(pyrrolidin-1-yl)-1-oxaspiro[4.5]decan-8-amine.
monocarboxylic acid amide;
N-alkylpyrrolidine;
organic heterobicyclic compound;
oxaspiro compound
anti-inflammatory agent;
diuretic;
kappa-opioid receptor agonist
tuamine sulfate
beta-carboline-3-carboxylic acid methyl esterbeta-carboline-3-carboxylic acid methyl ester: structure given in first sourcebeta-carbolines
methoctraminemethoctramine : A tetramine that is N,N'-bis(6-aminohexyl)octane-1,8-diamine where the primary amino groups both carry 2-methoxybenzyl substituents.

methoctramine tetrahydrochloride : A hydrochloride obtained by combining methoctramine with four molar equivalents of hydrochloric acid.

methoctramine: structure given in first source
hydrochloridemuscarinic antagonist
arginyl-glycyl-aspartyl-serinearginyl-glycyl-aspartyl-serine: corresponds to cell attachment site of fibronectin; located near carboxyl-terminal region of alpha-chain of fibrinogen; inhibits platelet aggregation & fibrinogen binding to activated platelets
gr 127935GR 127935 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxylic acid and the anilino group of 4-methoxy-3-(4-methylpiperazin-1-yl)aniline. Potent and selective 5-HT1B/1D receptor antagonist (pKi values are 8.5 for both guinea pig 5-HT1D and rat 5-HT1B receptors). Displays > 100-fold selectivity over 5HT1A, 5-HT2A, 5-HT2C receptors and other receptor types. Centrally active following oral administration.

GR 127935: a 5-HT 1D receptor antagonist
1,2,4-oxadiazole;
benzamides;
N-alkylpiperazine;
N-arylpiperazine
afdx 116otenzepad: cardioselective muscarinic receptor antagonist; structure given in first sourcebenzodiazepine
sr 95531methoxybenzenes
epicatechin gallate(-)-epicatechin-3-O-gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida.

epicatechin gallate: a steroid 5alpha-reductase inhibitor; RN given refers to the (cis)-isomer; structure given in first source; isolated from green tea
catechin;
gallate ester;
polyphenol
EC 3.2.1.1 (alpha-amylase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
metabolite
bretazenilbretazenil: RN given for (S) isomer
ecopipamecopipam: structure given in first sourcebenzazepine
cl 218872CL 218872: shows specific action on benzodiazepine receptors; structurepyridazines;
ring assembly
6-chloro-2-(1-piperazinyl)pyrazineN-arylpiperazine
3-iodo-2-hydroxy-6-methoxy-n-((1-ethyl-2-pyrrolidinyl)methyl)benzamide3-iodo-2-hydroxy-6-methoxy-N-((1-ethyl-2-pyrrolidinyl)methyl)benzamide: a dopamine receptor imaging agent; RN refers to (S)-isomer; RN & structure given in first source
ramosetronindoles
5-methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1h indoleindoles
zacopridebenzamides
3',4'-dichlorobenzamil3',4'-dichlorobenzamil: inhibits Na-Ca exchange in membrane vesicle & papillary muscle preparations from guinea pig heartguanidines;
pyrazines
ro 15-3505
pd 128907
tifluadomtifluadom: acts on opiate receptors; structure given in first sourcebenzodiazepine
zk 93426ZK 93426: GABA-A receptor antagbeta-carbolines
thiacloprid(Z)-thiacloprid : The (Z)-stereoisomer of thiacloprid.

thiacloprid : A nitrile that is cyanamide in which the hydrogens are replaced by a 1,3-thiazolidin-2-ylidene group which in turn is substituted by a (6-chloropyridin-3-yl)methyl group at the ring nitrogen.

thiacloprid: structure in first source
monochloropyridine;
nitrile;
thiazolidines
environmental contaminant;
neonicotinoid insectide;
xenobiotic
paliperidone3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one : A member of the class of pyridopyrimidines that is 9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl group at position 2.

paliperidone : A racemate comprising equimolar amounts of (R)- and (S)-paliperidone. Paliperidone is the primary active metabolite of the older antipsychotic risperidone and is used for treatment of schizophrenia.
1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine;
secondary alcohol
cubebin(-)-cubebin : A lignan that consists of tetrahydrofuran-2-ol substituted by two 1,3-benzodioxol-5-ylmethyl groups at positions 3 and 4 respectively (the 2S,3R,4R stereoisomer). It is isolated from the leaves of Piper nigrum and exhibits analgesic, anti-inflammatory, antimicrobial and trypanocidal activities.

cubebin: structure in first source
benzodioxoles;
cyclic acetal;
lactol;
lignan;
secondary alcohol
analgesic;
anti-inflammatory agent;
antimicrobial agent;
histamine antagonist;
plant metabolite;
trypanocidal drug
bw 373u86BW 373U86: a nonpeptidic delta opioid receptor agonistdiarylmethane
3-n-methylspiperone3-N-methylspiperone: (11(C))-labeled cpd used in positron tomography; dopamine agonist & dopamine receptor ligand; structure given in first sourcearomatic ketone
eserolineeseroline : A pyrroloindole that is 1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole substituted by methyl groups at positions 1, 3a and 8 and a hydroxy group at position 5. It is a metabolite of physostigmine and causes neuronal cell death by a mechanism involving loss of cell ATP.

eseroline: RN given refers to (3aS-cis)-isomer; structure
phenols;
pyrroloindole
human xenobiotic metabolite;
opioid analgesic
roemerineroemerine: from root tubers of Stephania kwangsiensis H.S. Lo; RN given refers to (R)-isomer; synonym aporeine refers to (S)-isomer; structure in Merck Index, 9th ed, #779isoquinoline alkaloid
4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanol: structure in first sourcepiperidines
afdx 384AF-DX 384 : A pyridobenzodiazepine that acts as a selective antagonist of the muscarinic acetylcholine receptors.benzodiazepine
gr 113808GR 113808 : An indolyl carboxylate ester obtained by formal condensation between the carboxy group of 1-methylindole-3-carboxylic acid with the hydroxy group of N-{2-[4-(hydroxymethyl)piperidin-1-yl]ethyl}methanesulfonamide.

GR 113808: structure given in first source; a 5-HT(4) receptor antagonist: GR 125487 is the HCl salt
indolyl carboxylate ester;
piperidines;
sulfonamide
serotonergic antagonist
3-methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole3-methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole: structure in first source
pramipexolepramipexole : A member of the class of benzothiazoles that is 4,5,6,7-tetrahydro-1,3-benzothiazole in which the hydrogens at the 2 and 6-pro-S-positions are substituted by amino and propylamino groups, respectively.

Pramipexole: A benzothiazole derivative and dopamine agonist with antioxidant properties that is used in the treatment of PARKINSON DISEASE and RESTLESS LEGS SYNDROME.
benzothiazoles;
diamine
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
radical scavenger
jstx-3JSTX-3: structure in first sourceN-acyl-amino acid
mosapride4-amino-5-chloro-2-ethoxy-N-({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)benzamide : A benzamide resulting from the formal condensation of the carboxy group of 4-amino-5-chloro-2-ethoxybenzoic acid with the amino group of 1-[4-(4-fluorobenzyl)morpholin-2-yl]methanamine.aromatic ether;
benzamides;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
secondary carboxamide;
substituted aniline;
tertiary amino compound
3-phenyl-1H-pyrazole-5-carboxylic acidpyrazoles;
ring assembly
sb 204070a
zk 93423beta-carbolines
24-hydroxycholesterol(24S)-24-hydroxycholesterol : A 24-hydroxycholesterol that has S configuration at position 24. It is the major metabolic breakdown product of cholesterol in the brain.24-hydroxycholesterolbiomarker;
human blood serum metabolite;
mouse metabolite
methylthio-adp
enkephalin-leu, arg(6)-
pd 81723PD 81723: adenosine binding enhancer; structure given in first source
bw a1433uBW A1433U: adenosine A3 receptor antagonist; attenuates hypoxia-induced AH interval prolongation; derivative of 1,3-dipropyl-8-phenylxanthine
2-(n,n-dimethylamino)-6,7-dihydroxytetralin
2-(n,n-dipropyl)amino-5,6-dihydroxytetralin2-(N,N-dipropyl)amino-5,6-dihydroxytetralin: RN given refers to parent cpd without isomeric designation
uh 301UH 301: structure given in first source
tyrosyl-arginyl-phenylalanyl-lysinamidetyrosyl-arginyl-phenylalanyl-lysinamide: dermorphin analog
argiotoxin-636argiotoxin-636: from the venom of Argiope aurantia; blocks neuromuscular transmission in insects; structure in first source.N-acyl-amino acid
a 68930A 68930: D-1 dopamine receptor agonist2-benzopyran
aj 76(1S,2R)-5-methoxy-1-methyl-2-(propylamino)tetralin : A secondary amino compound that consists of tetralin bearing methyl, propylamino and methoxy groups at positions 1, 2 and 5 respectively. Dopamine receptor antagonist with preferential action at presynaptic receptors (pKi values are 6.95, 6.67, 6.37, 6.21 and 6.07 at hD3. hD4, hD2S, hD2L and rD2 receptors respectively).

5-methoxy-1-methyl-2-(n-propylamino)tetralin: RN given refers to cis-(+)-isomer; structure given in first source
secondary amino compound;
tetralins
dopaminergic antagonist
gefitinibaromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
epidermal growth factor receptor antagonist
propyl beta-carboline-3-carboxylatepropyl beta-carboline-3-carboxylate: binds specifically to brain benzodiazepine receptorsbeta-carbolines
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine3-iodobenzyl-5'-N-methylcarboxamidoadenosine : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and one of the hydrogens of the exocyclic amino function is substituted by a 3-iodobenzyl group.

N(6)-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine: structure given in first source; a selective A(3) adenosine receptor agonist
adenosines;
monocarboxylic acid amide;
organoiodine compound
adenosine A3 receptor agonist
1-(1-(2-benzo(b)thienyl)cyclohexyl)piperidine1-(1-(2-benzo(b)thienyl)cyclohexyl)piperidine: structure given in first source

1-[1-(1-benzothiophen-2-yl)cyclohexyl]piperidine : A tertiary amino compound that consists of cyclohexane having piperidin-1-yl and benzothiophen-2-yl groups attached at position 1. A potent dopamine re-uptake inhibitor with a behavioral profile different from that of phencyclidine (PCP) and similar to that of cocaine.
1-benzothiophenes;
piperidines;
tertiary amino compound
dopamine uptake inhibitor
met-enkephalinamide
nnc 711NNC 711: structure in first source
2-chloro-n(6)cyclopentyladenosine2-chloro-N(6)cyclopentyladenosine: highly selective agonist at A1 adenosine receptors
glycyl-arginyl-glycyl-aspartyl-serineglycyl-arginyl-glycyl-aspartyl-serine: synthetic peptide from fibronectins; inhibits experimental metastasis of murine melanoma cells
dihydrotetrabenazinedihydrotetrabenazine: RN given refers to cpd without isomeric designationisoquinolines
4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-n,n-diethylbenzamide4-(alpha-(4-allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-N,N-diethylbenzamide: a highly-selective, nonpeptide delta opioid receptor agonist; structure given in first sourcediarylmethane
desloratadinedesloratadine : Loratadine in which the ethoxycarbonyl group attached to the piperidine ring is replaced by hydrogen. The major metabolite of loratidine, desloratadine is an antihistamine which is used for the symptomatic relief of allergic conditions including rhinitis and chronic urticaria. It does not readily enter the central nervous system, so does not cause drowsiness.

desloratadine: major metabolite of loratadine
benzocycloheptapyridineanti-allergic agent;
cholinergic antagonist;
drug metabolite;
H1-receptor antagonist
3-ethoxy-beta-carboline3-ethoxy-beta-carboline: high affinity benzodiazepine receptor ligand with partial inverse agonist properties
tert-butyl beta-carboline-3-carboxylatetert-butyl beta-carboline-3-carboxylate: benzodiazepine receptor antagonist
4-methoxymethylfentanyl4-methoxymethylfentanyl: structure given in first source
desvenlafaxineO-desmethylvenlafaxine : A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-hydroxyphenyl group. It is a metabolite of the drug venlafaxine.cyclohexanols;
phenols;
tertiary amino compound
antidepressant;
drug metabolite;
marine xenobiotic metabolite
2-amino-3-(3-(carboxymethoxy)-5-methylisoxazol-4-yl)propionic acid2-amino-3-(3-(carboxymethoxy)-5-methylisoxazol-4-yl)propionic acid: glutamate receptor antagonist; protects against kainic acid neurotoxicity in cultured cerebral cortex neurons
rti-coc 32RTI-COC 32: structure given in first source; RN given refers to (1R-(exo,exo))-isomer; RN for cpd without isomeric designation not available 4/91
4-amino-3-(5-chloro-2-thienyl)butyric acid4-amino-3-(5-chloro-2-thienyl)butyric acid: binds GABA receptors; RN & structure given in first source
adenosine amine congeneradenosine amine congener: a highly potent & selective adenosine A1 receptor agonist
8-(4-carboxymethyloxy)phenyl-1,3-dipropylxanthine8-(4-carboxymethyloxy)phenyl-1,3-dipropylxanthine: used to localize adenosine receptors in the brain
indatralineindatraline: RN given for (trans)-isomer; structure in first sourceindanes
lestaurtinibindolocarbazole
5-fluorowillardiine3-(5-fluorouracil-1-yl)-L-alanine : An alanine derivative that is L-alanine bearing a 5-fluorouracil-1-yl substituent at position 3. A more potent and selective AMPA receptor agonist (at hGluR1 and hGluR2) than AMPA itself (Ki = 14.7, 25.1, and 1820 nM for hGluR1, hGluR2 and hGluR5 respectively).

5-fluorowillardiine: a glutamate agonist; RN given for (S)-isomer
L-alanine derivative;
non-proteinogenic L-alpha-amino acid;
organofluorine compound
AMPA receptor agonist
gyki 53655GYKI 53655: an AMPA (alpha-amino-3-hydroxy-5-methylisoxazole-4-propionate) receptor antagonist
sb 200646N-(1-methyl-5-indolyl)-N'-(3-pyridyl)urea: structure given in first source; a selective 5-HT(1C) receptor antagonist; SB-200646 is the HCl saltindoles
methotrexatedicarboxylic acid;
monocarboxylic acid amide;
pteridines
abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent
ro 14-7437Ro 14-7437: benzodiazepine antag; no other info available 8/16/83
1,2,3,6-tetrahydro-4-phenyl-1-((3-phenyl-3-cyclohexen-1-yl)methyl)pyridine1,2,3,6-tetrahydro-4-phenyl-1-((3-phenyl-3-cyclohexen-1-yl)methyl)pyridine: RN refers to (R)-isomer; a dopamine autoreceptor agonist; structure given in first source
11-hydroxy-n-(n-propyl)noraporphine11-hydroxy-N-(n-propyl)noraporphine: RN given refers to parent cpd without isomeric designation; (R)-isomer is a dopamine agonist; (S)-isomer is a dopamine antagonist
3',6-dinitroflavone
ly 293558tezampanel: structure given in first source; an AMPA receptor antagonist
2-(3,4-dichlorophenyl)-n-methyl-n-(1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl)acetamide2-(3,4-dichlorophenyl)-N-methyl-N-(1-(3-isothiocyanatophenyl)-2-(1-pyrrolidinyl)ethyl)acetamide: structure in first source; kappa opioid receptor antagonist
7-bromoeudistomine d7-bromoeudistomine D: inducer of calcium release from fragmented sarcoplasmic reticulum
1-(3-fluoropropyl)-4-(4-cyanophenoxymethyl)piperidine1-(3-fluoropropyl)-4-(4-cyanophenoxymethyl)piperidine: selective sigma-1 receptor ligand; structure in first source
n 0734N 0734: dopamine receptor agonist; structure given in first source
dioctanoylphosphatidic aciddioctanoylphosphatidic acid: structure given in first source1,2-diacyl-sn-glycerol 3-phosphate;
octanoate ester
alpha-ethyl, alpha-methyl-thiobutyrolactonetetrahydrothiophenes
1-propylxanthine1-propylxanthine: structure given in first source
salvinorin asalvinorin A: from the herb, Salvia divinorumorganic heterotricyclic compound;
organooxygen compound
metabolite;
oneirogen
n-butyl beta-carboline-3-carboxylateN-butyl beta-carboline-3-carboxylate: benzodiazepine binding inhibitor from bovine cerebral cortexbeta-carbolines
1,3-dipropyl-8-phenylxanthine1,3-dipropyl-8-phenylxanthine: selective antagonist at adenosine A1 receptorsoxopurine
alanylglutamic acidalanylglutamic acid: RN given refers to (L)-isomer

L-alanyl-L-glutamic acid : A dipeptide consisting of L-glutamic acid having an L-alanyl attached to its alpha-amino group
dipeptide
tamsulosin5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamidealpha-adrenergic antagonist;
antineoplastic agent
l 670548L 670548: structure given in first source; muscarinic receptor agonist
azaprophenazaprophen: RN & structure given in first source; RN given refers to parent cpd
l 663581L 663581: structure given in first source; partial agonist at the benzodiazepine receptor
aq-ra 741AQ-RA 741: tricyclic cpd; structure given in first sourcebenzodiazepine
cgp 36742(3-aminopropyl)(n-butyl)phosphinic acid: interacts preferably with GABA-B RECEPTORS (IC50=38 μM) and GABA-C receptors (IC50=62 μM) over GABA-A RECEPTORS (IC50=508 μM)
nnc 112benzazepine
n-(6-methoxy-8-quinolyl)-4-toluenesulfonamide
glycyl- arginyl-glycyl-aspartyl-seryl-prolyl-lysine
2-methoxy-n-n-propylnorapomorphine2-methoxy-N-n-propylnorapomorphine: structure given in first source
3-propylamino-5-hydroxychroman
8-(dicyclopropylmethyl)-1,3-dipropylxanthine8-(dicyclopropylmethyl)-1,3-dipropylxanthine: selective A1 adenosine receptor antagonist; structure given in first source
alpha-isopropyl-alpha-methyl-gamma-butyrolactonealpha-isopropyl-alpha-methyl-gamma-butyrolactone: structure given in first source; picrotoxin receptor antagonist
5-(dipropylamino)-5,6-dihydro-4h-imidazo-(5,1ij)quinolin-2(1h)-one5-(dipropylamino)-5,6-dihydro-4H-imidazo-(5,1ij)quinolin-2(1H)-one: structure given in first source; U 86170F is the monohydrobromide hydrate
kfm 19KFM 19: a potential cognitive enhancer and a selective adenosine A1 receptor antagonist
sr 57227adialkylarylamine;
tertiary amino compound
cyclazosincyclazosin : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of furoic acid with the secondary amino group of 6,7-dimethoxy-2-[(4aR,8aS)-octahydroquinoxalin-1-yl]quinazolin-4-amine.

cyclazosin: an alpha(1D)-adrenoceptor antagonist; structure given in first source; RN given for (cis)-isomer
aromatic amide;
aromatic ether;
furans;
monocarboxylic acid amide;
quinazolines;
quinoxaline derivative
adenosine A2A receptor antagonist
sc 53116SC 53116: serotonin agonist; pyrrolizidine cpd but not alkaloid; structure given in first source
d-arg-gly-asp-trparginyl-glycyl-aspartyl-tryptophan: a synthetic RGD-containing peptide
bibn 99BIBN 99: structure given in first source; a highly selective M2 antagonist
fk 633((4-(4-amidinophenoxy)butanoyl)aspartyl)valine: structure given in first source
l 7330603-((3,5-bis(trifluoromethyl)phenyl)methyloxy)-2-phenylpiperidine: RN given refers to (2S-cis)-isomer; L-733,061 is pharmacologically inactive; structure in first sourcepiperidines
omega-n-methylarginineN(omega)-methyl-L-arginine : A L-arginine derivative with a N(omega)-methyl substituent.

omega-N-Methylarginine: A competitive inhibitor of nitric oxide synthetase.
amino acid zwitterion;
arginine derivative;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid
dc 015DC 015: a selective alpha1-adrenoceptor antagonist; structure given in first source
ly 99335, (3r-cis)-isomer
tripitraminetripitramine: structure given in first source; preferentially binds to M2 receptors
u-913565-propylamino-5,6-dihydro-4H-imidazo(4,5,1-ij)quinolin-2(1H)-one: an imidazoquinolinone dopamine D2 agonist; structure given in first source
l 741742L 741742: selective toward D4 receptors; structure in first sourceprimary amine
8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine: structure given in first source
sonepiprazole
sk&f 83959N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol : A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a 3-methylphenyl substituent at position 1, a methyl substituent at position 3, a chloro substituent at position 6 and two hydroxy substituents at positions 7 and 8. Dopamine D1-like receptor partial agonist (Ki values are 1.18, 7.56, 920 and 399 nM for rat D1, D5, D2 and D3 receptors respectively). May act as an antagonist in vivo, producing anti-Parkinsonian effects and antagonising the behavioral effects of cocaine.

SK&F 83959: induces grooming & vacuous chewing; agonist of dopamine D1-like receptors that inhibits dopamine sensitive adenylyl cyclase
benzazepine;
catechols;
organochlorine compound;
tertiary amino compound
dopamine agonist
l 7416263-(4-(4-chlorophenyl-4-hydroxypiperidino)methyl)indole: structure in first sourcepiperidines
10,11-methylenedioxy-n-propylnoraporphine10,11-methylenedioxy-N-propylnoraporphine: dopaminergic prodrug; RN given refers to parent cpd(d)-isomer
sk&f 89124SK&F 89124: structure given in first source
ly 106737LY 106737: RN given refers to (cis(+-)-isomer); structure given in first source
alpha-ergocryptinealpha-ergocryptine : Ergotaman bearing hydroxy, isopropyl, and 2-methylpropyl groups at the 12', 2' and 5' positions, respectively, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid. Ergocryptine discussed in the literature prior to 1967, when beta-ergocryptine was separated from alpha-ergocryptine, is now referred to as alpha-ergocryptine.

ergocryptine: a component of the ergotoxine complex; it is the main ergot alkaloid of Japanese & South American wid grasses; minor descriptor (76-86); on-line & INDEX MEDICUS search ERGOLINES (76-86); RN given refers to ((5'alpha)-isomer)
ergot alkaloid
sk&f 100330-aSK&F 100330-A: structure given in first source
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(+-)-isomer
cd 437CD 437: selective for retinoic acid receptors gamma

CD437 : A naphthoic acid that is 6-phenylnaphthylene-2-carboxyic acid in which the phenyl substituent has been substituted at positions 3 and 4 by adamant-1-yl and hydroxy groups, respectively. It acts as a selective agonist of retinoic acid receptor (RAR)gamma and induces cell cycle arrest and apoptosis in various cancer cells.
adamantanes;
monocarboxylic acid;
naphthoic acid;
phenols
apoptosis inducer;
retinoic acid receptor gamma agonist
2-(1-octynyl)adenosineYT 146: an adenosine receptor agonist; structure given in first source
pitrazepinpitrazepin: effects are not tissue specific; induced a bursting discharge pattern in cultures derived from hippocampus & hypothalamus; structure given in first sourceN-arylpiperazine
escitalopramescitalopram : A 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile that has S-configuration at the chiral centre. It is the active enantiomer of citalopram.

Escitalopram: S-enantiomer of CITALOPRAM. Belongs to a class of drugs known as SELECTIVE SEROTONIN REUPTAKE INHIBITORS, used to treat depression and generalized anxiety disorder.
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrileantidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
lexaproLexapro: Trade name of escitalopram, the active S-enantiomer of the racemic citalopram.
sk&f-38393
perifosineammonium betaine;
phospholipid
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
diquafosoldiquafosol: purinoceptor P2Y(2) receptor agonist

P(1),P(4)-bis(uridin-5'-yl) tetraphosphate : A pyrimidine ribonucleoside 5'-tetraphosphate compound having 5'-uridinyl residues at the P(1)- and P(4)-positions.
pyrimidine ribonucleoside 5'-tetraphosphate;
uridine 5'-phosphate
mouse metabolite;
P2Y2 receptor agonist
cariporidecariporide: a selective sodium-hydrogen exchange subtype 1 inhibitor; structure in first source
vatalanibmonochlorobenzenes;
phthalazines;
pyridines;
secondary amino compound
angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
1,1'-biphenyl-4-yl-boronic acid
4-methylthioamphetamine4-methylthioamphetamine: structure given in first source
1-isoamyl-3-isobutylxanthine
3-(1-methyl-1,2,3,6-tetrahydropyrid-4-yl)indole3-(1-methyl-1,2,3,6-tetrahydropyrid-4-yl)indole: structure given in first source
prolyl-tyrosinePro-Tyr : A dipeptide formed from L-proline and L-tyrosine residues.

prolyl-tyrosine: structure given in first source
dipeptidemetabolite
1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)-3,5-pyridinedicarboxylic acid dimethyl ester: structure given in first source
l 738167L 738167: structure in first source
ruboxistaurinruboxistaurin: inhibits protein kinase C beta; structure in first source
solifenacinisoquinolines
dexmethylphenidatedexmethylphenidate : A methyl phenyl(piperidin-2-yl)acetate in which both stereocentres have R configuration. It is the active enantiomer in the racemic drug methylphenidate.methyl phenyl(piperidin-2-yl)acetateadrenergic agent
pumosetragPumosetrag: a 5-HT3 receptor agonist MKC-733 on upper gastrointestinal motility in human
hyoscyamine(S)-atropine : An atropine with a 2S-configuration.

Hyoscyamine: The 3(S)-endo isomer of atropine.
tropane alkaloid
besonprodilbesonprodil: CI-1041 is also known as PD19680; NMDA receptor antagonist for treatment of Parkinson's disease; structure in first source
chloroethylnorapomorphinechloroethylnorapomorphine: irreversible dopamine receptor antagonist; RN given refers to (R)-isomer; structure given in first source
canertinib dihydrochloride
canertinibmonochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase inhibitor
cinacalcetcinacalcet : A secondary amino compound that is (1R)-1-(naphthalen-1-yl)ethanamine in which one of the hydrogens attached to the nitrogen is substituted by a 3-[3-(trifluoromethyl)phenyl]propyl group.(trifluoromethyl)benzenes;
naphthalenes;
secondary amino compound
calcimimetic;
P450 inhibitor
birb 796aromatic ether;
morpholines;
naphthalenes;
pyrazoles;
ureas
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
immunomodulator
lubazodone hydrochloridelubazodone hydrochloride: structure given in first source
alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid
tecadenosontecadenoson: an A1 adenosine receptor agonist
philanthotoxin 343philanthotoxin 343: structure given in first source (see article's footnote); identical to philanthotoxin 433 except that the number of methylene groups between the respective amine moieties is 3,4,3 instead of 4,3,3N-acyl-amino acid
didesipraminedidesipramine: metabolite of imipramine; RN given refers to parent cpddibenzoazepine
1-deazaadenosine1-deazaadenosine: inhibits nucleic acid & protein synthesis; structure given in first source
miltironemiltirone: from Salvis miltiorrhiza Bunge; central benzodiazepine receptor ligand; structure given in first sourceabietane diterpenoid
cyc 202seliciclib : 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors.2,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
Serotonin hydrochloridetryptamines
n-phthaloylglutamic acidN-phthaloyl-L-glutamic acid : A glutamic acid derivative that is L-glutamic acid in which the two hydrogens on the amino group are substituted by a phthaloyl group.L-glutamic acid derivative;
phthalimides
harmalanharmalan: structure given in first sourceharmala alkaloid
cannabidiolic acidcannabidiolic acid : A dihydroxybenzoic acid that is olivetolic acid in which the hydrogen at position 3 is substituted by a 3-p-mentha-1,8-dien-3-yl (limonene) group.

cannabidiolic acid: structure
dihydroxybenzoic acid;
phytocannabinoid;
polyketide;
resorcinols
4-hydroxybenzyl isothiocyanate4-hydroxybenzyl isothiocyanate: found in white mustard; structure in first sourcephenols
corydalminecorydalmine: antagonizes dopamine receptors; structure given in first source; RN given refers to (S)-isomer
1,3-dipropyl-7-methylxanthine1,3-dipropyl-7-methylxanthine: structure given in first source
2-chloro-atp2-chloro-ATP: new ATP analog; relaxes mammalian gut preparations; structure
bw a522BW A522: blocks adenosine A3 receptor-mediated hypotensive responses in rats
sk&f 107260SK&F 107260: structure given in first source
2-hexynyladenosine-5'-n-ethylcarboxamide2-hexynyladenosine-5'-N-ethylcarboxamide: adenosine receptor agonist
tanshinone ii atashinone IIA: a cardiovascular agent with antineoplastic activity; isolated from Salvia miltiorrhiza; structure in first sourceabietane diterpenoid
5-fluorotryptamine5-fluorotryptamine: RN given refers to parent cpd
4'-hydroxyflavanone4'-hydroxyflavanone: structure in first source

4'-hydroxyflavanones : Any hydroxyflavanone having a hydroxy substituent located at position 4'.
4'-hydroxyflavanones;
monohydroxyflavanone
n-n-propylnorapomorphineaporphine alkaloid
5-bromowillardiine5-bromowillardiine: acts as a kainate-like agonist on chick EAA receptors expressed in Xenopus oocytes; RN given refers to (S)-isomer; RN for cpd without isomeric designation not avail 5/91
hexamethylenebis(dimethyl-(3-phthalimidopropyl)ammonium bromide)hexamethylenebis(dimethyl-(3-phthalimidopropyl)ammonium bromide): antidote in organophosphate poisoning
w 84
caracurine vcaracurine V: isolated from stembark of Strychnos chrysophyllaalkaloid
erysodineerysodine : An erythrina alkaloid with formula C18H21NO3 isolated from several erythrina plant species. It is a competitive antagonist of nicotinic acetylcholine receptors and exhibits antiparasitic and insecticidal activities.

erysodine: structure given in first source
aromatic ether;
diether;
Erythrina alkaloid;
organic heterotetracyclic compound;
phenols
antiparasitic agent;
nicotinic antagonist;
phytogenic insecticide
1,3-dipropylxanthine1,3-dipropylxanthine: has high affinity for adenosine receptors; structure given in first source
n-demethyllysergic acid diethylamideN-demethyllysergic acid diethylamide: RN given refers to (betaa)-isomer
n,n-di-n-propylserotoninN,N-di-n-propylserotonin: structure given in first source
vareniclinevarenicline : An organic heterotetracyclic compound that acts as a partial agonist for nicotinic cholinergic receptors and is used (in the form of its tartate salt) as an aid to giving up smoking.

Varenicline: A benzazepine derivative that functions as an ALPHA4-BETA2 NICOTINIC RECEPTOR partial agonist. It is used for SMOKING CESSATION.
adenosine 5'-o-(1-thiodiphosphate)adenosine 5'-O-(1-thiodiphosphate): do not confuse with ADP beta S
4(4-chlorophenyl)-1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydropyridine4(4-chlorophenyl)-1-(4-(4-fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydropyridine: metabolite of haloperidol; much less potent neuroleptic agent than haloperidol; structure in first sourcearomatic ketone
5,6,7,8-tetrahydro-4h-isoxazolo(4,5-d)azepin-3-ol5,6,7,8-tetrahydro-4H-isoxazolo(4,5-d)azepin-3-ol: glycine antagonist; see also record for (4,5-c) cpd; RN given refers to parent cpd
5-hydroxy-2-n,n-dipropylaminotetralin5-hydroxy-2-N,N-dipropylaminotetralin: RN given refers to cpd without isomeric designation
carboline-3-carboxylic acid
gr 144053GR 144053: structure given in first sourcepiperazines
1-(3-(4-chlorobenzoyl)propyl)-4-hydroxy-4-(4-chlorophenyl)piperidine1-(3-(4-chlorobenzoyl)propyl)-4-hydroxy-4-(4-chlorophenyl)piperidine: RN given refers to parent cpd
sk&f 75670
atropinetropan-3alpha-yl 3-hydroxy-2-phenylpropanoate : A tropane alkaloid that is (1R,5)-8-methyl-8-azabicyclo[3.2.1]octane substituted by a (3-hydroxy-2-phenylpropanoyl)oxy group at position 3.
sb 203580imidazoles;
monofluorobenzenes;
pyridines;
sulfoxide
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent
sb 216763indoles;
maleimides
enzastaurinindoles;
maleimides
zm 241385ZM 241385: a high affinity radioligand selective for the A2a adenosine receptordiamino-1,3,5-triazine
sch 58261triazolopyrimidines
erlotinibaromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound
antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
cilengitideCilengitide: an alphaVbeta3 integrin antagonist that paralyzes cancer cellsoligopeptide
roxifibanroxifiban: structure in first source
xv 459XV 459: structure in first source
piboserodSerotonin 5-HT4 Receptor Antagonists: Drugs that bind to but do not activate SEROTONIN 5-HT4 RECEPTORS, thereby blocking the actions of SEROTONIN or SEROTONIN RECEPTOR AGONISTS.
l 767679L 767679: structure in first source
l 734217L 734217: fibrinogen receptor antagonist; structure given in first source
lu 25-109LU 25-109-T: partial muscarinic M1 agonist and presynaptic M2 autoreceptor antagonistdihydropyridine
pozanicline
orbofibanorbofiban: structure in first source
asimadolineasimadoline: structure in first source
2-amino-4-phosphonobutyric acid(2S)-2-amino-4-phosphonobutanoic acid : A non-proteinogenc L-alpha-amino acid that is L-alpha-aminobutyric acid in which one of the hydrogens of the terminal methyl group has been replaced by a dihydroxy(oxido)-lambda(5)-phosphanyl group. It is a potent and selective agonist for the group III metabotropic glutamate receptors (mGluR4/6/7/8).non-proteinogenic L-alpha-amino acid;
phosphonic acids
metabotropic glutamate receptor agonist
dizocilpinesecondary amino compound;
tetracyclic antidepressant
anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist
chrysene-1,4-dionephenanthrenes
memantine hydrochloridehydrochlorideantidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist
nantenine, (+-)-isomer
esketamineesketamine : The S- (more active) enantiomer of ketamine.ketamineanalgesic;
intravenous anaesthetic;
NMDA receptor antagonist
(+)-epicatechin(+)-epicatechin : A catechin that is flavan carrying five hydroxy substituents at positions 3, 3', 4', 5 and 7 (the 2S,3S-stereoisomer).catechin;
polyphenol
cyclooxygenase 1 inhibitor;
plant metabolite
4',6-dihydroxyflavone4',6-dihydroxyflavone : A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 4' and 6.dihydroxyflavone
rs 23597-190methoxybenzoic acid
sibenadetsibenadet: structure in first source
7-aminoclonazepambenzodiazepine
ngd 94-1NGD 94-1: D(4) receptor antagonist; structure in first source
l 7340055-chloro-3-phenylthioindole-2-carboxamide: structure given in first source; an inhibitor of HIV-1 reverse transcriptase
n-methyl-n-(1-phenyl-2-(1-pyrrolidinyl)ethyl)phenylacetamideN-methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)phenylacetamide: structure given in first source
zg 63ZG 63: structure given in first source; a high affinity ligand for diazepam-insensitive benzodiazepine receptors
cns 5161CNS 5161: structure in first source
ro 5-3438Ro 5-3438: structure
etravirineaminopyrimidine;
aromatic ether;
dinitrile;
organobromine compound
antiviral agent;
HIV-1 reverse transcriptase inhibitor
prolylglutamic acidPro-Glu : A dipeptide formed from L-proline and L-glutamic acid residues.dipeptidemetabolite
maduramicinmaduramicin: isolated from Actinomadura rubra
nanteninenantenine: from Nandina domestica Thundberg; RN given refers to (S)-isomer; structure given in first sourceoxoaporphine alkaloidmetabolite
latrepirdinelatrepirdine: structuremethylpyridines;
pyridoindole
geroprotector
ci 966CI 966: GABA uptake blocker; RN from Toxlitdiarylmethane
lapatinibfurans;
organochlorine compound;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase inhibitor
bifeprunoxbifeprunox: an antipsychotic agentbiphenyls
2-(4-morpholinoanilino)-6-cyclohexylaminopurine2-(4-morpholinoanilino)-6-cyclohexylaminopurine: structure in first sourcemorpholines;
purines;
secondary amino compound;
tertiary amino compound
adenosine A3 receptor antagonist;
antineoplastic agent;
Aurora kinase inhibitor;
cell dedifferentiation agent
1H-indol-3-yl-(4-methoxyphenyl)methanoneN-acylindole
prizes(E)-acetamiprid : The (E)-stereoisomer of acetamiprid.

acetamiprid : A carboxamidine that is acetamidine in which the amino hydrogens are substituted by a (6-chloropyridin-3-yl)methyl and a methyl group while the hydrogen attached to the imino nitrogen is replaced by a cyano group.

acetamiprid: structure in first source
carboxamidine;
monochloropyridine;
nitrile
environmental contaminant;
neonicotinoid insectide;
xenobiotic
darunavirdarunavir : An N,N-disubstituted benzenesulfonamide bearing an unsubstituted amino group at the 4-position, used for the treatment of HIV infection. A second-generation HIV protease inhibitor, darunavir was designed to form robust interactions with the protease enzyme from many strains of HIV, including those from treatment-experienced patients with multiple resistance mutations to other protease inhibitors.

Darunavir: An HIV PROTEASE INHIBITOR that is used in the treatment of AIDS and HIV INFECTIONS. Due to the emergence of ANTIVIRAL DRUG RESISTANCE when used alone, it is administered in combination with other ANTI-HIV AGENTS.
carbamate ester;
furofuran;
sulfonamide
antiviral drug;
HIV protease inhibitor
lurasidonelurasidone : An N-arylpiperazine that is (3aR,4S,7R,7aS)-2-{[(1R,2R)-2-(piperazin-1-ylmethyl)cyclohexyl]methyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione in which position N4 of the piperazine ring is substituted by a 1,2-benzothiazol-3-yl group. Lurasidone is used (generally as the hydrochloride salt) as an atypical antipsychotic for the treatment of schizophrenia.1,2-benzisothiazole;
bridged compound;
dicarboximide;
N-arylpiperazine
adrenergic antagonist;
dopaminergic antagonist;
second generation antipsychotic;
serotonergic antagonist
eglumetadeglumetad: LY-354740 is the active isomer, LY-366563 is the inactive isomer, and LY 314582 is the racemate; structure given in first sourceL-alpha-amino acid
deferasiroxdeferasirox : A member of the class of triazoles, deferasirox is 1,2,4-triazole substituted by a 4-carboxyphenyl group at position 1 and by 2-hydroxyphenyl groups at positions 3 and 5. An orally active iron chelator, it is used to manage chronic iron overload in patients receiving long-term blood transfusions.

Deferasirox: A triazole and benzoate derivative that acts as a selective iron chelator. It is used in the management of chronic IRON OVERLOAD due to blood transfusion or non-transfusion dependent THALASSEMIA.
benzoic acids;
monocarboxylic acid;
phenols;
triazoles
iron chelator
bms204352BMS204352: a calcium-sensitive opener of maxi-K potassium channels; structure in first source
elarofibanelarofiban: a GPIIb and GPIIIa receptor antagonist; structure in first source
sorafenib(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide
angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor
mesembrenonemesembrenone: a psychoactive compound isolated from Sceletium tortuosum; structure in first sourcepyrrolidines
solifenacin succinateSolifenacin Succinate: A quinuclidine and tetrahydroisoquinoline derivative and selective M3 MUSCARINIC ANTAGONIST. It is used as a UROLOGIC AGENT in the treatment of URINARY INCONTINENCE.isoquinolines
regadenosonpurine nucleoside
roxindoleindolesalpha-adrenergic antagonist;
serotonergic drug
cp 101,606traxoprodil mesylate: a selective NMDA antagonist; structure given in first source
estradiol 3-benzoate17beta-estradiol 3-benzoate : A benzoate ester resulting from the formal condensation of benzoic acid with the phenolic hydroxy group of 17beta-estradiol.17beta-hydroxy steroid;
benzoate ester
estrogen receptor agonist;
xenoestrogen
cortisone11-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
8-cyclohexylcaffeine
lilial
mrs 10673,6-dichloro-2'-isopropyloxy-4'-methylflavone: structure in first source
nsc 953971,4-naphthoquinones
1-(4-methoxyphenyl)piperazine1-(4-methoxyphenyl)piperazine: a designer drug; structure in first source
pnu 1205961-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methylisoxazol-3-yl)urea: an alpha7nAChR agonist; structure in first sourceureas
nafronyloxalate
3,6-bis(2-pyridyl)-1,2,4,5-tetrazine3,6-bis(2-pyridyl)-1,2,4,5-tetrazine: structure in first source
2,4-diaminopteridine2,4-diaminopteridine: structure in first source
cercosporincercosporin : An organic heterohexacyclic compound that is perylo[1,12-def][1,3]dioxepine-6,11-dione substituted by hydroxy groups at positions 5 and 12, by methoxy groups at positions 7 and 10, and by 2-hydroxypropyl groups at positions 8 and 9 (the R,R-stereoisomer). It is a phytotoxin which was first isolated from the pathogenic soybean fungus, Cercospora kikuchii and later found in multiple members of the genus Cercospora.

cercosporin: phyytotoxin from Cercospora beticola Sacc; posses photodynamic action on mice, bacteria & plants
harmicineharmicine: structure in first source
5-((4-(4-(diethylamino)butyl)-1-piperidinyl)acetyl)-10,11-dihydrobenzo(b,e)(1,4)diazepine-11-one5-((4-(4-(diethylamino)butyl)-1-piperidinyl)acetyl)-10,11-dihydrobenzo(b,e)(1,4)diazepine-11-one: structure given in first source; a dibenzo derivative of AQ-RA 741; a m2-selective muscarinic antagonist
nsc 663284NSC 663284: structure in first sourcequinolone
nsc668394
nsc681152
ritonavirritonavir : An L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.

Ritonavir: An HIV protease inhibitor that works by interfering with the reproductive cycle of HIV. It also inhibits CYTOCHROME P-450 CYP3A.
1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas
antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
mrs 12209-chloro-2-(2-furyl)-5-phenylacetylamino(1,2,4)triazolo(1,5-c)quinazoline: structure in first sourcequinazolines
mequindoxMequindox: a synthetic quinoxaline 1,4-dioxide derivative which can effectively improve growth and feed efficiency in animals; structure in first source
1-methyl-6-methoxy-dihydro-beta-carboline
anatoxin aanatoxin a: found in Anabaena; was indexed to cyanobacterial toxin (MARINE TOXINS) 1978-2006; also see anatoxin-a(s)tropane alkaloid
5'-methylthioadenosine5'-methylthioadenosine: structure

5'-S-methyl-5'-thioadenosine : Adenosine with the hydroxy group at C-5' substituted with a methylthio (methylsulfanyl) group.
thioadenosinealgal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
naringenin(S)-naringenin : The (S)-enantiomer of naringenin.(2S)-flavan-4-one;
naringenin
expectorant;
plant metabolite
5-hydroxytryptophan5-hydroxy-L-tryptophan : The L-enantiomer of 5-hydroxytryptophan.

hydroxytryptophan : A hydroxy-amino acid that is tryptophan substituted by at least one hydroxy group at unspecified position.
5-hydroxytryptophan;
amino acid zwitterion;
hydroxy-L-tryptophan;
non-proteinogenic L-alpha-amino acid
human metabolite;
mouse metabolite;
plant metabolite
cysteinylglycinecysteinylglycine: RN given refers to (L)-isomer; RN for cpd without isomeric designation not in Chemlne 7/13/83

L-cysteinylglycine : A dipeptide consisting of glycine having an L-cysteinyl attached to its alpha-amino group. It is an intermediate metabolite in glutathione metabolism.
dipeptide;
dipeptide zwitterion
Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite
taxifolin(+)-taxifolin : A taxifolin that has (2R,3R)-configuration.taxifolinmetabolite
tosylphenylalanyl chloromethyl ketoneN-tosyl-L-phenylalanyl chloromethyl ketone : The N-tosyl derivative of L-phenylalanyl chloromethyl ketone.

Tosylphenylalanyl Chloromethyl Ketone: An inhibitor of Serine Endopeptidases. Acts as alkylating agent and is known to interfere with the translation process.
alpha-chloroketone;
sulfonamide
alkylating agent;
serine proteinase inhibitor
discretamine(S)-scoulerine : A berberine alkaloid isolated from Corydalis saxicola.berberine alkaloid;
organic heterotetracyclic compound
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
plant metabolite
willardiine3-(uracil-1-yl)-L-alanine : The 3-(uracil-1-yl) derivative of L-alanine.

willardiine: isolated from seeds of Acacia willariana; structure
amino acid zwitterion;
L-alanine derivative;
non-proteinogenic L-alpha-amino acid
nitro-bis(2,4-pentanedionato)(pyridine)cobalt(iii)nitro-bis(2,4-pentanedionato)(pyridine)cobalt(III): structure given in first source

P(1),P(5)-bis(5'-adenosyl) pentaphosphate : A diadenosyl pentaphosphate having the two 5'-adenosyl residues attached at the P(1)- and P(5)-positions.
diadenosyl pentaphosphateEscherichia coli metabolite;
vasoconstrictor agent
tetrahydrocolumbamine(S)-tetrahydrocolumbamine : A berberine alkaloid consisting of columbamine having four extra hydrogens at positions 5, 8, 13 and 13a and (S)-configuration.

tetrahydrocolumbamine: a dopamine receptor ligand; from Polygala tenuifolia; structure given in first source
berberine alkaloid;
organic heterotetracyclic compound
adenosine 5'-o-(3-thiotriphosphate)adenosine 5'-[gamma-thio]triphosphate : A nucleoside triphosphate analogue that is ATP in which one of the oxygens attached to 3-phosphate group is replaced by sulfur.

adenosine 5'-O-(3-thiotriphosphate): RN given refers to cpd with unspecified locant for thio group; see also records for 1-thio & 2-thio-isomers
nucleoside triphosphate analogue
strychninestrychnine : A monoterpenoid indole alkaloid that is strychnidine bearing a keto substituent at the 10-position.

Strychnine: An alkaloid found in the seeds of STRYCHNOS NUX-VOMICA. It is a competitive antagonist at glycine receptors and thus a convulsant. It has been used as an analeptic, in the treatment of nonketotic hyperglycinemia and sleep apnea, and as a rat poison.
monoterpenoid indole alkaloid;
organic heteroheptacyclic compound
avicide;
cholinergic antagonist;
glycine receptor antagonist;
neurotransmitter agent;
rodenticide
saquinavirsaquinavir : An aspartic acid derivative obtained by formal condensation of the primary amino group of (2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-ylamine with the carboxy group of N(2)(-quinolin-2-ylcarbonyl)-L-asparagine. An inhibitor of HIV-1 protease.

Saquinavir: An HIV protease inhibitor which acts as an analog of an HIV protease cleavage site. It is a highly specific inhibitor of HIV-1 and HIV-2 proteases, and also inhibits CYTOCHROME P-450 CYP3A.
L-asparagine derivative;
quinolines
antiviral drug;
HIV protease inhibitor
pentazocinePentazocine: The first mixed agonist-antagonist analgesic to be marketed. It is an agonist at the kappa and sigma opioid receptors and has a weak antagonist action at the mu receptor. (From AMA Drug Evaluations Annual, 1991, p97)benzazocine
hyperforinhyperforin : A cyclic terpene ketone that is a prenylated carbobicyclic acylphloroglucinol derivative produced by St. John's Wort, Hypericum perforatum.

hyperforin: a prenylated acylphloroglucinol derivative; antibiotic component of novoimanine; psychoactive agent in St. John's wort; Russian; structure;
terconazole(2R,4S)-terconazole : A 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine in which positions 2 and 4 of the 1,3-dioxolane moiety have R and S configuration, respectively.

terconazole : A racemate consisting of equimolar amounts of (2R,4S)- and (2S,4R)-terconazole. It has broad-spectrum antifungal activitiy and is used for the treatment of vaginal yeast infections (Candida).

terconazole: structure & RN for (cis)-isomer from first source
1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine
bisabololKamillosan: drug combination containing chamomile and bisabolol; used to treat dermatitissesquiterpenoid
hematoxylinhaematoxylin : An organic heterotetracyclic compound 7,11b-dihydroindeno[2,1-c]chromene carrying five hydroxy substituents at positions 3, 4, 6a, 9 and 10. The most important and most used dye in histology, histochemistry, histopathology and in cytology.haematoxylin
hinokininhinokinin : A lignan that is dihydrofuran-2(3H)-one (gamma-butyrolactone) substituted by a 3,4-methylenedioxybenzyl group at positions 3 and 4 (the 3R,4R-diastereoisomer).

hinokinin: suppresses expression of both HBsAg and HBeAg
benzodioxoles;
gamma-lactone;
lignan
trypanocidal drug
N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamideanilide
enkephalin, methioninepentapeptide;
peptide zwitterion
analgesic;
antineoplastic agent;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist
sb 221284SB 221284: 5-HT(2C/2B) receptor antagonist; structure in first sourceindolyl carboxylic acid
sb 228357SB 228357: a neuroleptic with equivalent or higher antagonist affinity for 5-HT2 than for dopamine D2 receptorindolyl carboxylic acid
sb 243213SB 243213: a 5-HT2c inverse agonist; structure in first sourceindolyl carboxylic acid
diprenorphineDiprenorphine: A narcotic antagonist similar in action to NALOXONE. It is used to remobilize animals after ETORPHINE neuroleptanalgesia and is considered a specific antagonist to etorphine.morphinane alkaloid
canadine, (r)-isomer(R)-canadine : A canadine which has R configuration.canadine
3,5-dihydroxyphenylglycine(S)-3,5-dihydroxyphenylglycine : A glycine derivative that is L-alpha-phenylglycine substituted at positions 3 and 5 on the phenyl ring by hydroxy groups.amino acid zwitterion;
non-proteinogenic L-alpha-amino acid;
resorcinols
tolterodinetertiary amineantispasmodic drug;
muscarinic antagonist;
muscle relaxant
ergonovineergometrine : A monocarboxylic acid amide that is lysergamide in which one of the hydrogens attached to the amide nitrogen is substituted by a 1-hydroxypropan-2-yl group (S-configuration). An ergot alkaloid that has a particularly powerful action on the uterus, its maleate (and formerly tartrate) salt is used in the active management of the third stage of labour, and to prevent or treat postpartum of postabortal haemorrhage caused by uterine atony: by maintaining uterine contraction and tone, blood vessels in the uterine wall are compressed and blood flow reduced.

Ergonovine: An ergot alkaloid (ERGOT ALKALOIDS) with uterine and VASCULAR SMOOTH MUSCLE contractile properties.
ergot alkaloid;
monocarboxylic acid amide;
organic heterotetracyclic compound;
primary alcohol;
secondary amino compound;
tertiary amino compound
diagnostic agent;
fungal metabolite;
oxytocic;
toxin
tibolonetibolone : Estran-3-one with a double bond between positions 5 and 10, and bearing both an ethynyl group and a hydroxy group at position 17 (R-configuration). A synthetic steroid hormone drug which acts as an agonist at all five type I steroid hormone receptors, it is used in the prevention of postmenopausal osteoporosis and for treatment of endometriosis.

tibolone: used in prevention of postmenopausal osteoporosis
17beta-hydroxy steroid;
terminal acetylenic compound
bone density conservation agent;
hormone agonist
darifenacindarifenacin : 2-[(3S)-1-Ethylpyrrolidin-3-yl]-2,2-diphenylacetamide in which one of the hydrogens at the 2-position of the ethyl group is substituted by a 2,3-dihydro-1-benzofuran-5-yl group. It is a selective antagonist for the M3 muscarinic acetylcholine receptor, which is primarily responsible for bladder muscle contractions, and is used as the hydrobromide salt in the management of urinary incontinence.1-benzofurans;
monocarboxylic acid amide;
pyrrolidines
antispasmodic drug;
muscarinic antagonist
dihydroergocristine monomesylatedihydroergocristine mesylate : The methanesulfonic acid salt of dihydroergocristine. It has been used as the for the symptomatic treatment of mental deterioration associated with cerebrovascular insufficiency and in peripheral vascular disease. It is also a component of ergoloid mesylate (codergocrine mesilate), a mixture of ergot alkaloid derivatives that is used as a vasodilator and has shown mild benefits in the treatment of vascular dementia.methanesulfonate saltalpha-adrenergic antagonist;
geroprotector;
vasodilator agent
maleic acidmaleic acid : A butenedioic acid in which the double bond has cis- (Z)-configuration.

maleic acid: RN given refers to parent cpd(Z)-isomer which is maleic acid; all RR's given refer to (Z)-isomer; (E)-isomer is fumaric acid
butenedioic acidalgal metabolite;
mouse metabolite;
plant metabolite
trichostatin atrichostatin A: chelates zinc ion in the active site of histone deacetylases, resulting in preventing histone unpacking so DNA is less available for transcription; do not confuse with TRICHOSANTHIN which is a protein; found in STREPTOMYCESantibiotic antifungal agent;
hydroxamic acid;
trichostatin
bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector
resveratroltrans-resveratrol : A resveratrol in which the double bond has E configuration.resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
cocainecocaine : A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca.

Cocaine: An alkaloid ester extracted from the leaves of plants including coca. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse. Cocaine, like amphetamines, acts by multiple mechanisms on brain catecholaminergic neurons; the mechanism of its reinforcing effects is thought to involve inhibition of dopamine uptake.
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
5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol(R,R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol : A carbotetracyclic compound that is 5,6,11,12-tetrahydrochrysene substituted by hydroxy groups at positions 2 and 8 and by ethyl groups at positions 5 and 11 (the 5R,11R-stereoisomer). It is an agonist of ER-alpha and antagonist of ER-beta receptors.

5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol: estrogen receptor ligand; structure in first source
carbotetracyclic compound;
polyphenol
estrogen receptor agonist;
estrogen receptor antagonist;
geroprotector;
neuroprotective agent
pd 173955PD 173955: inhibits src family-selective tyrosine kinase; structure in first sourcearyl sulfide;
dichlorobenzene;
methyl sulfide;
pyridopyrimidine
tyrosine kinase inhibitor
(S)-ATPA(S)-ATPA : A non-proteinogenic L-alpha-amino acid that is L-alanine in which one of the methyl hydrogens is replaced by a 5-tert-butyl-3-hydroxy-isooxazol-4-yl group.isoxazoles;
non-proteinogenic L-alpha-amino acid
metabolite
adenosine-5'-(n-ethylcarboxamide)Adenosine-5'-(N-ethylcarboxamide): A stable adenosine A1 and A2 receptor agonist. Experimentally, it inhibits cAMP and cGMP phosphodiesterase activity.

N-ethyl-5'-carboxamidoadenosine : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by an N-ethylcarboxamido group.
adenosines;
monocarboxylic acid amide
adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
diethylstilbestroldiethylstilbestrol : An olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups.

Diethylstilbestrol: A synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed)
olefinic compound;
polyphenol
antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen
eptifibatidehomodetic cyclic peptide;
macrocycle;
organic disulfide
anticoagulant;
platelet aggregation inhibitor
6-bromoindirubin-3'-oxime6-bromoindirubin-3'-oxime : A member of the class of biindoles that is indirubin substituted at position 6 by a bromo group and in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime.

6-bromoindirubin-3'-oxime: structure in first source
roflumilastaromatic ether;
benzamides;
chloropyridine;
cyclopropanes;
organofluorine compound
anti-asthmatic drug;
phosphodiesterase IV inhibitor
purvalanol a6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine: purvalanol A is the (1R)-isomer;purvalanol
wr-142,490(+)-(11R,2'S)-erythro-mefloquine : An optically active form of [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol having (+)-(11R,2'S)-erythro-configuration. An antimalarial agent, used in racemic form, which acts as a blood schizonticide; its mechanism of action is unknown.[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanolantimalarial
1,3,6-trimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dionepyrimidotriazine
enkephalin, leucineEnkephalin, Leucine: One of the endogenous pentapeptides with morphine-like activity. It differs from MET-ENKEPHALIN in the LEUCINE at position 5. Its first four amino acid sequence is identical to the tetrapeptide sequence at the N-terminal of BETA-ENDORPHIN.

Leu-enkephalin : A pentapeptide comprising L-tyrosine, glycine, glycine, L-phenylalanine and L-leucine residues joined in sequence by peptide linkages. It is an endogenous opioid peptide produced in vertebrate species, including rodents, primates and humans that results from decomposition of proenkephalin or dynorphin and exhibits antinociceptive properties.
pentapeptide;
peptide zwitterion
analgesic;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist;
neurotransmitter;
rat metabolite
1-deaza-2-chloro-n(6)-cyclopentyladenosine1-deaza-2-chloro-N(6)-cyclopentyladenosine: adenosine A(1) receptor agonist
6-bromoflavone6-bromoflavone: a high affinity ligand for the central benzodiazepine receptors; structure given in first source
aspartyl-aspartic acidAsp-Asp : A dipeptide formed from two L-aspartic acid units.

aspartyl-aspartic acid: do not confuse with cyclo(Asp-Asp)
dipeptideMycoplasma genitalium metabolite
2'-c-methyladenosine2'-C-methyladenosine: antiviral
n-desmethylflunitrazepamN-desmethylflunitrazepam: metabolite of flunitrazepam
ro 05-4082ID 690: methyl deriv of clonazepam; structure
4-(4-chloro-2-methylphenoxy)-n-hydroxybutanamide4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide: a c-FLIP inhibitor; structure in first sourcearomatic ether
LSM-42773aromatic ketone
2-(2-phenoxyethylsulfonyl)-1H-benzimidazolebenzimidazoles;
sulfoxide
Tetrahydropiperinebenzodioxoles
1,3-dichloro-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrilenaphthyridine derivative
deformylflustrabrominedeformylflustrabromine: has antineoplastic activity; isolated from Flustra folicea; structure in first sourcetryptamines
geraniol3,7-dimethylocta-2,6-dien-1-ol;
monoterpenoid;
primary alcohol
allergen;
fragrance;
plant metabolite;
volatile oil component
tropacocainetropacocaine: RN given refers to (exo)-isomer; structure
piplartinepiplartine: Antineoplastic Agent, Phytogenic; alkaloid from Piper; structure in first sourcecinnamamides;
dicarboximide
7-methoxyisoflavone7-methoxyisoflavone : A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 7.7-methoxyisoflavones
retinaldehydeall-trans-retinal : A retinal in which all four exocyclic double bonds have E- (trans-) geometry.

Retinaldehyde: A diterpene derived from the carotenoid VITAMIN A which functions as the active component of the visual cycle. It is the prosthetic group of RHODOPSIN (i.e., covalently bonded to ROD OPSIN as 11-cis-retinal). When stimulated by visible light, rhodopsin transforms this cis-isomer of retinal to the trans-isomer (11-trans-retinal). This transformation straightens-out the bend of the retinal molecule and causes a change in the shape of rhodopsin triggering the visual process. A series of energy-requiring enzyme-catalyzed reactions convert the 11-trans-retinal back to the cis-isomer.
retinal;
vitamin A
gap junctional intercellular communication inhibitor;
human metabolite;
mouse metabolite
piperinepiperine : A N-acylpiperidine that is piperidine substituted by a (1E,3E)-1-(1,3-benzodioxol-5-yl)-5-oxopenta-1,3-dien-5-yl group at the nitrogen atom. It is an alkaloid isolated from the plant Piper nigrum.benzodioxoles;
N-acylpiperidine;
piperidine alkaloid;
tertiary carboxamide
food component;
human blood serum metabolite;
NF-kappaB inhibitor;
plant metabolite
isoliquiritigeninchalconesantineoplastic agent;
biological pigment;
EC 1.14.18.1 (tyrosinase) inhibitor;
GABA modulator;
geroprotector;
metabolite;
NMDA receptor antagonist
ilepcimideilepcimide: structure given in first source; RN given refers to compound with no isomeric designationbenzodioxoles
cardamonincardamonin: found in Zingiberaceae; structure in first sourcechalcones
nerolnerol : The (2Z)-stereoisomer of 3,7-dimethylocta-2,6-dien-1-ol. It has been isolated from the essential oils from plants like lemon grass.3,7-dimethylocta-2,6-dien-1-olfragrance;
plant metabolite;
volatile oil component
cannabidiolcannabidiol : An cannabinoid that is cyclohexene which is substituted by a methyl group at position 1, a 2,6-dihydroxy-4-pentylphenyl group at position 3, and a prop-1-en-2-yl group at position 4.

Cannabidiol: Compound isolated from Cannabis sativa extract.
olefinic compound;
phytocannabinoid;
resorcinols
antimicrobial agent;
plant metabolite
buprenorphinebuprenorphine : A morphinane alkaloid that is 7,8-dihydromorphine 6-O-methyl ether in which positions 6 and 14 are joined by a -CH2CH2- bridge, one of the hydrogens of the N-methyl group is substituted by cyclopropyl, and a hydrogen at position 7 is substituted by a 2-hydroxy-3,3-dimethylbutan-2-yl group. It is highly effective for the treatment of opioid use disorder and is also increasingly being used in the treatment of chronic pain.

Buprenorphine: A derivative of the opioid alkaloid THEBAINE that is a more potent and longer lasting analgesic than MORPHINE. It appears to act as a partial agonist at mu and kappa opioid receptors and as an antagonist at delta receptors. The lack of delta-agonist activity has been suggested to account for the observation that buprenorphine tolerance may not develop with chronic use.
morphinane alkaloiddelta-opioid receptor antagonist;
kappa-opioid receptor antagonist;
mu-opioid receptor agonist;
opioid analgesic
etorphinealcohol;
morphinane alkaloid
opioid analgesic;
opioid receptor agonist;
sedative
gw96622-chloro-5-nitrobenzanilide: pretreatment of peroxisome proliferator activated receptors with GW9662 results in the irreversible loss of ligand bindingbenzamides
s 1033(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide
anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
N-cyclopropyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-thiophen-2-ylethyl]-4-thiadiazolecarboxamideorganonitrogen compound;
organooxygen compound
N-(3H-benzimidazol-5-yl)-2-furancarboxamidebenzimidazoles
3-chloro-1-cyclohexyl-4-(4-methyl-1-piperazinyl)pyrrole-2,5-dionemaleimides;
piperazines
N-[3-[[2-furanyl(oxo)methyl]amino]phenyl]-1-isoquinolinecarboxamidearomatic amide;
furans
3-amino-5-methoxy-2-benzofurancarboxylic acid methyl esterbenzofurans
N,N-dimethyl-6-phenyl-3-pyridazinaminepyridazines;
ring assembly
N-(3-ethoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamidesulfonamide
N-(1,3-benzothiazol-2-yl)-N-methylbenzamidebenzothiazoles
6-methyl-3-[[[1-(phenylmethyl)-5-tetrazolyl]methyl-(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-onequinolines
N-cyclohexyl-N,4-dimethyl-5-thieno[3,2-b]pyrrolecarboxamideorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
N-[2-(3-acetamidophenyl)-3H-benzimidazol-5-yl]acetamidebenzimidazoles
5-[3-(dimethylamino)phenyl]-N-methyl-1,3,4-thiadiazol-2-aminedialkylarylamine;
tertiary amino compound
N-[4-[oxo-(2-pyridinylamino)methyl]phenyl]-2-furancarboxamidearomatic amide;
furans
1-[(1-tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-3,4-dihydro-2H-quinolinequinolines
2-[(3-ethyl-2-quinolinyl)thio]-N-(5-methyl-3-isoxazolyl)acetamidequinolines
N-(1,3-benzodioxol-5-yl)-3-[(2-methyl-1-oxopropyl)amino]benzamideamidobenzoic acid
N-(3-dibenzofuranyl)-4-morpholinecarboxamidedibenzofurans
N-[2-methoxy-4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-furancarboxamidearomatic amide;
furans
3-(3-chlorophenyl)-1-(3-hydroxypropyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]ureaquinolines
3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-7-methoxy-1H-quinolin-2-onequinolines
2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamidebenzimidazoles
2-(ethylthio)-5-(4-methoxyphenyl)-1,3,4-oxadiazolemethoxybenzenes
3-[(2-fluorophenyl)methyl]-5-propyl-N-(pyridin-4-ylmethyl)-7-triazolo[4,5-d]pyrimidinaminetriazolopyrimidines
2-fluoro-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide1,3-oxazoles
2-[[2-(4-methoxyphenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]amino]ethanolpyrazoles;
ring assembly
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methoxyacetamidebenzothiazoles
[4-[5-tert-butyl-3-[(2-chlorophenyl)methyl]-7-triazolo[4,5-d]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanoneN-arylpiperazine
3-chloro-4-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-N,N-dimethylbenzenesulfonamidepiperazines
(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methanonecarbazoles
[4-[2-(3-chlorophenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-(2-furanyl)methanoneN-arylpiperazine
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-pyrimidinyl)-3-piperidinecarboxamidebenzodioxine
4-methyl-N-(2-methyl-5-tetrazolyl)benzamidebenzamides
N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]-5-tetrazolyl]phenyl]-2-furancarboxamidearomatic amide;
furans
8-(butan-2-ylthio)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dioneoxopurine
9-oxo-N-(3-pyridinylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamidearomatic amide;
quinolines
2-[[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]thio]-1-(4-morpholinyl)ethanonepyridazines;
ring assembly
N-[3-chloro-4-(4-morpholinyl)phenyl]-2-furancarboxamidearomatic amide;
furans
2-[[1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetic acid ethyl esterpyrazoles;
ring assembly
N-[2-(4-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]anilino)-2-oxoethyl]-2-furancarboxamidepeptide
2-[[5-(4-chlorophenyl)-1-(2-methoxyethyl)-2-imidazolyl]thio]-N-(thiophen-2-ylmethyl)acetamideimidazoles
tropisetrontropisetron : An indolyl carboxylate ester obtained by formal condensation of the carboxy group of indole-3-carboxylic acid with the hydroxy group of tropine.

Tropisetron: An indole derivative and 5-HT3 RECEPTOR antagonist that is used for the prevention of nausea and vomiting.
indolyl carboxylic acid
(2'-(benzyloxycarbonylaminomethyl)biphenyl-2-carboxylic acid 2-(2-pyridyl)ethylamide)biphenyls
tram 34TRAM 34: inhibits IKCa1; structure in first sourceorganochlorine compound
l 364373benzodiazepine
uk 78282diarylmethane
cocaine hydrochloridecocaine hydrochloride : The hydrochloride salt of cocaine. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse.hydrochloridecentral nervous system stimulant;
local anaesthetic
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanolalkylbenzene
ipratropium bromide anhydrous
ipratropium
methamilane methiodide
n(6)-cyclopentyladenosine
5-bromo-3-[[2-(4-cyclohexyl-1-piperazinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl esterindolyl carboxylic acid
2-[[2-(3-methoxyphenoxy)-1-oxoethyl]amino]benzamideamidobenzoic acid
4-(3-amino-5-bromo-2-benzofuranyl)-4-oxobutanoic acid methyl esterbenzofurans
2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] esteralpha-amino acid ester
5,6-dimethoxy-3-[[(3-methoxyphenyl)-oxomethyl]amino]-1H-indole-2-carboxylic acid methyl esterindolyl carboxylic acid
4-(2-furanyl)-3-methyl-5-(4-methylphenyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-onepyrrolopyrazole
3-(3-benzoyl-6-chloro-4,5-dihydroxy-7-benzofuranyl)pentane-2,4-dionearomatic ketone
3-phenyl-1H-cinnolin-4-onepyridazines;
ring assembly
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamideoxadiazole;
ring assembly
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamidearomatic amide;
heteroarene
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropanamideoxadiazole;
ring assembly
1-[2-[cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamideorganonitrogen compound;
organooxygen compound
N-(3,4-dihydro-1H-[1,4]thiazino[4,3-a]benzimidazol-8-yl)pentanamidebenzimidazoles
4-[[1-oxo-2-(3-oxo-2-thiomorpholinyl)ethyl]amino]benzoic acid ethyl esteramidobenzoic acid
5-(3-methoxyphenyl)-N-(2-oxolanylmethyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamidepyrimidines
chlorprothixene(Z)-chlorprothixene : A chlorprothixene in which the double bond adopts a (Z)-configuration.

Chlorprothixene: A thioxanthine with effects similar to the phenothiazine antipsychotics.
chlorprothixene
dienestroldienestrol : An olefinic compound that is hexa-2,4-diene substituted by 4-hydroxyphenyl groups at positions 3 and 4 respectively.

Dienestrol: A synthetic, non-steroidal estrogen structurally related to stilbestrol. It is used, usually as the cream, in the treatment of menopausal and postmenopausal symptoms.
mercaptopurinemercaptopurine : A member of the class of purines that is 6,7-dihydro-1H-purine carrying a thione group at position 6. An adenine analogue, it is used in the treatment of acute lymphocytic leukemia (ALL), chronic myeloid leukemia (CML), Crohn's disease, and ulcerative colitis.

Mercaptopurine: An antimetabolite antineoplastic agent with immunosuppressant properties. It interferes with nucleic acid synthesis by inhibiting purine metabolism and is used, usually in combination with other drugs, in the treatment of or in remission maintenance programs for leukemia.

purine-6-thiol : A thiol that is the tautomer of mercaptopurine.
aryl thiol;
purines;
thiocarbonyl compound
anticoronaviral agent;
antimetabolite;
antineoplastic agent
etodolac, (-)-isomer(R)-etodolac : The R-enantiomer of etodolac. It is inactive, in contrast to the enantiomer, (S)-etodolac, which is a preferential inhibitor of cyclo-oxygenase 2 and a non-steroidal anti-inflammatory. The racemate is commonly used for the treatment of rheumatoid arthritis and osteoarthritis, and for the alleviation of postoperative pain.etodolac
sb 366791N-(3-methoxyphenyl)-4-chlorocinnamanilide: a TRPV1 antagonist; structure in first source
4-methoxy-N-(5-methyl-3-isoxazolyl)benzamidebenzamides
2,4-difluoro-N-[[(5-methyl-1H-pyrazol-3-yl)amino]-oxomethyl]benzamidecarbonyl compound;
organohalogen compound
bemesetron
1-(4-amino-2-methyl-3-quinolinyl)ethanoneaminoquinoline
N-[4-(diethylamino)phenyl]-2-furancarboxamidearomatic amide;
furans
7,8,3'-trihydroxyflavone7,8,3'-trihydroxyflavone: a potent small molecule TrkB receptor agonist that protects spiral ganglion neurons from degeneration both in vitro and in vivo
phenylthioureaN-phenylthiourea : A member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by a phenyl group. Depending on their genetic makeup, humans find it either very bitter-tasting or tasteless. This unusual property resulted in N-phenylthiourea being used in paternity testing prior to the advent of DNA testing.

Phenylthiourea: Phenylthiourea is a THIOUREA derivative containing a phenyl ring. Depending on their genetic makeup, humans can find it either bitter-tasting or tasteless.
thioureasEC 1.14.18.1 (tyrosinase) inhibitor
4-methyl-N-[4-(4-morpholinyl)phenyl]benzamidebenzamides
(e)-3-(4-t-butylphenyl)-n-(2,3-dihydrobenzo(b)(1,4)dioxin-6-yl)acrylamide3-(4-t-butylphenyl)-N-(2,3-dihydrobenzo(b)(1,4)dioxin-6-yl)acrylamide: a vanilloid receptor 1 antagonist and antihyperalgesic agent; structure in first source
sch-202676SCH-202676: An allosteric modulator of both agonist and antagonist binding to G protein-coupled receptors; structure in first source
levosulpiride(S)-(-)-sulpiride : An optically active form of sulpiride having (S)-configuration. The active enantiomer of the racemic drug sulpiride. Selective D2-like dopamine antagonist (Ki values are ~ 0.015. ~ 0.013, 1, ~ 45 and ~ 77 muM at D2, D3, D4, D1 and D5 receptors respectively).sulpirideantidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist
quinuclidinyl benzilate
6-methoxy-2-(4-methoxyphenyl)-1-benzopyran-4-oneether;
flavonoids
6-methylflavone6-methylflavone: structure in first source
2-methoxy-N-(2-pyridinyl)benzamidebenzamides
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-3-furamidebenzodioxine
1-(1,3-benzodioxol-5-yl)-4-hydroxy-3-pyrazolecarboxylic acid ethyl esterbenzodioxoles
ceefourin 1ceefourin 1: inhibits multidrug resistance protein 4; structure in first source
4-(benzylsulfanyl)thieno[2,3-d]pyrimidine4-(benzylsulfanyl)thieno[2,3-d]pyrimidine : A thienopyrimidine that is thieno[2,3-d]pyrimidine which is substituted at position 4 by a benzylsulfanediyl group.aryl sulfide;
benzenes;
thienopyrimidine
N-tert-butyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinaminepyrazoles;
ring assembly
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxo-3-quinazolinyl)acetamidequinazolines
N-(5-methyl-3-isoxazolyl)-1,3-benzodioxole-5-carboxamidebenzodioxoles
5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl estermethoxybenzenes;
substituted aniline
vu0038882VU0038882: structure in first source
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamidebenzamides
N-(4-methoxyphenyl)-2-benzofurancarboxamidearomatic amide;
furans
3,4,5-trimethoxycinnamic acid3,4,5-trimethoxycinnamic acid : A methoxycinnamic acid with three methoxy substituents at the 3-, 4- and 5-positions.
lobeline
2-(4-hydroxyanilino)-1,4-naphthoquinone2-(4-hydroxyanilino)-1,4-naphthoquinone: structure in first source
5-amino-1-(2-pyridinyl)-4-pyrazolecarboxylic acid ethyl esterpyrazolopyridine
1-cyclohexyl-3-(2-phenylethyl)ureabenzenes
nsc185058NSC185058: an ATG4B antagonist
2-[(2-fluorophenyl)methylthio]-5-(4-methylphenyl)-1,3,4-oxadiazolearyl sulfide
N-[3-(6-imidazo[2,1-b]thiazolyl)phenyl]butanamideimidazoles
vu0099704VU0099704: an antagonist of protease activated receptor 4 (PAR-4); structure in first source
N-(3,4-dimethoxyphenyl)-4-methoxybenzamidebenzamides
cid755673CID755673: a potent and selective inhibitor of protein kinase D; structure in first sourcebenzofurans
2-(4-chlorophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazoleorganofluorine compound
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-furancarboxamidearomatic amide;
furans
1-(4,5-dihydrothiazol-2-yl)-3-phenylureaureas
4-methyl-N-[1-[2-(1-pyrrolidinyl)ethyl]-2-benzimidazolyl]benzamidebenzimidazoles
2-(phenylmethylthio)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazolearyl sulfide
2-(2-chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanonestilbenoid
5-bromo-N-(4-propan-2-ylphenyl)-2-furancarboxamidearomatic amide;
furans
6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-aminebenzoxazole
2-methyl-N-(2-naphthalenyl)-3-furancarboxamidenaphthalenes
2-amino-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid propan-2-yl esteraromatic amine;
isopropyl ester;
tertiary carboxamide;
thiophenes
N-(1,3-benzodioxol-5-yl)-5-methyl-2-furancarboxamidebenzodioxoles
1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)ureabenzodioxine
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-methylbenzamideindoles
2-[(2-chlorophenoxy)methyl]benzoic acidbenzoic acids
4,4-dicarboxy-5-pyridoxylproline
epibatidine
5-(4-propan-2-ylphenyl)-2H-tetrazoletetrazoles
3-amino-n-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide3-amino-N-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide: structure in first source
2-bromo-N-[3-(1-oxopropylamino)phenyl]benzamidebenzamides
N-(1,3-benzodioxol-5-yl)-4-(4-morpholinylmethyl)benzamidebenzodioxoles
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenoxyacetamidesulfonamide
N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamidearomatic amide
3-(2-methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazoleoxadiazole;
ring assembly
N-(2-methyl-5-tetrazolyl)-2-naphthalenecarboxamidenaphthalenecarboxamide
flunarizineFlunarizine: Flunarizine is a selective calcium entry blocker with calmodulin binding properties and histamine H1 blocking activity. It is effective in the prophylaxis of migraine, occlusive peripheral vascular disease, vertigo of central and peripheral origin, and as an adjuvant in the therapy of epilepsy.diarylmethane
eszopicloneeszopiclone : The (5S)- (active) enantiomer of zopiclone. Unlike almost all other hypnotic sedatives, which are approved only for the relief of short-term (6-8 weeks) insomnia, eszopiclone is approved by the U.S. Food and Drug Administration for long-term use.

Eszopiclone: A pyridine, pyrazine, and piperazine derivative that is used as a HYPNOTIC AND SEDATIVE in the treatment of INSOMNIA.
zopiclonecentral nervous system depressant;
sedative
curcumincurcumin : 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.

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.
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
4-(2-naphthalenyloxymethyl)-2-thiazolaminenaphthalenes
N-(2-pyridinyl)-2-[[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]acetamidearomatic amide
2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamidesulfonamide
3-(n-benzylsulfamoyl)-4-bromo-n-(4-bromophenyl)benzamide3-(N-benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide: stimulates RAD51 DNA-binding activity to promote cancer cell death; structure in first source
2-bromo-N-[3-(1-oxobutylamino)phenyl]benzamidebenzamides
n-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamideN-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide: inhibits the betaine-GABA transporter 1; structure in first source
4-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid ethyl esterbenzamides
5-(3,4-dimethoxyphenyl)-2-phenyl-4-thieno[2,3-d][1,3]oxazinonedimethoxybenzene
N-[2-(3-pyridinyl)-3H-benzimidazol-5-yl]-2-furancarboxamidebenzimidazoles
5-(4-methylphenyl)-N-(3-pyridinylmethyl)-3-isoxazolecarboxamidearomatic amide;
heteroarene
N-(4-cyano-2-methyl-3-pyrazolyl)-5-(4-methylphenyl)-3-isoxazolecarboxamidearomatic amide;
heteroarene
[4-(diphenylmethyl)-1-piperazinyl]-[5-thiophen-2-yl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanonediarylmethane
hc 0300312-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-isopropylphenyl)acetamide: a TRPA1 channel blocker
2-[(4-bromophenoxy)methyl]-5-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxazolecarbonitriledimethoxybenzene
benztropinebenzatropine : Tropane in which a hydrogen at position 3 is substituted by a diphenylmethoxy group (endo-isomer). An acetylcholine receptor antagonist, it is used (particularly as its methanesulphonate salt) in the treatment of Parkinson's disease, and to reduce parkinsonism and akathisia side effects of antipsychotic treatments.

Benztropine: A centrally active muscarinic antagonist that has been used in the symptomatic treatment of PARKINSON DISEASE. Benztropine also inhibits the uptake of dopamine.
diarylmethane
N-(1,2,4-triazol-4-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamideorganosulfur heterocyclic compound
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-pyridinecarboxamidepyridinecarboxamide
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-5-methyl-3-isoxazolecarboxamidemethoxybenzenes
5-[[[4-(4-fluorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-3-thiophen-2-yl-1,2,4-oxadiazoletriazoles
2-(4-chlorophenyl)-N-[[2-(4-morpholinyl)anilino]-sulfanylidenemethyl]acetamidethioureas
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-thiophenecarboxamidebenzothiazoles
2,4-dichloro-5-(diethylsulfamoyl)-N-(1,3,4-thiadiazol-2-yl)benzamidesulfonamide
4-[[diethylamino(oxo)methyl]amino]benzoic acid ethyl esterbenzoate ester
N-(2,3-dihydro-1H-inden-5-yl)-5-methyl-2-pyrazinecarboxamideindanes
Src Inhibitor-1Src Inhibitor-1 : A member of the class of quinazolines that is quinazoline which is substituted at position 4 by a p-phenoxyanilino group and at positions 6 and 7 by methoxy groups. It is a potent, competitive dual site (both the ATP- and peptide-binding) Src kinase inhibitor. Src Inhibitor-1 is one of the 'gold standards' for Src kinase inhibition that has been shown to use PP1 or PP2 in parallel with Src-I1 to inhbit Src family kinases.aromatic ether;
polyether;
quinazolines;
secondary amino compound
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
cinnarizineCinnarizine: A piperazine derivative having histamine H1-receptor and calcium-channel blocking activity with vasodilating and antiemetic properties but it induces PARKINSONIAN DISORDERS.diarylmethane;
N-alkylpiperazine;
olefinic compound
anti-allergic agent;
antiemetic;
calcium channel blocker;
geroprotector;
H1-receptor antagonist;
histamine antagonist;
muscarinic antagonist
2-amino-6-ethyl-3-(3-isoxazolyl)-7-methoxy-1-benzopyran-4-onechromones
sulindacsulindac : A monocarboxylic acid that is 1-benzylidene-1H-indene which is substituted at positions 2, 3, and 5 by methyl, carboxymethyl, and fluorine respectively, and in which the phenyl group of the benzylidene moiety is substituted at the para position by a methylsulfinyl group. It is a prodrug for the corresponding sulfide, a non-steroidal anti-inflammatory drug, used particularly in the treatment of acute and chronic inflammatory conditions.

Sulindac: A sulfinylindene derivative prodrug whose sulfinyl moiety is converted in vivo to an active NSAID analgesic. Specifically, the prodrug is converted by liver enzymes to a sulfide which is excreted in the bile and then reabsorbed from the intestine. This helps to maintain constant blood levels with reduced gastrointestinal side effects.
monocarboxylic acid;
organofluorine compound;
sulfoxide
analgesic;
antineoplastic agent;
antipyretic;
apoptosis inducer;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
prodrug;
tocolytic agent
cis-resveratrolcis-resveratrol : The cis-stereoisomer of resveratrol.resveratrol
zucapsaicinmethoxybenzenes;
phenols
capsaicinALGRX-4975: an injectable capsaicin (TRPV1 receptor agonist) formulation for longlasting pain relief

capsaicinoid : A family of aromatic fatty amides produced as secondary metabolites by chilli peppers.
capsaicinoidnon-narcotic analgesic;
TRPV1 agonist;
voltage-gated sodium channel blocker
enclomipheneEnclomiphene: The trans or (E)-isomer of clomiphene.
fluoxetine(S)-fluoxetine : An N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine that has S configuration. [The antidepressant drug fluoxetine is a racemate comprising equimolar amounts of (R)- and (S)-fluoxetine].N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amineantidepressant;
serotonin uptake inhibitor
geranyl acetategeranyl acetate : A monoterpenoid that is the acetate ester derivative of geraniol.

geranyl acetate: constituted about 90% of the palmarosa oil
acetate ester;
monoterpenoid
plant metabolite
4-amino-2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylthio]-5-pyrimidinecarboxylic acid ethyl esterpyrimidinecarboxylic acid
1-(1h-indol-3-ylcarbonyl)-n-(4-methoxybenzyl)formamide1-(1H-Indol-3-ylcarbonyl)-N-(4-methoxybenzyl)formamide: structure in first source
2-chloro-N-heptyl-N-(3-methylphenyl)acetamideanilide
nipecotic acid(R)-nipecotic acid : The (R)-enantiopmer of nipecotic acid.amino acid zwitterion;
nipecotic acid
xl147aromatic amine;
benzothiadiazole;
quinoxaline derivative;
sulfonamide
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
amn082N,N'-bis(diphenylmethyl)ethane-1,2-diamine : A diamine that is ethane-1,2-diamine in which both amino groups are substituted by diphenylmethyl groups. It is an allosteric agonist of the metabotropic glutamate receptor 7 (mGluR7).benzenes;
diamine;
diarylmethane;
secondary amino compound
metabotropic glutamate receptor agonist;
neuroprotective agent
1-[(3,4-dichlorophenyl)methyl]indole-2,3-dioneindoles
2-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl esteramidobenzoic acid
N-[4-[[2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]phenyl]acetamideacetamides;
anilide
2-ethoxy-3-pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] esteraromatic carboxylic acid;
pyridines
N-(3,4-dihydro-2H-pyrrol-5-yl)-5-(2-furanyl)-1,3,4-oxadiazol-2-aminedicarboximide;
heterocyclic compound
3-[[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-onebenzotriazines
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[2-(4-morpholinyl)ethyl]acetamidemorpholines;
pyrimidone;
secondary carboxamide;
tertiary amino compound
2-[[3-(4-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetic acid ethyl esterorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
2-[[oxo-(2,3,4,5,6-pentafluorophenyl)methyl]amino]benzoic acid ethyl esterbenzamides
N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-2-thiazolaminearomatic ether
2-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl esterring assembly;
thiophenes
N-[3-[[2-(2,6-dimethylphenoxy)-1-oxoethyl]amino]phenyl]-2-furancarboxamidearomatic amide;
furans
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-dibenzofuransulfonamidedibenzofurans
N-(3-acetylphenyl)-5,7-dimethyl-2-pyrazolo[1,5-a]pyrimidinecarboxamidearomatic amide
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanonebenzodioxine
2-((3-(2,3-dichlorophenoxy)propyl)amino)ethanol2-((3-(2,3-dichlorophenoxy)propyl)amino)ethanol: apoptosis-inducing agent that down-regulates Bcl-XL in cancer cells; structure in first sourcedichlorobenzene
N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]-4-morpholinecarboxamidemorpholines
5,6,7,8-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)-4h-1-benzopyran-4-one5,6,7,8-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)-4H-1-benzopyran-4-one: structure in first source
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethyl-1-pyrazolyl)benzamidepyrazoles;
ring assembly
[2-[(2-bromophenyl)methoxy]phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanoneN-arylpiperazine
4-(4-methyl-1-piperidinyl)-5-phenyl-2-(3-pyridinyl)thieno[2,3-d]pyrimidineorganonitrogen heterocyclic compound;
thienopyrimidine
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(2,3-dihydroindol-1-yl)ethanoneindoles
1-[2-(4-methoxyphenoxy)ethylthio]-[1,2,4]triazolo[3,4-b][1,3]benzothiazoletriazolobenzothiazole
thioguanine anhydrousThioguanine: An antineoplastic compound which also has antimetabolite action. The drug is used in the therapy of acute leukemia.

tioguanine : A 2-aminopurine that is the 6-thiono derivative of 2-amino-1,9-dihydro-6H-purine. Incorporates into DNA and inhibits synthesis. Used in the treatment of leukaemia.
2-aminopurinesanticoronaviral agent;
antimetabolite;
antineoplastic agent
digoxindigoxin : A cardenolide glycoside that is digitoxin beta-hydroxylated at C-12. A cardiac glycoside extracted from the foxglove plant, Digitalis lanata, it is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation, but the margin between toxic and therapeutic doses is small.

Digoxin: A cardiotonic glycoside obtained mainly from Digitalis lanata; it consists of three sugars and the aglycone DIGOXIGENIN. Digoxin has positive inotropic and negative chronotropic activity. It is used to control ventricular rate in ATRIAL FIBRILLATION and in the management of congestive heart failure with atrial fibrillation. Its use in congestive heart failure and sinus rhythm is less certain. The margin between toxic and therapeutic doses is small. (From Martindale, The Extra Pharmacopoeia, 30th ed, p666)
cardenolide glycoside;
steroid saponin
anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
malachite green
capsazepinecapsazepine : A benzazepine that is 2,3,4,5-tetrahydro-1H-2-benzazepine which is substituted by hydroxy groups at positions 7 and 8 and on the nitrogen atom by a 2-(p-chlorophenyl)ethylaminothiocarbonyl group. A synthetic analogue of capsaicin, it was the first reported capsaicin receptor antagonist.

capsazepine: modified capsaicin molecule; a capsaicin receptor antagonist
benzazepine;
catechols;
monochlorobenzenes;
thioureas
capsaicin receptor antagonist
4-bromohomoibotenic acid, (rs)-isomer
tamoxifen citratecitrate saltangiogenesis inhibitor;
anticoronaviral agent
tamoxifenstilbenoid;
tertiary amino compound
angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator
tetraoctylammonium bromidetetraoctylammonium bromide: a phase transfer reagent
8-azidoadenosine 5'-triphosphate
2-(4-chlorophenyl)guanidineorganochlorine compound
methyl-thiohydantoin-tryptophanmethyl-thiohydantoin-tryptophan: structure in first sourceorganonitrogen compound;
organooxygen compound
4-ethyl-2-methoxy-3-phenyl-3,3a,9,9a-tetrahydropyrrolo[2,3-b]quinoxalinepyrroline
1-ethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-2-propanolmethoxybenzenes
5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamidepurine nucleoside
alanyl-alanyl-alanyl-alanine, (d-ala-l-ala-l-ala-l-ala)-isomeraromatic amide;
furans
1-(1-benzotriazolyl)-3-(10-phenothiazinyl)-2-propanolphenothiazines
2,2'-[3-(2-methoxyphenyl)-1,2-propanediyl]bis(1H-benzimidazole)1-(2,3-dibenzimidazol-2-ylpropyl)-2-methoxybenzene: a Syk inhibitor with anti-inflammatory activity; structure in first sourcebenzimidazoles
6-amino-4-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-4-methoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrilepiperazines;
pyranopyrazole
1-(4-methoxyphenyl)-N,N-dipropyl-4-pyrazolo[3,4-d]pyrimidinaminepyrazoles;
ring assembly
2-[(9-tert-butyl-1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)thio]-N-cyclohexylacetamidetetrahydropyridine
N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamideorganonitrogen compound;
organooxygen compound
N-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamidebenzamides
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-propan-2-yloxybenzamidebenzodioxine
2-[[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]acetic acid ethyl esterpyrimidines
N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-pyrazinecarboxamidebenzothiazoles
N-(1,3-benzothiazol-2-yl)-2-oxolanecarboxamidebenzothiazoles
2-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl]isoindole-1,3-dionephthalimides
2-[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dionepyrroles
hirsutine, (16e,20beta)-isomeralkaloidmetabolite
thiopentalthiopental : A barbiturate, the structure of which is that of 2-thiobarbituric acid substituted at C-5 by ethyl and sec-pentyl groups.

Thiopental: A barbiturate that is administered intravenously for the induction of general anesthesia or for the production of complete anesthesia of short duration.
barbituratesanticonvulsant;
drug allergen;
environmental contaminant;
intravenous anaesthetic;
sedative;
xenobiotic
hmr 3647
vicrivirocvicriviroc: structure in first source(trifluoromethyl)benzenes
l 783281L 783281: structure in first source
glycylprolineGly-Pro : A dipeptide consisting of L-proline having a glycyl residue attached to its alpha-amino group.dipeptide;
dipeptide zwitterion
metabolite
zephiran
4-diphenylacetoxy-n-methylpiperidine methiodide4-DAMP methiodide : A quaternary ammonium salt obtained by combining equimolar amounts of 4-diphenylacetoxy-N-methylpiperidine and iodomethane.iodide salt;
quaternary ammonium salt
cholinergic antagonist;
muscarinic antagonist
norcisapridenorcisapride: metabolite of cisapridebenzamides
2-[(2-ethoxyphenoxy)-phenylmethyl]morpholinearomatic ether
6-methyl-2-(phenylethynyl)pyridine2-methyl-6-(phenylethynyl)pyridine : A methylpyridine that coinsists of 2-methylp[yridine bearing an additional phenylethynyl group at position 6. Potent and highly selective non-competitive antagonist at the mGlu5 receptor subtype (IC50 = 36 nM) and a positive allosteric modulator at mGlu4 receptors. Centrally active following systemic administration in vivo. Reverses mechanical hyperalgesia in the inflamed rat hind paw.

6-methyl-2-(phenylethynyl)pyridine: an mGlu5 antagonist
acetylenic compound;
methylpyridines
anxiolytic drug;
metabotropic glutamate receptor antagonist
bms 387032N-(5-(((5-(1,1-dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-piperidinecarboxamide: a CDK2 inhibitor with antineoplastic activity; structure in first source

N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of piperidine-4-carboxylic acid with the amino group of 5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-amine. It is an ATP-competitive inhibitor of CDK2, CDK7 and CDK9 kinases and exhibits anti-cancer properties.
1,3-oxazoles;
1,3-thiazoles;
organic sulfide;
piperidinecarboxamide;
secondary carboxamide
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
dapiprazoleN-alkylpiperazine;
N-arylpiperazine;
pyridines
alpha-adrenergic antagonist;
antipsychotic agent;
miotic;
ophthalmology drug
altanserinaltanserin: structure given in first source; a radioligand for PET studies of serotonin S2 receptorsquinazolines
racloprideRaclopride: A substituted benzamide that has antipsychotic properties. It is a dopamine D2 receptor (see RECEPTORS, DOPAMINE D2) antagonist.salicylamides
panadiplonpanadiplon: structure given in first source; RN from Toxlit
zuclomifene citrate
meclonazepam
orlistatorlistat : A carboxylic ester resulting from the formal condensation of the carboxy group of N-formyl-L-leucine with the hydroxy group of (3S,4S)-3-hexyl-4-[(2S)-2-hydroxytridecyl]oxetan-2-one. A pancreatic lipase inhibitor, it is used as an anti-obesity drug.

Orlistat: A lactone derivative of LEUCINE that acts as a pancreatic lipase inhibitor to limit the absorption of dietary fat; it is used in the management of obesity.
beta-lactone;
carboxylic ester;
formamides;
L-leucine derivative
anti-obesity agent;
bacterial metabolite;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor
dexoxadrol
mitragyninemonoterpenoid indole alkaloid
anatoxin aanatoxin I: found mainly in ANABAENA; was indexed to cyanobacterial toxin (MARINE TOXINS). isolated from many salt-tolerant freshwater cyanobacteria
fk 838FK 838: an adenosine subtype-1 receptor antagonist; structure given in first source
7-chloro-thiokynurenate7-chlorothiokynurenic acid: glycine site antagonist of NMDA receptor
triptoreliniodophenpropit: structure given in first sourceorganoiodine compound
sf 2370K-252a : A organic heterooctacyclic compound that is a potent inhibitor of protein kinase C and is isolated from Nocardiopsis sp K-252a

SF 2370: indolocarbazole isolated from Actinomadura sp. SF-2370; structure given in first source
bridged compound;
gamma-lactam;
methyl ester;
organic heterooctacyclic compound
antimicrobial agent;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
tropomyosin-related kinase B receptor antagonist
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide2-chloro-N(6)-(3-iodobenzyl)adenosine-5'-N-methyluronamide: structure given in first source
phorbol 12-phenylacetate 13-acetate 20-homovanillatephorbol 12-phenylacetate 13-acetate 20-homovanillate: behavior contrasts with resiniferatoxin and capsaicin in the lack of cooperativity in binding vanilloid (capsaicin) receptor
u-504883,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)-cyclohexyl)-benzeneacetamide, (trans)-Isomer: A non-peptide, kappa-opioid receptor agonist which has also been found to stimulate the release of adrenocorticotropin (ADRENOCORTICOTROPIC HORMONE) via the release of hypothalamic arginine vasopressin (ARGININE VASOPRESSIN) and CORTICOTROPIN-RELEASING HORMONE. (From J Pharmacol Exp Ther 1997;280(1):416-21)

U50488 : A monocarboxylic acid amide obtained by formal condensation between the carboxy group of 3,4-dichlorophenylacetic acid and the secondary amino group of (1R,2R)-N-methyl-2-(pyrrolidin-1-yl)cyclohexanamine
dichlorobenzene;
monocarboxylic acid amide;
N-alkylpyrrolidine
analgesic;
antitussive;
calcium channel blocker;
diuretic;
kappa-opioid receptor agonist
sch 23390SCH 23390 : A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1, a methyl substituent at position 3, a chloro substituent at position 7 and a hydroxy substituent at position 8.

SCH 23390: a selective D1-receptor antagonist
benzazepine
6-thioinosine-5'-triphosphateorganic molecule
paynantheinepaynantheine: structure in first source
metazocine
lamifibanlamifiban: a nonpeptide glycoprotein IIb/IIIa antagonist; prevents platelet loss during experimental cardiopulmonary bypassN-acylglycine
bp 897BP 897: a dopamine D3 receptor agonist; structure in first sourcenaphthalenecarboxamide
tandutinibaromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
vx-745aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine
anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
adenosine-5'-(N-propyl)carboxamideadenosine-5'-(N-propyl)carboxamide : A monocarboxylic acid amide that is the propyl amide of adenosine 5'-carboxylic acid.adenosines;
monocarboxylic acid amide
ym348YM348: 5-HT2C receptor agonist & an antiobesity drug
ro 60-0175(2S)-1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine : A 1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine that has S configuration. A selective agonist for both the 5-hydroxytryptamine 2B (5-HT2B) and 5-hydroxytryptamine 2C (5-HT2C)serotonin receptor subtypes, commonly used as fumarate salt.1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine5-hydroxytryptamine 2B receptor agonist;
5-hydroxytryptamine 2C receptor agonist
isothazisothaz: muscimol antagonist
prucaloprideprucalopride: a 5-HT4 agonist enterokinetic compoundbenzamides
ketazocineketazocine: RN given refers to parent cpd(2S-(2alpha,6alpha,11S*))-isomer
dasatinibdasatinib (anhydrous) : An aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a 4-(2-hydroxyethyl)piperazin-1-yl group, and in which the carboxylic acid group has been formally condensed with 2-chloro-6-methylaniline to afford the corresponding amide. A multi-targeted kinase inhibitor, it is used, particularly as the monohydrate, for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN).

N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide: a dasatinib prodrug; structure in first source
1,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound
anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
ha 1100HA 1100: intracellular calcium antagonist
abt 594
7-epi-hydroxystaurosporine
erysolin
arginyl-glycyl-aspartyl-phenylalanine
acetyl-arginyl-glycyl-aspartyl-serinamide
zd 6474CH 331: structure in first sourcearomatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine
antineoplastic agent;
tyrosine kinase inhibitor
dynorphin (1-17)
pm 1000PM 1000: structure given in first source; RN given refers to (R)-isomer; entantiomers demonstrate opposite pharmacological effects at the same receptor
ici 199441acetamides
dynorphin (1-11)
2-(4-(2-carboxyethyl)phenethylamino)-5'-n-ethylcarboxamidoadenosine2-(4-(2-carboxyethyl)phenethylamino)-5'-N-ethylcarboxamidoadenosine: A2 adenosine receptor agonist; structure given in first source

CGS-21680 : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and the hydrogen at position 2 on the adenine is replaced by a 4-(2-carboxyethyl)phenethylamino group.
adenosines;
dicarboxylic acid monoamide;
monocarboxylic acid
adenosine A2A receptor agonist;
anti-inflammatory agent
7-(2-methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidinemethoxybenzenes
n-(indol-3-ylglyoxylyl)benzylamineN-(indol-3-ylglyoxylyl)benzylamine: structure given in first source
N-(2-furanylmethyl)-6-(3-methoxyphenyl)-N-methyl-4-quinazolinaminequinazolines
N-(1,3-benzodioxol-5-yl)-2-(5-methyl-2-furanyl)-3-imidazo[1,2-a]pyrimidinaminebenzodioxoles
2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl estermethoxybenzenes
(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-morpholinyl)methanonenaphthalenes
2-(2-methoxyphenyl)-1-oxo-N-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-4-isoquinolinecarboxamideN-acyl-amino acid
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-propanesulfonamidequinolines
N-[4-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-2-furancarboxamidearomatic amide;
furans
6-[4-(3-chlorophenyl)-1-piperazinyl]-3-cyclohexyl-1H-pyrimidine-2,4-dionepiperazines
1-(2-methoxyethyl)-2-[(4-methylphenoxy)methyl]benzimidazolebenzimidazoles
4-hydroxy-1-[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) esterpeptide
1,7,7-trimethyl-9-oxo-N-(2-oxolanylmethyl)-8H-furo[3,2-f][1]benzopyran-2-carboxamide1-benzopyran
5-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-pyridinecarboxamide1,3-oxazoles
5-ethyl-N-[2-(2-phenyl-4-thiazolyl)ethyl]-2-thiophenesulfonamidethiazoles
2-(2,4-dimethoxyanilino)-N-[3-(4-methyl-1-piperazinyl)propyl]-4-quinolinecarboxamidequinolines
2-[(5-bromo-2-thiophenyl)sulfonyl-methylamino]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamideorganonitrogen compound;
organooxygen compound
N-(2-methoxyethyl)-5-(3-methoxyphenyl)-3-isoxazolecarboxamidemethoxybenzenes
N-[4-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-1-oxo-2-isoquinolinyl]-2-pyrazinecarboxamidepiperazines
2-(1,3-benzodioxol-5-yl)-3-hydroxy-1,2-dihydroquinazolin-4-onequinazolines
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxo-1-phthalazinyl)acetamidephthalazines
N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]-1,3-benzodioxole-5-carboxamidepiperazines;
pyridines
[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(7-methoxy-2-furo[2,3-b]quinolinyl)methanoneorganic heterotricyclic compound;
organonitrogen heterocyclic compound;
oxacycle
3,4-dihydro-2H-quinolin-1-yl-[5-(4-methoxyphenyl)-3-isoxazolyl]methanonequinolines
3-(4-methoxyphenyl)-3-(1-pyrrolyl)-N-(2-thiazolyl)propanamidemethoxybenzenes
N-(4-ethoxyphenyl)-2-(hydroxymethyl)benzamidebenzamides
[4-(2-pyrimidinyl)-1-piperazinyl]-[1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinyl]methanonepiperazines;
pyridines
N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-2-[(1-ethyl-2-oxo-4-quinolinyl)oxy]acetamidepiperazines
2-(7-methyl-4-oxo-3-furo[3,4]pyrrolo[3,5-c][1,2,4]triazinyl)acetic acid methyl esteralpha-amino acid ester
N,3-diphenyl-1-pyrrolidinecarboxamidepyrrolidines
N-(3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamidearomatic amide;
heteroarene
3-(4-methylphenyl)-N-phenyl-1-pyrrolidinecarboxamidepyrrolidines
N-butan-2-yl-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamidearomatic amide;
quinolines
2-(2-methylanilino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-onequinazolines
N-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamidearomatic amide;
heteroarene
N-[3-(cyclohexylthio)propyl]-1-[(4-methyl-5-thieno[3,2-b]pyrrolyl)-oxomethyl]-3-piperidinecarboxamideN-acylpiperidine
N-[4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]phenyl]-2-oxolanecarboxamideamidobenzoic acid
3-hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-onequinazolines
8-(2-propoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-onequinolines
3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-onearomatic ketone
2,3-dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline2,3-dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline: structure given in first source; neuroprotectant for cerebral ischemia; AMPA receptor antagonistnaphthalenes;
sulfonic acid derivative
n-(1-methyl-5-indolyl)-n'-(3-methyl-5-isothiazolyl)urea1-(1-methylindol-5-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea : A member of ther class of ureas that is urea in which a hydrogen attached to one of the nitrogens has been replaced by an N-methylindol-5-yl group, while a hydrogen attached to the other nitrogen has been replaced by a 3-methyl-1,2-thiazol-5-yl group. It is a potent and selective antagonist for the 5-hydroxytryptamine 2B (5-HT2B) receptor.

N-(1-methyl-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea: a 5-HT(2B) receptor antagonist; structure given in first source
1,2-thiazoles;
indoles;
ureas
receptor modulator;
serotonergic antagonist
4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]benzamidesulfonamide
sb-224289SB 224289 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxylic acid with the secondary amino group of 1'-methyl-6,7-dihydro-5H-spiro[furo[2,3-f]indole-3,4'-piperidine]. Selective 5-HT1B receptor antagonist (pKi = 8.2). Displays >60-fold selectivity over 5-HT1D, 5-HT1A, 5-HT1E, 5-HT1F, 5-HT2A and 5-HT2C receptors in radioligand binding and functional assays. Centrally active following oral administration in vivo.1,2,4-oxadiazole;
azaspiro compound;
benzamides;
organic heterotetracyclic compound
serotonergic antagonist
gw 7647GW 7647 : A monocarboxylic acid that is 2-(phenylsulfanyl)isobutyric acid in which the phenyl group is substituted at the para- position by a 3-aza-7-cyclohexylhept-1-yl group in which the nitrogen is acylated by a (cyclohexylamino)carbonyl group.

GW 7647: a PPAR-alpha agonist; structure in first source
aryl sulfide;
monocarboxylic acid;
ureas
PPARalpha agonist
ro 41-0960
n-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamideN-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide: dopamine D4 ligand; structure in first source
sb 2420846-chloro-5-methyl-1-((2-(2-methylpyrid-3-yloxy)pyrid-5-yl)carbamoyl)indoline: 5-HT(2C) receptor inverse agonist (antagonist); structure in first source
pd 168,077N-((4-(2-cyanophenyl)-1-piperazinyl)methyl)-3-methylbenzamide: a D4 dopamine receptor agonistpiperazines
l 6635363-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid : A member of the class of indoles that is 1H-indole substituted by a isopropyl group at position 5, a tert-butylsulfanediyl group at position 3, a 4-chlorobenzyl group at position 1 and a 2-carboxy-2-methylpropyl group at position 2. It acts as an inhibitor of arachidonate 5-lipoxygenase.

MK-886: orally active leukotriene biosynthesis inhibitor
aryl sulfide;
indoles;
monocarboxylic acid;
monochlorobenzenes
antineoplastic agent;
EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor;
leukotriene antagonist
mrs 15232,3-diethyl-4,5-dipropyl-6-phenylpyridine-3-thiocarboxylate-5-carboxylate: adenosine A3 receptor antagonist
6-bromo-3'-nitroflavone6-bromo-3'-nitroflavone: a synthetic flavonoid with high affinity for the benzodiazepine receptors
6-cyano-7-nitroquinoxaline-2,3-dione6-Cyano-7-nitroquinoxaline-2,3-dione: A potent excitatory amino acid antagonist with a preference for non-NMDA iontropic receptors. It is used primarily as a research tool.quinoxaline derivative
rs 17053indoles
fg 9041FG 9041: structure given in first sourcequinoxaline derivative
ro 106-9920Ro 106-9920: inhibits ubiquitination to block NF-kappaB-dependent cytokine expression; structure in first sourcesulfoxide
4-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidinebenzodioxine;
thienopyrimidine
3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octanediarylmethane
3,5-bis(4-methoxyphenyl)-1H-imidazole-2-thione1,3-dihydroimidazole-2-thiones
5-[[2-[2-[[cyclohexyl(oxo)methyl]amino]-1-oxoethoxy]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl esterdepsipeptide
3-methoxy-N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]benzamideaminoquinoline
1-(5-methyl-2-furanyl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-[1]benzopyrano[2,3-c]pyrrole-3,9-dionechromones
(3-chlorophenyl)(6,7-dimethoxy-1-((4-methoxyphenoxy)methyl)-3,4-dihydroisoquinolin-2(1h)-yl)methanone(3-chlorophenyl)(6,7-dimethoxy-1-((4-methoxyphenoxy)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)methanone: a positive modulator of GluN2C/GluN2D subunit-selective NMDA receptor
4-(5-(4-bromophenyl)-3-(6-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-4,5-dihydro-1h-pyrazol-1-yl)-4-oxobutanoic acid4-(5-(4-bromophenyl)-3-(6-methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid: structure in first source
sch 79797quinazolines
bw 723c86tryptamines
am 630iodopravadoline: an aminoalkylindole; a competitive cannabinoid receptor antagonist; structure given in first sourceN-acylindole
sb 408124SB 408124: a hypocretin receptor type 1 (HcrtR1) antagonistorganohalogen compound;
quinolines
(r,s)-5,7-di-tert-butyl-3-hydroxy-3-trifluoromethyl-3h-benzofuran-2-one(R,S)-5,7-di-tert-butyl-3-hydroxy-3-trifluoromethyl-3H-benzofuran-2-one: a positive allosteric modulator of GABAB receptors; structure in first source
le 300indoles
seryl-prolineSer-Pro : A dipeptide formed from L-serine and L-proline residues.dipeptidemetabolite
sitagliptinsitagliptin : A triazolopyrazine that exhibits hypoglycemic activity.triazolopyrazine;
trifluorobenzene
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1H-imidazol-2-yl)benzamide: a TGF-beta type I receptor kinase activity inhibitorbenzamides;
benzodioxoles;
imidazoles;
pyridines
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ly 367265LY 367265: a 5-hydroxytryptamine transporter inhibitor; a 5-HT(2A) receptor antagonist; structure in first source

LY-367,265 : A fluoroindole that is 1H-indole in which the hydrogens at positions 3 and 6 are replaced by 1-[2-(2,2-dioxo-5,6-dihydro-4H-2lambda(6)-[1,2,5]thiadiazolo[4,3,2-ij]quinolin-1(2H)-yl)ethyl]-1,2,3,6-tetrahydropyridin-4-yl and fluoro groups, respectively. It is an inhibitor of the 5-hydroxytryptamine transporter (Ki = 2.3 nM) and an antagonist of 5-hydroxytryptamine(2A) receptor (Ki = 0.81 nM).
dihydropyridine;
fluoroindole;
tertiary amino compound;
thiadiazoloquinoline
antidepressant;
geroprotector;
serotonergic antagonist;
serotonin uptake inhibitor
2-[8-[(2,6-dimethyl-4-morpholinyl)methyl]-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid ethyl esteralpha-amino acid ester
tolcaponetolcapone : Benzophenone substituted on one of the phenyl rings at C-3 and C-4 by hydroxy groups and at C-5 by a nitro group, and on the other phenyl ring by a methyl group at C-4. It is an inhibitor of catechol O-methyltransferase.

Tolcapone: A benzophenone and nitrophenol compound that acts as an inhibitor of CATECHOL O-METHYLTRANSFERASE, an enzyme involved in the metabolism of DOPAMINE and LEVODOPA. It is used in the treatment of PARKINSON DISEASE in patients for whom levodopa is ineffective or contraindicated.
2-nitrophenols;
benzophenones;
catechols
antiparkinson drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
5-(6-chloro-3-pyridinyl)-9-azabicyclo[4.2.1]non-4-eneazepine
3-propoxy-beta-carboline3-propoxy-beta-carboline: structure in first source
tcn 201
N-[[1-(2-phenoxyethyl)-2-benzimidazolyl]methyl]anilinebenzimidazoles
2-[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid methyl esteralpha-amino acid ester
cgp 79302,6-di-tert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol: structure in first sourcealkylbenzene
abt724ABT724: dopamine D4 receptors agonist; structure in first sourcepiperazines;
pyridines
1,3,5-tris(4-hydroxyphenyl)-4-propyl-1h-pyrazole4,4',4''-(4-propylpyrazole-1,3,5-triyl)trisphenol : A pyrazole that is 1H-pyrazole bearing three 4-hydroxyphenyl substituents at positions 1, 3 and 5 as well as a propyl substituent at position 4. Potent, subtype-selective estrogen receptor agonist (EC50 ~ 200 pM); displays 410-fold selectivity for ERalpha over ERbeta. Prevents ovariectomy-induced weight gain and loss of bone mineral density, and induces gene expression in the hypothalamus following systemic administration in vivo.phenols;
pyrazoles
estrogen receptor agonist
1,3-dimethyl-8-(3-methyl-1-piperidinyl)-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethyl]purine-2,6-dioneoxopurine
imd 0354N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxybenzamide: a cardioprotective agent that inhibits IkappaB kinase beta (IKKbeta); structure in first sourcebenzamides
1-[2-[(4-pentoxyphenyl)methylthio]ethyl]-3-phenylthioureathioureas
6-iodonordihydrocapsaicin6-iodonordihydrocapsaicin: a TRPV1 antagonistmethoxybenzenes;
phenols
ncgc00099374
sib 1757SIB 1757: a selective mGluR5 antagonist; structure in first source
brl 52537acetamides
quercetin7-hydroxyflavonol;
pentahydroxyflavone
antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger
biochanin a4'-methoxyisoflavones;
7-hydroxyisoflavones
antineoplastic agent;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
formononetin4'-methoxyisoflavones;
7-hydroxyisoflavones
phytoestrogen;
plant metabolite
acacetin5,7-dihydroxy-4'-methoxyflavone : A monomethoxyflavone that is the 4'-methyl ether derivative of apigenin.dihydroxyflavone;
monomethoxyflavone
anticonvulsant;
plant metabolite
apigeninChamomile: Common name for several daisy-like plants (MATRICARIA; TRIPLEUROSPERMUM; ANTHEMIS; CHAMAEMELUM) native to Europe and Western Asia, now naturalized in the United States and Australia.trihydroxyflavoneantineoplastic agent;
metabolite
luteolin3'-hydroxyflavonoid;
tetrahydroxyflavone
angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist
pinosylvinpinosylvin: phytoalexin found in pine and eucalyptuspinosylvin
cholecalciferolcalciol : A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone.

Cholecalciferol: Derivative of 7-dehydroxycholesterol formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. It differs from ERGOCALCIFEROL in having a single bond between C22 and C23 and lacking a methyl group at C24.
D3 vitamins;
hydroxy seco-steroid;
seco-cholestane;
secondary alcohol;
steroid hormone
geroprotector;
human metabolite
kaempferol7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone
antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
harmineharmine : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7.

Harmine: Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920's.
harmala alkaloidanti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite
naringenin chalcone2',4,4',6'-tetrahydroxychalcone : A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2' ,4, 4', and 6' respectively.

naringenin chalcone: RN given refers to cpd with unspecified stereoisomer & from CA Vol 92 Form Index; RN for cpd not in Chemline 7/6/83; structure in first source
chalcones;
polyphenol
anti-allergic agent;
anti-inflammatory agent;
metabolite
genistein7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
montelukastmontelukast: a leukotriene D4 receptor antagonistaliphatic sulfide;
monocarboxylic acid;
quinolines
anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist
entacaponeentacapone : A monocarboxylic acid amide that is N,N-diethylprop-2-enamide in which the hydrogen at position 2 is substituted by a cyano group and the hydrogen at the 3E position is substituted by a 3,4-dihydroxy-5-nitrophenyl group.

entacapone: structure given in first source
2-nitrophenols;
catechols;
monocarboxylic acid amide;
nitrile
antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
EC 2.1.1.6 (catechol O-methyltransferase) inhibitor
harmanharman : An indole alkaloid fundamental parent with a structure of 9H-beta-carboline carrying a methyl substituent at C-1. It has been isolated from the bark of Sickingia rubra, Symplocus racemosa, Passiflora incarnata, Peganum harmala, Banisteriopsis caapi and Tribulus terrestris, as well as from tobacco smoke. It is a specific, reversible inhibitor of monoamine oxidase A.

harman: a beta-carboline; RN given refers to parent cpd; structure
harmala alkaloid;
indole alkaloid;
indole alkaloid fundamental parent
anti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
plant metabolite
amentoflavonebiflavonoid;
hydroxyflavone;
ring assembly
angiogenesis inhibitor;
antiviral agent;
cathepsin B inhibitor;
P450 inhibitor;
plant metabolite
baicaleintrihydroxyflavoneangiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger
chrysinchrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7.7-hydroxyflavonol;
dihydroxyflavone
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite
3,7,4'-trihydroxyflavone3,7,4'-trihydroxyflavone: structure in first sourcehydroxyflavan
fisetin3'-hydroxyflavonoid;
7-hydroxyflavonol;
tetrahydroxyflavone
anti-inflammatory agent;
antioxidant;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
metabolite;
plant metabolite
galangin5,7-dihydroxyflavonol: antimicrobial from the twigs of Populus nigra x Populus deltoides; structure in first source

galangin : A 7-hydroxyflavonol with additional hydroxy groups at positions 3 and 5 respectively; a growth inhibitor of breast tumor cells.
7-hydroxyflavonol;
trihydroxyflavone
antimicrobial agent;
EC 3.1.1.3 (triacylglycerol lipase) inhibitor;
plant metabolite
hispidulinhispidulin : A monomethoxyflavone that is scutellarein methylated at position 6.monomethoxyflavone;
trihydroxyflavone
anti-inflammatory agent;
anticonvulsant;
antineoplastic agent;
antioxidant;
apoptosis inducer;
plant metabolite
hyperosidequercetin 3-O-beta-D-galactopyranoside : A quercetin O-glycoside that is quercetin with a beta-D-galactosyl residue attached at position 3. Isolated from Artemisia capillaris, it exhibits hepatoprotective activity.beta-D-galactoside;
monosaccharide derivative;
quercetin O-glycoside;
tetrahydroxyflavone
hepatoprotective agent;
plant metabolite
mangostinalpha-mangostin : A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1, 3 and 6, a methoxy group at position 7, an oxo group at position 9 and prenyl groups at positions 2 and 8. Isolated from the stems of Cratoxylum cochinchinense, it exhibits antioxidant, antimicrobial and antitumour activities.

mangostin: xanthone from rind of Garcinia mangostana Linn. fruit
aromatic ether;
phenols;
xanthones
antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite
scutellareinscutellarein : Flavone substituted with hydroxy groups at C-4', -5, -6 and -7.

scutellarein: aglycone of scutellarin from Scutellaria baicalensis; carthamidin is 2S isomer of scutellarein; do not confuse with isoscutellarein and/or isocarthamidin which are respective regioisomers, or with the scutelarin protein
tetrahydroxyflavonemetabolite
wogoninwogonin : A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-8.

wogonin: structure in first source
dihydroxyflavone;
monomethoxyflavone
angiogenesis inhibitor;
antineoplastic agent;
cyclooxygenase 2 inhibitor;
plant metabolite
daidzein7-hydroxyisoflavonesantineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite
Pinosylvin methyl etherstilbenoid
pterostilbenediether;
methoxybenzenes;
stilbenol
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
neuroprotective agent;
neurotransmitter;
plant metabolite;
radical scavenger
chicoric acidchicoric acid: inhibits HIV-1 integraseorganooxygen compoundgeroprotector;
HIV-1 integrase inhibitor
salvianolic acid asalvianolic acid A: a nootropic depside from Salvia miltiorrhiziastilbenoid
shogaolshogaol: from ginger, ZINGIBER OFFICINALE; less mutagenic than GINGEROL; structure given in first sourceenone;
monomethoxybenzene;
phenols
anandamideanandamide : An N-acylethanolamine 20:4 resulting from the formal condensation of carboxy group of arachidonic acid with the amino group of ethanolamine.endocannabinoid;
N-acylethanolamine 20:4
human blood serum metabolite;
neurotransmitter;
vasodilator agent
4',7-dihydroxyflavone4',7-dihydroxyflavone : A dihydroxyflavone in which the two hydroxy substituents are located at positions 4' and 7.

4',7-dihydroxyflavone: inducer of nod gene
dihydroxyflavonemetabolite
arachidonyl dopaminearachidonyl dopamine: a ligand for the vanilloid receptor VR1catechols;
fatty amide;
N-(fatty acyl)-dopamine;
secondary carboxamide
n-oleoyldopamineN-oleoyldopamine : A fatty amide resulting from the formal condensation of the carboxy group of oleic acid with the amino group of dopamine. Synthesised in catecholaminergic neurons, it crosses the blood-brain barrier and might be considered as a carrier of dopamine into the brain. It is a transient receptor potential vanilloid type 1 (TRPV1) receptor agonist.

N-oleoyldopamine: putative capsaicin receptor ligand; produces hyperalgesia; isolated from the brain
catechols;
fatty amide;
N-(fatty acyl)-dopamine;
secondary carboxamide
TRPV1 agonist
tranilasttranilast : An amidobenzoic acid that is anthranilic acid in which one of the anilino hydrogens is replaced by a 3,4-dimethoxycinnamoyl group.

tranilast: antiallergic drug; potent inhibitor of homologous passive cutaneous anaphylaxis
amidobenzoic acid;
cinnamamides;
dimethoxybenzene;
secondary carboxamide
anti-allergic agent;
anti-asthmatic drug;
antineoplastic agent;
aryl hydrocarbon receptor agonist;
calcium channel blocker;
hepatoprotective agent;
nephroprotective agent
4,4'-dihydroxystilbenestilbene-4,4'-diol
flunarizine hydrochloridediarylmethane
linoleoyl ethanolamidelinoleoyl ethanolamide : An N-acylethanolamine 18:2 that is the ethanolamide of linoleic acid.

linoleoyl ethanolamide: RN given for (Z,Z)-isomer
N-acylethanolamine 18:2EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor
n-oleoylethanolamineN-oleoylethanolamine: ceramidase inhibitor

oleoyl ethanolamide : An N-(long-chain-acyl)ethanolamine that is the ethanolamide of oleic acid. The monounsaturated analogue of the endocannabinoid anandamide.
endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-acylethanolamine 18:1
EC 3.5.1.23 (ceramidase) inhibitor;
geroprotector;
PPARalpha agonist
sphingosine 1-phosphatesphingosine 1-phosphate : A phosphosphingolipid that consists of sphingosine having a phospho group attached at position 1

sphingosine 1-phosphate: RN given refers to (R-(R*,S*-(E)))-isomer; RN for cpd without isomeric designation not available 8/89
sphingoid 1-phosphatemouse metabolite;
signalling molecule;
sphingosine-1-phosphate receptor agonist;
T-cell proliferation inhibitor;
vasodilator agent
cholesta-3,5-dien-7-one
codeinemorphinane alkaloid;
organic heteropentacyclic compound
antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic
perhexiline maleate
hydrocodonehydrocodone : A morphinane-like compound that is a semi-synthetic opioid synthesized from codeine.

Hydrocodone: Narcotic analgesic related to CODEINE, but more potent and more addicting by weight. It is used also as cough suppressant.
morphinane-like compound;
organic heteropentacyclic compound
antitussive;
mu-opioid receptor agonist;
opioid analgesic
hydromorphonehydromorphone : A morphinane alkaloid that is a hydrogenated ketone derivative of morphine. A semi-synthetic drug, it is a centrally acting pain medication of the opioid class.

Hydromorphone: An opioid analgesic made from MORPHINE and used mainly as an analgesic. It has a shorter duration of action than morphine.
morphinane alkaloid;
organic heteropentacyclic compound
mu-opioid receptor agonist;
opioid analgesic
nalmefenenalmefene: RN given refers to 5-alpha isomermorphinane alkaloid
nalorphineNalorphine: A narcotic antagonist with some agonist properties. It is an antagonist at mu opioid receptors and an agonist at kappa opioid receptors. Given alone it produces a broad spectrum of unpleasant effects and it is considered to be clinically obsolete.morphinane alkaloid
naloxonenaloxone : A synthetic morphinane alkaloid that is morphinone in which the enone double bond has been reduced to a single bond, the hydrogen at position 14 has been replaced by a hydroxy group, and the methyl group attached to the nitrogen has been replaced by an allyl group. A specific opioid antagonist, it is used (commonly as its hydrochloride salt) to reverse the effects of opioids, both following their use of opioids during surgery and in cases of known or suspected opioid overdose.

Naloxone: A specific opiate antagonist that has no agonist activity. It is a competitive antagonist at mu, delta, and kappa opioid receptors.
morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol
antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
oxycodoneoxycodone : A semisynthetic opioid of formula C18H21NO4 that is derived from thebaine. It is a moderately potent opioid analgesic, generally used for relief of moderate to severe pain.

Oxycodone: A semisynthetic derivative of CODEINE.
organic heteropentacyclic compound;
semisynthetic derivative
antitussive;
mu-opioid receptor agonist;
opioid analgesic
oxymorphoneOxymorphone: An opioid analgesic with actions and uses similar to those of MORPHINE, apart from an absence of cough suppressant activity. It is used in the treatment of moderate to severe pain, including pain in obstetrics. It may also be used as an adjunct to anesthesia. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1092)morphinane alkaloid
sirolimussirolimus : A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent.

Sirolimus: A macrolide compound obtained from Streptomyces hygroscopicus that acts by selectively blocking the transcriptional activation of cytokines thereby inhibiting cytokine production. It is bioactive only when bound to IMMUNOPHILINS. Sirolimus is a potent immunosuppressant and possesses both antifungal and antineoplastic properties.
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
trospium chloridetrospium chloride : An organic chloride salt of trospium. It is an antispasmodic drug used for the treatment of overactive bladder.
4-hydroxystilbene4-hydroxystilbene: RN given refers to cpd without isomeric designation

stilben-4-ol : A phenol having the structure of stilbene with a hydroxy function at C-4 of one of the phenyl rings; the stereochemistry across the alkene bond is not specified.
stilben-4-ol
6-methylpurine6-methylpurine : Purine bearing a methyl substituent at position 6.purinesEC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor
alvocidibalvocidib : A synthetic dihydroxyflavone that is 5,7-dihydroxyflavone which is substituted by a 3-hydroxy-1-methylpiperidin-4-yl group at position 8 and by a chlorine at the 2' position (the (-)-3S,4R stereoisomer). A cyclin-dependent kinase 9 (CDK9) inhibitor, it has been studied for the treatment of acute myeloid leukaemia, arthritis and atherosclerotic plaque formation.

alvocidib: structure given in first source
dihydroxyflavone;
hydroxypiperidine;
monochlorobenzenes;
tertiary amino compound
antineoplastic agent;
antirheumatic drug;
apoptosis inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
fenretinide4-hydroxyphenyl retinamide : A retinoid obtained by formal condensation of the carboxy group of all-trans retinoic acid and the anilino group of 4-hydroxyaniline. Synthetic retinoid agonist. Antiproliferative, antioxidant and anticancer agent with a long half-life in vivo. Apoptotic effects appear to be mediated by a mechanism distinct from that of 'classical' retinoids.

Fenretinide: A synthetic retinoid that is used orally as a chemopreventive against prostate cancer and in women at risk of developing contralateral breast cancer. It is also effective as an antineoplastic agent.
monocarboxylic acid amide;
retinoid
antineoplastic agent;
antioxidant
ic 261IC 261: a caseine kinase-1 inhibitor; structure in first source
morphineMeconium: The thick green-to-black mucilaginous material found in the intestines of a full-term fetus. It consists of secretions of the INTESTINAL GLANDS; BILE PIGMENTS; FATTY ACIDS; AMNIOTIC FLUID; and intrauterine debris. It constitutes the first stools passed by a newborn.morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound
anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic
su 9516
4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid: RN refers to (E)-isomer; structure given in first source

arotinoid acid : A retinoid that consists of benzoic acid substituted at position 4 by a 2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl group. It is a synthetic retinoid that acts as a selective agonist for the retinoic acid receptors (RAR).
benzoic acids;
naphthalenes;
retinoid
antineoplastic agent;
retinoic acid receptor agonist;
teratogenic agent
N-(5-bromo-2-thiazolyl)-3-phenyl-2-(1-pyrrolyl)propanamideamphetamines
4-[5-(4-methoxyphenyl)-3-isoxazolyl]-N-(2-pyridinylmethyl)butanamidemethoxybenzenes
3-[[4-[6-(4-morpholinyl)-3-pyridazinyl]-1-piperazinyl]-oxomethyl]-1-benzopyran-2-oneN-arylpiperazine
3-(4-chlorophenyl)-1-methyl-N-[3-(1-pyrrolidinyl)propyl]-5-thieno[2,3-c]pyrazolecarboxamidepyrazoles;
ring assembly
4-[3-(4-fluorophenyl)-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]-1-piperidinecarboxylic acid ethyl esterpyrazoles;
ring assembly
1-[[2-(3-chlorophenyl)-5-methyl-4-oxazolyl]methyl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-piperidinecarboxamide1,3-oxazoles
N-(3-acetylphenyl)-5-propan-2-yl-3-isoxazolecarboxamidearomatic amide
2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamideimidazoles
3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-oneindoles
l-2-(carboxypropyl)glycine
mre 3008-f20MRE 3008-F20: InChIKey: CJRNHKSLHHWUAB-UHFFFAOYSA-N
trans-metanicotinemetanicotine: RN given refers to parent cpd with unspecified isomeric designation
a 85380A 85380: structure given in first source; A-85380 is the S-enantiomer; A-159470 is the R-enantiomer
ar-r 17779AR-R 17779: structure in first source
2-(2,3-dicarboxycyclopropyl)glycine
2-methylthio-atp2-methylthio-ATP: purinergic receptors agonist; relaxes mammalian gut preparations; structure given in first source
2r,4r-4-aminopyrrolidine-2,4-dicarboxylatepyrrolidinedicarboxylic acid
3-(2,4-dimethoxybenzylidene)anabaseine3-(2,4-dimethoxybenzylidene)anabaseine: an alpha7nAChR nicotinic receptor agonistdimethoxybenzene
4-aminocrotonic acid
7-benzylidenenaltrexone7-benzylidenenaltrexone: structure given in first source; a highly selective delta1-opioid receptor antagonistphenanthrenes
adp beta sadenosine 5'-O-(2-thiodiphosphate): partial agonist toward platelet aggregation; see also record for 1-thiodiphosphate cpd
alpha-neoendorphinalpha-neoendorphin: precursor or leucine enkephalin family
beta-funaltrexaminebeta-funaltrexamine: RN given refers to parent cpd(E)-isomer; structure given in first sourcemorphinane alkaloid
istradefyllineoxopurine
osip 339391UCS15A: from Streptomyces; structure in first source
endomorphin 1endomorphin 1: isolated from bovine brainoligopeptide
endomorphin 2endomorphin 2: isolated from bovine brain
olvanilmethoxybenzenes;
phenols
sb 277011SB 277011: structure in first source
cp 481715quinoxaline-2-carboxylic acid (4-carbamoyl-1-(3-fluorobenzyl)-2,7-dihydroxy-7-methyloctyl)amide: a CCR1 antagonist and NSAID; structure in first source
preclamolpreclamol: centrally acting dopamine receptor agonist with selectivity for autoreceptors
j 113397J 113397: an opioid receptor-like 1 (ORL1), orphanin FQ, and nociceptin receptor antagonist; structure in first source
k 185
l 7458703-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-1H-pyrrolo(2,3-b)pyridine: selective for D(4) receptors; structure in first sourcepiperazines
l 655,708
lysophosphatidic acid1-oleoyl-sn-glycerol 3-phosphate : A 1-acyl-sn-glycerol 3-phosphate having oleoyl as the 1-O-acyl group.

lysophosphatidic acid : A member of the class of lysophosphatidic acids obtained by hydrolytic removal of one of the two acyl groups of any phosphatidic acid. A 'closed' class.

lysophosphatidic acid: RN given refers to parent cpd
1-acyl-sn-glycerol 3-phosphate
mdl 100907Serotonin 5-HT2 Receptor Antagonists: Drugs that bind to but do not activate SEROTONIN 5-HT2 RECEPTORS, thereby blocking the actions of SEROTONIN or SEROTONIN 5-HT2 RECEPTOR AGONISTS. Included under this heading are antagonists for one or more specific 5-HT2 receptor subtypes.
org 24598org 24598: structure in first source
nalbuphineNalbuphine: A narcotic used as a pain medication. It appears to be an agonist at KAPPA RECEPTORS and an antagonist or partial agonist at MU RECEPTORS.organic heteropentacyclic compoundmu-opioid receptor antagonist;
opioid analgesic
n-(4-amino-2-methylquinolin-6-yl)-2-(4-ethylphenoxymethyl)benzamideN-(4-amino-2-methylquinolin-6-yl)-2-(4-ethylphenoxymethyl)benzamide: a nociceptin antagonist; structure in first sourceaminoquinoline
pd 1289071-benzopyran
ry 80
sb 200646a
sib 1893SIB 1893: a selective mGluR5 antagonist; structure in first source
sr 59230atetralins
psb 1115oxopurine
n-(1-methyl-2-phenylethyl)adenosine, (s)-isomer
silodosinsilodosin: an alpha(1a)-adrenoceptor-selective antagonist; structure given in first sourceindolecarboxamide
sb 258719
sb 271046SB 271046: 5-HT(6) receptor antagonist; structure in first source
cannabigerolcannabigerol : A member of the class of resorcinols that is resorcinol which is substituted by a (2E)-3,7-dimethylocta-2,6-dien-1-yl group at position 2 and by a pentyl group at position 5. It is a natural product found in Cannabis sativa and Helichrysum species.

cannabigerol: RN given refers to (E)-isomer; structure given in first source
phytocannabinoid;
resorcinols
anti-inflammatory agent;
antibacterial agent;
antioxidant;
appetite enhancer;
cannabinoid receptor agonist;
neuroprotective agent;
plant metabolite
3,5-dimethoxy-trans-stilbene3,5-dimethoxystilbene: structure in first sourcestilbenoid
albaconolalbaconol: from the mushroom Albatrellus; structure in first source
isoginkgetinisoginkgetin : A biflavonoid resulting from the formal oxidative dimerisation between position 8 of one molecule of 5,7-dihydroxy-4'-methoxyflavone and the 3' position of another. Found in the leaves of Ginkgo biloba, it is a potent inhibitor of matrix metalloproteinase 9 (MMP-9).

isoginkgetin: Isolated from Ginkgo biloba; structure in first source
aromatic ether;
biflavonoid
antineoplastic agent;
EC 3.4.24.35 (gelatinase B) inhibitor;
plant metabolite
notopterolnotopterol: an analgesic cpd with anti-inflammatory action isolated from Notopterygium incisum Ting; structure given in first sourcefuranocoumarin
Piperaninebenzodioxoles
piperlongumininepiperlonguminine: from Piper longum; structure in first sourcebenzodioxoles
5,7,2'-trihydroxyflavone5,7,2'-trihydroxyflavone: has inhibitory effects on the EBV-EA activation & on mouse skin tumor promotion in an in vivo two-stage carcinogenesis test; from Scutellaria baicalensis; structure given in first sourceflavones
furazolidone
1-Ethyl-9H-pyrido[3,4-b]indoleharmala alkaloid
fluvoxaminefluvoxamine : An oxime O-ether that is benzene substituted by a (1E)-N-(2-aminoethoxy)-5-methoxypentanimidoyl group at position 1 and a trifluoromethyl group at position 4. It is a selective serotonin reuptake inhibitor that is used for the treatment of obsessive-compulsive disorder.

Fluvoxamine: A selective serotonin reuptake inhibitor that is used in the treatment of DEPRESSION and a variety of ANXIETY DISORDERS.
(trifluoromethyl)benzenes;
5-methoxyvalerophenone O-(2-aminoethyl)oxime
antidepressant;
anxiolytic drug;
serotonin uptake inhibitor
tyrphostin ag 555
tyrphostin ag-494AG 494: tyrphostin that blocks Cdk2 activation; structure in first source
bosutinib4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(4-methyl-1-piperazinyl)propoxy)-3-quinolinecarbonitrile: a Src kinase inhibitor; structure in first sourceaminoquinoline;
aromatic ether;
dichlorobenzene;
N-methylpiperazine;
nitrile;
tertiary amino compound
antineoplastic agent;
tyrosine kinase inhibitor
cb676475CB676475: structure in first sourcequinazolines
orantiniborantinib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 2-(2-carboxyethyl)-3,5-dimethylpyrrol-3-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1.

orantinib: an antiangiogenic agent
su 11248monocarboxylic acid amide;
pyrroles
angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
immunomodulator;
neuroprotective agent;
vascular endothelial growth factor receptor antagonist
palbociclibaminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
jnj-7706621sulfonamide
sulindac sulfidesulindac sulfide : An aryl sulfide that is a metabolite of sulindac. A non-steroidal anti-inflammatory drug, which also has anticancer activity.

sulindac sulfide: sulfated analog of indomethacin & inhibitor of prostaglandin synthesis in vitro; RN given refers to cpd without isomeric designation; structure given in first source
aryl sulfide;
monocarboxylic acid;
organofluorine compound
antineoplastic agent;
apoptosis inducer;
non-steroidal anti-inflammatory drug
6,7-dihydroxyflavone6,7-dihydroxyflavone: intensifies effect of antibiotics on Staphylococcus aureus; structure in first source
8-(3-chlorostyryl)caffeine8-(3-chlorostyryl)caffeine : Caffeine substituted at its 8-position by an (E)-3-chlorostyryl group.

8-(3-chlorostyryl)caffeine: adenosine antagonist
monochlorobenzenes;
trimethylxanthine
adenosine A2A receptor antagonist;
EC 1.4.3.4 (monoamine oxidase) inhibitor
bay 11-7085BAY11-7085 : A sulfone that is benzene substituted by [(E)-2-cyanoethenyl]sulfonyl and tert-butyl groups at position 1 and 4, respectively. It is an irreversible inhibitor of IkappaB-alpha phosphorylation in cells (IC50 = 10 muM) and prevents the activation of NF-kappaB.benzenes;
nitrile;
sulfone
anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.11.10 (IkappaB kinase) inhibitor;
ferroptosis inducer;
NF-kappaB inhibitor
oxiconazoleoxiconazole : An oxime O-ether that is the 2,4-dichlorobenzyl ether of the oxime obtained by formal condensation of hydroxylamine with the carbonyl group of acetopnenone in which the phenyl group is substituted by chlorines at positions 2 and 4, and in which one of the hydrogens of the methyl group is replaced by a 1H-imidazol-1-yl group. An antifungal agent, it is used (generally as the nitrate salt) in creams and powders for the topical treatment of fungal skin infections.

oxiconazole: RN given refers to parent cpd(Z)-isomer; structure given in first source
conazole antifungal drug;
dichlorobenzene;
imidazole antifungal drug;
imidazoles;
oxime O-ether
antiinfective agent
levorphanolLevorphanol: A narcotic analgesic that may be habit-forming. It is nearly as effective orally as by injection.morphinane alkaloid
dihydromorphineDihydromorphine: A semisynthetic analgesic used in the study of narcotic receptors.morphinane alkaloid
cyclorphancyclorphan: was heading 1965-94 (see under MORPHINANS 1965-90); use MORPHINANS to search CYCLORPHAN 1966-94
naltrexonenaltrexone : An organic heteropentacyclic compound that is naloxone substituted in which the allyl group attached to the nitrogen is replaced by a cyclopropylmethyl group. A mu-opioid receptor antagonist, it is used to treat alcohol dependence.

Naltrexone: Derivative of noroxymorphone that is the N-cyclopropylmethyl congener of NALOXONE. It is a narcotic antagonist that is effective orally, longer lasting and more potent than naloxone, and has been proposed for the treatment of heroin addiction. The FDA has approved naltrexone for the treatment of alcohol dependence.
cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound
antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic
dextromethorphandextromethorphan : A 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene in which the sterocenters at positions 4a, 10 and 10a have S-configuration. It is a prodrug of dextrorphan and used as an antitussive drug for suppressing cough.

Dextromethorphan: Methyl analog of DEXTRORPHAN that shows high affinity binding to several regions of the brain, including the medullary cough center. This compound is an NMDA receptor antagonist (RECEPTORS, N-METHYL-D-ASPARTATE) and acts as a non-competitive channel blocker. It is one of the widely used ANTITUSSIVES, and is also used to study the involvement of glutamate receptors in neurotoxicity.
6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthreneantitussive;
environmental contaminant;
neurotoxin;
NMDA receptor antagonist;
oneirogen;
prodrug;
xenobiotic
dextrorphanDextrorphan: Dextro form of levorphanol. It acts as a noncompetitive NMDA receptor antagonist, among other effects, and has been proposed as a neuroprotective agent. It is also a metabolite of DEXTROMETHORPHAN.morphinane alkaloid
butorphanolbutorphanol : Levorphanol in which a hydrogen at position 14 of the morphinan skeleton is substituted by hydroxy and one of the hydrogens of the N-methyl group is substituted by cyclopropyl. A semi-synthetic opioid agonist-antagonist analgesic, it is used as its (S,S)-tartaric acid salt for relief or moderate to severe pain.

Butorphanol: A synthetic morphinan analgesic with narcotic antagonist action. It is used in the management of severe pain.
morphinane alkaloidantitussive;
kappa-opioid receptor agonist;
mu-opioid receptor agonist;
opioid analgesic
methylnaltrexonemethylnaltrexone: RN given refers to parent cpd(5alpha)-isomerphenanthrenes
batimastatbatimastat : A secondary carboxamide resulting from the formal condensation of the carboxy group of (2S,3R)-5-methyl-3-{[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl}-2-[(thiophen-2-ylsulfanyl)methyl]hexanoic acid with the amino group of hydroxylamine. It a broad-spectrum matrix metalloprotease inhibitor.

batimastat: structure given in first source; a synthetic matrix metalloproteinase inhibitor
hydroxamic acid;
L-phenylalanine derivative;
organic sulfide;
secondary carboxamide;
thiophenes;
triamide
angiogenesis inhibitor;
antineoplastic agent;
matrix metalloproteinase inhibitor
isoalloxazineisoalloxazine: structurebenzo[g]pteridine-2,4-dione
3,4',5-trimethoxystilbene3,4',5-trimethoxystilbene: structure in first source
clathrodinclathrodin: structure given in first source; isolated from marine sponges of the genus Agelas
nitrofurazonenitrofurazone : A semicarbazone resulting from the formal condensation of semicarbazide with 5-nitrofuraldehyde. A broad spectrum antibacterial drug, although with little activity against Pseudomonas species, it is used as a local application for burns, ulcers, wounds and skin infections.

Nitrofurazone: A topical anti-infective agent effective against gram-negative and gram-positive bacteria. It is used for superficial WOUNDS AND INJURIES and skin infections. Nitrofurazone has also been administered orally in the treatment of TRYPANOSOMIASIS.
catharanthinealkaloid ester;
bridged compound;
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound
n-methylscopolamine bromidescopolamine methobromide : A quaternary ammonium salt resulting from the reaction of the amino group of scopolamine with methyl bromide.
enkephalin, ala(2)-mephe(4)-gly(5)-peptide
naloxone hydrochloridenaloxone hydrochloride : A hydrochloride resulting from the formal reaction of equimolar amounts of naloxone and hydrogen chloride. A specific opioid antagonist, it is used to reverse the effects of opioids, both following their use of opioids during surgery and in cases of known or suspected opioid overdose.hydrochlorideantidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
cinanserincinanserin : An aryl sulfide that is (2E)-3-phenyl-N-(2-sulfanylphenyl)prop-2-enamide in which the hydrogen of the thiol group is substituted by a 3-(dimethylamino)propyl group. It is a 5-hydroxytryptamine receptor antagonist and an inhibitor of SARS-CoV replication.

Cinanserin: A serotonin antagonist with limited antihistaminic, anticholinergic, and immunosuppressive activity.
aryl sulfide;
cinnamamides;
secondary carboxamide;
tertiary amino compound
anticoronaviral agent;
antiviral agent;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor
norbinaltorphiminenorbinaltorphimine: kappa opiate receptor antagonist; structure given in first sourceisoquinolines
dermorphindermorphin: opiate-like peptide present in amphibian skinoligopeptide
naltrexone hydrochloridenaltrexone hydrochloride : A hydrochloride obtained by reaction of oxycodone with one molar equivalent of hydrochloric acid. it is a mu-opioid receptor antagonist that is used to treat alcohol dependence.hydrochlorideantidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
licostinellicostinel: a glycine site NMDA receptor antagonist; structure given in first source
lofepramine hydrochloride
6 beta-hydroxynaltrexonephenanthrenes
14-methoxymetopon14-methoxymetopon: structure given in first source; has high affinity for the naloxone binding sites in rat brain
tiotropium bromidetiotropium bromide : An organic bromide salt having (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane as the counterion. Used (in the form of the hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease.

Tiotropium Bromide: A scopolamine derivative and CHOLINERGIC ANTAGONIST that functions as a BRONCHODILATOR AGENT. It is used in the treatment of CHRONIC OBSTRUCTIVE PULMONARY DISEASE.
tiotropiumtiotropium : A quaternary ammonium ion obtained by methylation of the tertiary amino group of (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane. Used (in the form of the bromide hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease.
biphalinbiphalin: enkephalin dimer; two fragments of Ala(2)-enkephalin are connected by a diamine bridge to form above cpd; structure given in first source
phenylalanylalaninePhe-Ala : A dipeptide formed from L-phenylalanine and L-alanine residues.

phenylalanylalanine: RN given refers to (L)-isomer
dipeptide;
dipeptide zwitterion
metabolite
acetylalanylalanineacetylalanylalanine: RN given refers to (D)-isomer
alvimopan anhydrousalvimopan: mu opioid receptor antagonist; intended to treat constipation in patients taking opiates for painpeptide
tyrosyl alanyl-glycyl-phenylalaninamidetyrosyl alanyl-glycyl-phenylalaninamide: tetrapeptide opiate
oxymorphindoleoxymorphindole: no other info avail 9/91
alpha-aspartylalaninealpha-aspartylalanine: found in pig brain

Asp-Ala : A dipeptide formed from L-alpha-aspartyl and L-valine residues.
dipeptidemetabolite
vx680N-arylpiperazine
alanyltyrosineTyr-Ala : A dipeptide formed from L-tyrosine and L-alanine residues.dipeptidemetabolite
n'-((1e)-(4-(diethylamino)phenyl)methylene)-4-hydroxybenzohydrazideN'-((1E)-(4-(diethylamino)phenyl)methylene)-4-hydroxybenzohydrazide: structure in first source
lysophosphatidic acid
naltrindolenaltrindole: delta opioid receptor antagonistisoquinolines
guanabenzGuanabenz: An alpha-2 selective adrenergic agonist used as an antihypertensive agent.dichlorobenzene
methylbenzethonium chloridealkylbenzene
cyprodimecyprodime: RN & structure given in first source; RN given refers to parent cpd
derrubonederrubone: an inhibitor of the Hsp90 protein folding machinery from Derris robusta; structure in first sourceisoflavanones
2,4,2'-trihydroxychalcone2,4,2'-trihydroxychalcone: structure in first source
gw-5074
nf023
nf 449
(R)-citalopram(R)-citalopram : A 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile that has R-configuration at the chiral centre. It is the inactive enantiomer of citalopram.1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine
8-hydroxy-2-(n-n-propyl-n-(3'-iodo-2'-propenyl)amino)tetralin8-hydroxy-2-(N-n-propyl-N-(3'-iodo-2'-propenyl)amino)tetralin: a 5-HT(1A) receptor ligand; structure given in first source
gr 46611GR 46611: known to lower body temperature in guinea pigs
7-hydroxy-2-(n-n-propyl-n-(3-iodo-2'-propenyl)-amino)tetralin2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)amino}tetralin-7-ol : A tertiary amino compound that consists of 2-amino-7-hydroxytetralin in which the two amino hydrogens are substituted by 2E)-3-iodoallyl and propyl groups. This ligand has uniquely high affinity and selectivity for the D3 receptor.

7-hydroxy-2-(N-n-propyl-N-(3-iodo-2'-propenyl)-amino)tetralin: D3 dopamine receptor ligand; structure given in first source
organoiodine compound;
phenols;
tertiary amino compound;
tetralins
dopamine agonist
oroidinoroidin: from marine sponges of the genus Agelas; structure in first sourcepyrroles;
secondary carboxamide
metabolite
iodoresiniferatoxiniodoresiniferatoxin: a vanilloid receptor 1 antagonist
ginkgolide b
clovoxamine5-methoxyvalerophenone O-(2-aminoethyl)oxime;
monochlorobenzenes
antidepressant
palonosetronpalonosetron : An organic heterotricyclic compound that is an antiemetic used (as its hydrochloride salt) in combination with netupitant (under the trade name Akynzeo) to treat nausea and vomiting in patients undergoing cancer chemotherapy.

Palonosetron: Isoquinoline and quinuclidine derivative that acts as a 5-HT3 RECEPTOR antagonist. It is used in the prevention of nausea and vomiting induced by cytotoxic chemotherapy, and for the prevention of post-operative nausea and vomiting.
azabicycloalkane;
delta-lactam;
organic heterotricyclic compound
antiemetic;
serotonergic antagonist
(-)-catechin-3-O-gallate(-)-catechin-3-O-gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of (-)-catechin.flavans;
gallate ester;
polyphenol
metabolite
homatropine hydrobromide, (endo-(+-)-isomer)
cyc 1164-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine: an aurora kinase inhibitor; structure in first source
ciproxifanaromatic ketone
prolylglycineL-prolylglycine : A dipeptide consisting of glycine having an L-prolyl group attached to its alpha-amino nitrogen.

prolylglycine: RN given refers to (L)-isomer
dipeptide;
dipeptide zwitterion
1-(3-(5-(1,2,4-triazol-4-yl)-1h-indol-3-yl)propyl)-4-(2-(3-fluorophenyl)ethyl)piperazine1-(3-(5-(1,2,4-triazol-4-yl)-1H-indol-3-yl)propyl)-4-(2-(3-fluorophenyl)ethyl)piperazine: an h5-HT(1D) receptor agonist; structure in first source
imidafenacinimidafenacin: structure in first sourcediarylmethane
eniporideeniporide: inhibits NHE-1 isoform; structure in first source
mg 624triethyl-(beta-4-stilbenoxyethyl)ammonium: inhibits alpha7 nicotinic receptors; structure in first source
cinalukastcinalukast : 2,2-Diethylsuccinanilic acid substituted at a meta- position by an (E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl group. It selectively antagonizes leukotriene D4 at the cysteinyl leukotriene receptor, in the human airway, preventing airway edema, smooth muscle contraction, and enhanced secretion of thick, viscous mucus. It is used in the treatment of asthma.

cinalukast: structure given in first source; orally active LTD4 antagonist; an anti-asthmatic agent
1,3-thiazoles;
carboxylic acid
anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist
himbacinehimbacine : A piperidine alkaloid that is decahydronaphtho[2,3-c]furan-1(3H)-one substituted by a methyl group at position 3 and a 2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl group at position 4. It has been isolated from the bark of Australian magnolias.

himbacine: muscarine receptor antagonist; RN given refers to (3S-(3alpha,3aalpha,4beta(1E,2(2R*,6S*)),4abeta,8aalpha,9aalpha))-isomer; structure given in first source
gamma-lactone;
organic heterotricyclic compound;
piperidine alkaloid
muscarinic antagonist
n-oleoylglycineN-oleoylglycine : A fatty acid derivative that is the 9Z-octadecenoyl derivative of glycine. It is believed to be an intermediate in oleamide biosynthesis.

oleoylglycine: long chain fatty acyl glycine
fatty amide;
N-acylglycine 18:1
metabolite
bw a1433BW A1433: adenosine receptor antagonist
fk 453FK 453: adenosine A1 receptor antagonist; structure given in first source; a new antihypertensive agent with diuretic action in isolated rabbit aorta; FR113452 is the S-(-) enantiomer of FK 453
hymenidinhymenidin: serotonergic receptor antagonist from Okinawan marine sponge Hymeniacidon; structure given in first source
everolimuscyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol
anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
jl 13 compoundJL 13 compound: structure given in first source
trk 820TRK 820: structure in first sourcephenanthrenes
ekb 569EKB 569: an EGF receptor kinase inhibitoraminoquinoline;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile
protein kinase inhibitor
kf 17837
arvanilarvanil: structure in first sourcemethoxybenzenes;
phenols
cannabigerolic acidcannabigerolic acid : A dihydroxybenzoic acid that is olivetolic acid in which the hydrogen at position 3 is substituted by a geranyl group. A biosynthetic precursor to Delta(9)-tetrahydrocannabinol, the principal psychoactive constituent of the cannabis plant.

cannabigerolic acid: structure in first source
dihydroxybenzoic acid;
diterpenoid;
phytocannabinoid;
polyketide;
resorcinols
axitinibaryl sulfide;
benzamides;
indazoles;
pyridines
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
cx 6142H,3H,6aH-pyrrolidino(2'',1''-3',2')1,3-oxazino(6',5'-5,4)benzo(e)1, 4-dioxan-10-one: an ampakine (AMPA receptor modulator); structure in first source
fm1 43FM1 43: labels motor nerve terminals in an activity-dependent fashion that involves dye uptake by synaptic vesicles that are recycling; structure given in second sourceorganic bromide salt;
pyridinium salt;
quaternary ammonium salt;
tertiary amine
fluorochrome
gw 1929GW 1929: activates peroxisome proliferator-activated receptor-gamma; structure in first sourcebenzophenones
1-methyl-d-lysergic acid butanolamideergot alkaloid;
monocarboxylic acid amide
serotonergic antagonist;
sympatholytic agent;
vasoconstrictor agent
clocinnamoxclocinnamox: structure given in first source; an opioid mu receptor agonist
nipecotic acid, (s)-isomer(S)-nipecotic acid : The (S)-enantiomer of nipecotic acid.nipecotic acid
n(4)-chloroacetylcytosine arabinoside
a 77636(1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol : An isochromene that is 3,4-dihydroisochromene-5,6-diol bearing additional aminomethyl and 1-adamantyl substituents at positions 1 and 3 respectively (the 1R,3S-diastereomer). Potent and selective dopamine D1-like receptor agonist (pEC50 values are 8.97 and < 5 for D1-like and D2-like receptors respectively). Displays anti-Parkinsonian activity following oral administration in vivo.

A 77636: structure given in first source; a selective dopamine D1 receptor agonist
adamantanes;
catechols;
isochromenes;
primary amino compound
antiparkinson drug;
dopamine agonist
b 43RK-24466 : A member of the class of pyrrolopyrimidines that is 7H-pyrrolo[2,3-d]pyrimidine substituted by amino, 4-phenoxyphenyl, and cyclopentyl groups at positions 4, 5 and 7, respectively. It is a potent inhibitor of Lck that inhibits Lck (64-509) and LckCD isoforms (IC50 of less than 1 and 2 nM, respectively).aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector
dihydrexidinephenanthridines
gr 103545
gw2974GW2974: quinazoline derivative, which is able to block the activation of both the EGFR and erbB2pyridopyrimidine
8-hydroxy-2-(di-n-propylamino)tetralin, (r)-isomertetralins
7-hydroxy-2-n,n-dipropylaminotetralin, (r)-isomer
l 750667L 750667: structure given in first sourcepiperazines
l 162313L 162313: a biphenylimidazole derivative; a non-peptide angiotensin agonist; no further information available 2/95
mrs 1754oxopurine
5-(4-phenylbutoxy)psoralen5-(4-phenylbutoxy)psoralen: structure in first source

psora 4 : A member of the class of psoralens that is psoralen substituted by a 4-phenylbutoxy group at position 5. It is a potent inhibitor of the voltage-gated potassium channel Kv1.3 (EC50 = 3 nM).
aromatic ether;
benzenes;
psoralens
geroprotector;
immunosuppressive agent;
potassium channel blocker
sb 222200quinolines
suloctidilSuloctidil: A peripheral vasodilator that was formerly used in the management of peripheral and cerebral vascular disorders. It is hepatotoxic and fatalities have occurred. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1312)
1-amino-1,3-dicarboxycyclopentane, cis-(1s,3s)-isomer
3,4-dichloro-n-methyl-n-(2-(1-pyrrolidinyl)cyclohexyl)-benzeneacetamide, (trans)-(-)-isomeracetamides
uh 232tetralins
1-aminocyclopentane-1,3,4-tricarboxylic acid1-aminocyclopentane-1,3,4-tricarboxylic acid: metabolic glutamate receptor (mGluR) antagonist; structure in first source
am 404anilide
6-cyano-4-(n-ethylsulfonyl-n-methylamino)-3-hydroxy-2,2-dimethylchromane, (trans-(+))-isomer
5-ia-85380aromatic ether
ro 25-6981Ro 25-6981 : A member of the class of piperidines that is 4-benzylpiperidine substituted by a 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropyl group at position 1 (the 1R,2S-stereoisomer). It is a potent antagonist of the GluN2B subunit of the N-methyl-D-aspartate (NMDA) receptor.

Ro 25-6981: blocks NMDA receptors containg NR2B subunit; structure in first source
benzenes;
phenols;
piperidines;
secondary alcohol;
tertiary amino compound
anticonvulsant;
antidepressant;
neuroprotective agent;
NMDA receptor antagonist
sb 269970SB 269970: a 5-HT(7) antagonist; structure in first sourcesulfonamide
dinitrofluorobenzene3,3'-difluorobenzaldazine: a selective positive allosteric modulator of mGluR5 activity; structure in first source
alx 5407biphenyls
omdm-2 cpdOMDM-2 cpd: structure in first source
sb 334867-a1-(2-methylbenzoxazol-6-yl)-3-(1,5)naphthyridin-4-yl urea: selective OX1 receptor antagonistnaphthyridine derivative
n,n'-dicyclopentyl-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamineN,N'-dicyclopentyl-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine: structure in first sourcearyl sulfide
aminopurvalanol aaminopurvalanol A: casein kinase I alpha inhibitor; structure in first sourcemonochlorobenzenes;
purvalanol
protein kinase inhibitor
bvt.948
Retusin 7-Methyl Ethermethoxyisoflavone
sk&f-38393(R)-SKF 38393 : A 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol that is the R-enantiomer of SKF 38393.1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
enkephalin, leucine-2-alanineEnkephalin, Leucine-2-Alanine: A delta-selective opioid (ANALGESICS, OPIOID). It can cause transient depression of mean arterial blood pressure and heart rate.
levomilnacipranLevomilnacipran: The (1S,2R)-isomer of milnacipran that is used for the treatment of MAJOR DEPRESSIVE DISORDER.acetamides
cv 18082-phenylaminoadenosine: has coronary & cardiohemodynamic effectspurine nucleoside
stepholidinestepholidine: protoberberine alkaloid isolated from opium; dual D1 receptor agonist and D2 receptor antagonist
cilansetroncilansetron: structure given in first source; binds to 5-HT(3) receptors
icatibantoligopeptidebeta-adrenergic antagonist;
bradykinin receptor antagonist;
peptidomimetic
eaa-090EAA-090: a potent N-methyl-D-aspartate antagonist; structure in first sourcedialkylarylamine;
tertiary amino compound
nalfurafine hydrochloride
temsirolimusmacrolide lactam
dutasteridedutasteride : An aza-steroid that is inasteride in which the tert-butyl group is replaced by a 2,5-bis(trifluoromethyl)phenyl group. A synthetic 4-azasteroid, dutasteride is a selective inhibitor of both the type 1 and type 2 isoforms of steroid 5alpha-reductase, an intracellular enzyme that converts testosterone to 5alpha-dihydrotestosterone. Dutasteride is used for the treatment of symptomatic benign prostatic hyperplasia in men with an enlarged prostate gland.

Dutasteride: A 5-ALPHA-REDUCTASE INHIBITOR that is reported to inhibit both type-1 and type2 isoforms of the enzyme and is used to treat BENIGN PROSTATIC HYPERPLASIA.
(trifluoromethyl)benzenes;
aza-steroid;
delta-lactam
antihyperplasia drug;
EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor
ganaxoloneganaxolone: a selective, high-affinity, steroid modulator of the GABA(A) receptor; structure given in first source; RN given refers to (3alpha,5alpha)-isomercorticosteroid hormone
vilazodonevilazodone : A 1-benzofuran that is 5-(piperazin-1-yl}-1-benzofuran-2-carboxamide having a (5-cyanoindol-3-yl)butyl group attached at position N-4 on the piperazine ring. Used for the treatment of major depressive disorder.1-benzofurans;
indoles;
monocarboxylic acid amide;
N-alkylpiperazine;
N-arylpiperazine;
nitrile
antidepressant;
serotonergic agonist;
serotonin uptake inhibitor
sarizotansarizotan: serotonin 5-HT1A agonist improves motor complications in rodent and primate parkinsonian models
pd 174494PD 174494: structure in first sourcepiperidines
nps2143
pd 1843522-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide: inhibits MAP kinase kinase; structure in first sourceaminobenzoic acid
lu 208075ambrisentan: an ET(A) receptor antagonist and antihypertensive agent; studied for use in pulmonary arterial hypertensiondiarylmethane
2-ethyl-5-methoxy-n,n-dimethyltryptamine2-ethyl-5-methoxy-N,N-dimethyltryptamine: a 5-HT(6) receptor agonist; structure in first source
5-methoxy-2-phenyl-n,n-dimethyltryptamine
ms-245N,N-dimethyl-2-(1-(benzenesulfonyl)-5-methoxy-1H-indol-3-yl)ethylamine: a 5-HT(6) receptor ligand; structure in first source
n-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamideN-(2,5-dibromo-3-fluorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide: structure in first source
indacaterolindacaterol : A monohydroxyquinoline that consists of 5-[(1R)-2-amino-1-hydroxyethyl]-8-hydroxyquinolin-2-one having a 5,6-diethylindan-2-yl group attached to the amino function. Used as the maleate salt for treatment of chronic obstructive pulmonary disease.

indacaterol: a beta2 adrenoceptor agonist; indacaterol is the (R)-isomer; structure in first source
indanes;
monohydroxyquinoline;
quinolone;
secondary alcohol;
secondary amino compound
beta-adrenergic agonist;
bronchodilator agent
mrk 016MRK 016: an inverse agonist of GABA(A) alpha5 receptors; structure in first source
6,6-dimethyl-3-(2-hydroxyethyl)thio-1-(thiazol-2-yl)-6,7-dihydro-2-benzothiophen-4(5h)-one6,6-dimethyl-3-(2-hydroxyethyl)thio-1-(thiazol-2-yl)-6,7-dihydro-2-benzothiophen-4(5H)-one: a GABA-A alpha5 receptor inverse agonist; structure in first source
4-(2-bromo-6-pyrrolidin-1-ylpyridine-4-sulfonyl)phenylamine4-(2-bromo-6-pyrrolidin-1-ylpyridine-4-sulfonyl)phenylamine: a 5-HT6 receptor antagonist; structure in first source
on 01910N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine : A glycine derivative that is glycine in which one of the hydrogens of the amino group is substituted by a 2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl group.

ON 01910: a Plk1 inhibitor with antineoplastic activity; structure in first source

rigosertib : An N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine in which the double bond has E-configuration. It is a non-ATP-competitive inhibitor of PLK1 with an IC50 of 9 nM and exhibits anti-cancer properties.
N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycineantineoplastic agent;
apoptosis inducer;
EC 2.7.11.21 (polo kinase) inhibitor;
microtubule-destabilising agent
glutamylalanineGlu-Ala : A dipeptide formed from L-alpha-glutamyl and L-alanine residues.dipeptidemetabolite
phenylalanylphenylalaninePhe-Phe : A dipeptide formed from two L-phenylalanine residues.dipeptide;
L-aminoacyl-L-amino acid zwitterion
human blood serum metabolite;
Mycoplasma genitalium metabolite
phenylalanyl-valineVal-Phe : A dipeptide formed from L-valine and L-phenylalanine residues.dipeptidemetabolite
alanylglycinedipeptide;
dipeptide zwitterion
metabolite
valyltyrosineVal-Tyr : A dipeptide formed from L-valine and L-tyrosine residues.

valyltyrosine: from sardine muscle hydrolyzate
dipeptidemetabolite
phenylalanylprolinePhe-Pro : A dipeptide formed from L-phenylalanine and L-proline residues.dipeptidemetabolite
glycylhistidineGly-His : A dipeptide composed of glycine and L-histidine joined by a peptide linkage.

glycylhistidine: RN given refers to (L)-isomer
dipeptide;
dipeptide zwitterion
metabolite
prolyl-serinePro-Ser : A dipeptide formed from L-proline and L-serine residues.dipeptidemetabolite
1-isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-urea1-isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-urea: structure in first source
2-ethoxy-N-[1-(phenylmethyl)-4-piperidinyl]benzamidepiperidines
bis(7)-tacrinesecondary amino compoundapoptosis inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
neuroprotective agent
chlorhexidinechlorhexidine : A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge.

Chlorhexidine: A disinfectant and topical anti-infective agent used also as mouthwash to prevent oral plaque.
biguanides;
monochlorobenzenes
antibacterial agent;
antiinfective agent
1-(3,4-dichlorophenyl)-3-(4-((1-ethyl-3-piperidyl)amino)-6-methyl-2-pyrimidinyl)guanidine1-(3,4-dichlorophenyl)-3-(4-((1-ethyl-3-piperidyl)amino)-6-methyl-2-pyrimidinyl)guanidine: structure
milamelinemilameline: a candidate drug for the treatment of age-related disorders of cognition; RN refers to the E-isomer; structure given in first source
naloxonazinenaloxonazine: binds irreversibly to opiate receptor sites; structure given in first source
binodenoson
sabcomelinesabcomeline: selective for M1 receptors; RN refers to (R,S)-isomer; structure in first sourcequinuclidines
lassbio 294
armodafinilarmodafinil : A 2-[(diphenylmethyl)sulfinyl]acetamide that has R configuration at the sulfur atom. Like its racemate, modafinil, it is used for the treatment of sleeping disorders such as narcolepsy, obstructive sleep apnoea, and shift-work sleep disorder. Peak concentration in the blood later occurs later following administration than with modafinil, so it is thought that armodafinil may be more effective than modafinil in treating people with excessive daytime sleepiness.2-[(diphenylmethyl)sulfinyl]acetamidecentral nervous system stimulant;
eugeroic
a 84543
fpl 15896ar
3-((2-methyl-1,3-thiazol-4-yl)ethynyl)piperidine3-((2-methyl-1,3-thiazol-4-yl)ethynyl)piperidine: an excitatory amino acid antagonist
azd 0328spiro(1-azabicyclo(2.2.2)octane-3,2'(3H)-furo(2,3-b)pyridine): AZD-0328 is the (2'R)-isomer and D-tartrate salt; an alpha7 neuronal nicotinic receptor agonist; structure in first source
radafaxineradafaxine: a bupropion metabolite; radafaxine is a (+)-isomer of hydroxybupropion
dov 216303
pnu-282987carbonyl compound;
organohalogen compound
pridopidinepridopidine: a dopamine stabilizer; structure in first source
osu 6162OSU 6162: reduces levodopa-induced dyskinesias without inducing akinesia
5-amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acidorganonitrogen heterocyclic compound;
organosulfur heterocyclic compound
ssr180711SSR180711: a selective alpha7 acetylcholine nicotinic receptor (n-AChRs) partial agonist; structure in first source
(4-benzylpiperidin-1-yl)-(6-hydroxy-1h-indol-2-yl)methanone(4-benzylpiperidin-1-yl)-(6-hydroxy-1H-indol-2-yl)methanone: an NR2B-subunit selective antagonist; structure in first source
sodium selenate
atl 146eBMS-068645: structure in first source
n-demethylloperamidedesmethyl loperamide : A monocarboxylic acid amide that is the methylamide of 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylbutanoic acid.

N-demethylloperamide: loperamide metabolite; structure in first source
monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol
drug metabolite
av 412
telatinib
y-39983Y-39983: SNJ-1656 is an ophthalmic solution of Y-39983; ROCK (rho kinase) inhibitor, promotes regeneration of crushed axons of retinal ganglion cells; structure in first sourcepyrrolopyridine
cp 5476323-(4-bromo-2,6-difluorobenzyloxy)-5-(3-(4-pyrrolidin-1-ylbutyl)ureido)isothiazole-4-carboxylic acid amide: inhibits vascular endothelial growth factor receptor-2 tyrosine kinase; structure in first source
bms3455414(2'-aminoethyl)amino-1,8-dimethylimidazo(1,2-a)quinoxaline: structure in first sourcequinoxaline derivative
norfenfluramineDexnorfenfluramine: D-isomer of Norfenfluramineamphetamines
5'-amino-5'-deoxyadenosine
pd 144418
pnu-95666
rwj 68354
ly 341495xanthenes
cp 293019CP 293019: structure given in first source
sb 223245
lenvatiniblenvatinib : A member of the class of quinolines that is the carboxamide of 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxylic acid. A multi-kinase inhibitor and orphan drug used (as its mesylate salt) for the treatment of various types of thyroid cancer that do not respond to radioiodine.aromatic amide;
aromatic ether;
cyclopropanes;
monocarboxylic acid amide;
monochlorobenzenes;
phenylureas;
quinolines
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist;
orphan drug;
vascular endothelial growth factor receptor antagonist
isproniclineispronicline: a neuronal nicotinic acetylcholine receptor modulator; has antidepressant, neuroprotective, and cognitive effects; structure in first source
tak 029TAK 029: structure in first source
17-cyclopropylmethyl-6,7-didehydro-4,5-epoxy-5'-guanidinyl-3,14-dihydroxyindolo(2',3'-6,7)morphinan
pd 0325901mirdametinib: has antineoplastic activity; appears to be a MEK inhibitor

PD 0325901 : A hydroxamic acid ester that is benzhydroxamic acid (N-hydroxybenzamide) in which the hydroxamic acid group has been converted to the corresponding 2,3-dihydroxypropyl ester and in which the benzene ring has been substituted at position 2 by a (2-fluoro-4-iodophenyl)amino group and at positions 3 and 4 by fluorines (the R enantiomer).
difluorobenzene;
hydroxamic acid ester;
monofluorobenzenes;
organoiodine compound;
propane-1,2-diols;
secondary amino compound
antineoplastic agent;
EC 2.7.12.2 (mitogen-activated protein kinase kinase) inhibitor
n-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-4-(pyridin-2-yl)benzamide
midostaurinmidostaurin : An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine.benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor
l 755507L 755507: a benzenesulfonamide derivative; structure in first source
uk-432097UK-432097: a highly potent and selective agonist and drug candidate for chronic obstructive pulmonary disease (COPD) treatment; structure in first source
ly 404039LY404039 : An organic heterobicyclic compound that is (1S,5R)-2-thiabicyclo[3.1.0]hexane carrying oxo, oxo, amino, carboxy, and carboxy groups at positions 2, 2, 4S, 4S, and 6S, respectively. It is a potent agonist of group II metabotropic glutamate receptors mGluR2 mGluR3 (Ki = 149 nM and 92 nM, respectively) and exhibits antipsychotic and anxiolytic efficacy in animal models.bridged compound;
dicarboxylic acid;
non-proteinogenic amino acid derivative;
organic heterobicyclic compound;
sulfone
antipsychotic agent;
anxiolytic drug;
dopamine agonist;
metabotropic glutamate receptor agonist
prolylvalineVal-Pro : A dipeptide formed from L-valine and L-proline residues.dipeptidemetabolite
mgs 0028MGS 0028: a group II mGluR agonist; structure in first source
tapentadolTapentadol: An opioid analgesic, MU OPIOID RECEPTOR agonist, and noradrenaline reuptake inhibitor that is used in the treatment of moderate to severe pain, and of pain associated with DIABETIC NEUROPATHIES.alkylbenzene
nebicaponenebicapone: structure in first source
qh-ii-66QH-II-66: a alpha5-GABAA receptor agonist
o-demethyltramadolalkylbenzene;
ring assembly
4-iodo-2,5-dimethoxyphenylisopropylamine, (r)-isomer
tqx 173
n(6)-cyclohexyladenosineN(6)-cyclohexyladenosine: structure given in first source; receptors, purinergic P1 agonist
2-propyl-4,5,5a,6,7,11b-hexahydro-3-thia-5-azacyclopent-1-ena(c)phenanthrene-9,10-diolA 86929: a selective dopamine D1 agonists; structure given in first source
brl 37344BRL 37344: SB 206606 is the (R,R)-isomermonocarboxylic acid
ro 64-6198Ro 64-6198: an orphanin FQ/nociceptin receptor agonist; structure in first source
l 772405L 772405: an h5-HT(1D) receptor agonist; structure in first source
px-866PX-866 : An organic heterotetracyclic compound that is obtained from wortmanin via aminolysis of its furan ring by diallyl amine.

PX-866: inhibitor of phosphoinositide-3-kinase signaling with antitumor activity; structure in first source
acetate ester;
delta-lactone;
organic heterotetracyclic compound;
tertiary amino compound
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
cyclic(arg-gly-asp-d-phe-val)
mk-0429
rwj-56110RWJ-56110: a PAR-1 antagonist; structure in first source
ala-thr-trp-leu-pro-pro-arg
st 1535
s 21007
sb258741
ripasudilisoquinolines
f 13640befiradol: a selective serotonin 5-HT1A receptor agonist
[2-[[2-[(dimethylamino)methyl]phenyl]thio]-5-iodophenyl]methanolaryl sulfide
osi 930OSI 930: inhibits both receptor tyrosine kinase Kit and kinase insert domain receptor; structure in first sourcearomatic amide
sb 273005
s 33084S 33084: a dopamine D3 receptor antagonist; structure in first source
(1rs,1's)-peaqx
ki 20227
gw 9578GW 9578: a peroxisome proliferator-activated receptor alpha agonist; structure in first source
yf 476YF 476: gastrin and CCK-B receptor antagonist; structure in first source
scio-469SCIO-469: a small-molecule p38 mitogen-activated protein (MAP) kinase inhibitor for potential oral therapy for inflammatory disorders; in phase lib clinical trials for rheumatoid arthritis 4/2004

talmapimod : An indolecarboxamide obtained by formal condensation of the carboxy group of 6-chloro-3-[(dimethylamino)(oxo)acetyl]-1-methylindole-5-carboxylic acid with the secondary amino group of (2S,5R)-1-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine. It is a potent inhibitor of MAPK and exhibits anti-cancer properties.
aromatic amide;
aromatic ketone;
chloroindole;
dicarboxylic acid diamide;
indolecarboxamide;
monofluorobenzenes;
N-acylpiperazine;
N-alkylpiperazine
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
cp 7247142-methoxy-N-(3-(4-((3-methyl-4-((6-methyl-3-pyridinyl)oxy)phenyl)amino)-6-quinazolinyl)-2-propenyl)acetamide: CP-724714 is the ((2E)-isomer, 1:1.5 succinate); structure in first source2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamideantineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
hepatotoxic agent
pi103PI103: pyridofuropyrimidine antineoplastic; a potent inhibitor of class I phosphatidylinositide 3-kinases (PI3K); structure in first sorucearomatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
n-((1s,trans)-2-hydroxycyclopentyl)adenosineN-((1S,trans)-2-hydroxycyclopentyl)adenosine: structure given in first source; an adenosine A1 receptor agonistpurine nucleoside
slv 313
nnc 05-2090NNC 05-2090: structure given in first sourcecarbazoles
fauc 346FAUC 346: a D3 dopamine receptor antagonist; structure in first source
hmn-214(E)-4-(2-(2-(N-acetyl-N-(4-methoxybenzenesulfonyl)amino)stilbazole)) 1-oxide: an antineoplastic agent; structure in first source
vuf 22745-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-2,2-diphenylpentanenitrile: an inverse agonist of human cytomegalovirus; structure in first source
ngb 2904NGB 2904: a dopamine D3 receptor antagonist; structure in first sourcefluorenes
2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine
y 27632, dihydrochloride, (4(r)-trans)-isomer
u 92016a
sr 14150SR 14150: mixed NOP and mu-opioid receptor ligand and antinociceptive; structure in first source
ly 255582
4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl)-1-(4-fluorophenyl)butan-1-one: structure in first source
flb 457FLB 457: RN given refers to parent cpd without isomeric designation; structure given in first source
fty 720pfingolimod phosphate : A primary amino compound that is fingolimod in which one on the hydroxy groups has been converted into its dihydrogen phosphate derivative. It is the active metabolite of fingolimod.monoalkyl phosphate;
primary alcohol;
primary amino compound
antineoplastic agent;
immunosuppressive agent;
sphingosine-1-phosphate receptor agonist
l 838,417L 838,417: structure in first source
bn 52020
pnu 109291PNU 109291: 5-HT(1D) receptor agonist; structure in first source
pnu 96415epiperazines
2-(2-(4-chlorophenyl)ethoxy)adenosine2-(2-(4-chlorophenyl)ethoxy)adenosine: a adenosine A2A receptor agonist
sb 269,652
sb 705498SB 705498: structure in first source
tivozanibN-(2-chloro-4-((6,7-dimethoxy-4-quinolyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)urea: KNR-951 is the HCl, monohydrate salt; an antineoplastic agent; structure in first sourcearomatic ether
6'-guanidinonaltrindole6'-guanidinonaltrindole: a tissue-selective analgesic; structure in first source
hki 272nitrile;
quinolines
antineoplastic agent;
tyrosine kinase inhibitor
mk 936
perampanelperampanel : A member of the class of bipyridines that is 2,3'-bipyridin-6'-one substituted at positions 1' and 5' by phenyl and 2-cyanophenyl groups respectively. Used as an adjunctive therapy for the treatment of partial-onset seizures in patients with epilepsy.bipyridines;
nitrile;
pyridone
AMPA receptor antagonist;
anticonvulsant
tofacitinibtofacitinib : A pyrrolopyrimidine that is pyrrolo[2,3-d]pyrimidine substituted at position 4 by an N-methyl,N-(1-cyanoacetyl-4-methylpiperidin-3-yl)amino moiety. Used as its citrate salt to treat moderately to severely active rheumatoid arthritis.N-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound
antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
ry 024RY 024: structure in first source
ly 404187LY 404187: structure in first source
ac 2605844-(3-(4-butylpiperidin-1-yl)propyl)-7-fluoro-4H-benzo(1,4)oxazin-3-one: structure in first source
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide
n-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2h)-carboxamideN-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2H)-carboxamide: a vanilloid receptor 1 antagonist and analgesic; structure in first sourcepiperazines;
pyridines
arginyl-glycyl-aspartyl-valine
cediranibaromatic ether
bay-68-4986
4-n-butyl-1-(4-(2-methylphenyl)-4-oxo-1-butyl)-piperidine hydrogen chloride
3-iodothyronamine3-iodothyronamine: a thyroid hormone derivative that may be involved in a fast response signaling pathway; structure in first sourcearomatic ether
n,n-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochloridearomatic ether;
hydrochloride;
methoxybenzenes;
tertiary amino compound
antipsychotic agent;
receptor modulator
bio 1211BIO 1211: integrin alpha4beta1 inhibitor; structure in first source
vortioxetinevortioxetine : An N-arylpiperazine in which the aryl group is specified as 2-[(2,4-dimethylphenyl)sulfanyl]phenyl. Used (as its hydrobromide salt) for treatment of major depressive disorder.

Vortioxetine: A piperazine derivative that acts as a serotonin reuptake inhibitor, as a 5-HT3 receptor antagonist, and 5-HT1A receptor agonist. It is used for the treatment of anxiety and depression.
aryl sulfide;
N-arylpiperazine
antidepressant;
anxiolytic drug;
serotonergic agonist;
serotonergic antagonist
pwz-029PWZ-029: a compound with moderate inverse agonist functional selectivity at GABA(A) receptors containing alpha5 subunits, improves passive, but not active, avoidance learning in rats; structure in first source
CAY10435oxazolopyridine
1-phenyl-3-dimethylamino-1,2,3,4-tetrahydronaphthalene1-phenyl-3-dimethylamino-1,2,3,4-tetrahydronaphthalene: a 5-HT2C agonist and 5-HT2A,2B antagonist; RN refers to (trans)-isomer; a phenylaminotetralin; structure given in first source
n-((1-allyl-2-pyrrolidinyl)methyl)-5-(3-fluoropropyl)-2,3-dimethoxybenzamideN-((1-allyl-2-pyrrolidinyl)methyl)-5-(3-fluoropropyl)-2,3-dimethoxybenzamide: structure in first source
arachidonoylserotoninarachidonoylserotonin: an NSAID with antinociceptive activity; fatty acid amide hydrolase inhibitor; structure in first source

N-arachidonoylserotonin : An N-acylserotonin obtained by formal condensation of the carboxy group of arachidonic acid with the primary amino group of serotonin.
N-acylserotonin;
phenols
anti-inflammatory agent;
anticonvulsant;
antioxidant;
capsaicin receptor antagonist;
EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor;
human metabolite;
signalling molecule
sb-656104-aSB-656104-A: structure in first source
LSM-1328sesquiterpenoid
sb-612111
2-carbomethoxy-8-(3-fluoropropyl)-3-(4-iodophenyl)tropane2-carbomethoxy-8-(3-fluoropropyl)-3-(4-iodophenyl)tropane: used in PET and SPECT imaging of dopamine transporters; structure in first source
diacylglycerol pyrophosphate1,2-dioctanoyl-sn-glycerol 3-diphosphate : A 1,2-diacyl-sn-glycerol 3-diphosphate in which both of the phosphatidyl acyl groups are specified as octanoyl.1,2-diacyl-sn-glycerol 3-diphosphate;
octanoate ester
caproctaminecaproctamine: an M1 and M3 receptor antagonist; also inhibits acetylcholinesterase; structure in first source
deltorphin i, ala(2)-deltorphin I, Ala(2)-: isolated from skin extracts of frogs belonging to the genus Phyllomedusa; has affinity to opioid receptorspeptide
ly 389795LY 389795: a group II metabotropic glutamate receptor agonist; structure in first source
pimavanserinpimavanserin : A member of the class of ureas in which three of the four hydrogens are replaced by 4-fluorobenzyl, 1-methylpiperidin-4-yl, and 4-(isopropyloxy)benzyl groups. An atypical antipsychotic that is used (in the form of its tartrate salt) for treatment of hallucinations and delusions associated with Parkinson's disease.

pimavanserin: A 5-HT(2A) inverse agonist; ACP-103 is the dihydroxybutanedioate (2:1) salt. It is used to treat hallucinations and delusions associated with PARKINSON DISEASE; structure in first source.
aromatic ether;
monofluorobenzenes;
piperidines;
tertiary amino compound;
ureas
5-hydroxytryptamine 2A receptor inverse agonist;
antipsychotic agent;
serotonergic antagonist
masitinib1,3-thiazoles;
benzamides;
N-alkylpiperazine;
pyridines
antineoplastic agent;
antirheumatic drug;
tyrosine kinase inhibitor
vorapaxarvorapaxar : A carbamate ester that is the ethyl ester of [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethynyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-yl]carbamic acid. A protease-activated receptor-1 antagonist used (as its sulfate salt) for the reduction of thrombotic cardiovascular events in patients with a history of myocardial infarction (MI) or with peripheral arterial disease. It has been shown to reduce the rate of a combined endpoint of cardiovascular death, MI, stroke and urgent coronary revascularisation.

vorapaxar: has antiplatelet activity; structure in first source
carbamate ester;
lactone;
naphthofuran;
organofluorine compound;
pyridines
cardiovascular drug;
platelet aggregation inhibitor;
protease-activated receptor-1 antagonist
n,n-dimethyl-2-(2-amino-4-methylphenylthio)benzylamine
8-carboxamidocyclazocine8-carboxamidocyclazocine: structure in first source
ly-2157299LY-2157299 : A pyrrolopyrazole that is 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole which is substituted at positions 2 and 3 by 6-methylpyridin-2-yl and 6-(aminocarbonyl)quinolin-4-yl groups, respectively. A Transforming growth factor-betaRI (TGF-betaRI) kinase inhibitor, it blocks TGF-beta-mediated tumor growth in glioblastoma.

LY-2157299: an orally active transforming growth factor beta receptor (TGF-beraR) kinase inhibitor
aromatic amide;
methylpyridines;
monocarboxylic acid amide;
pyrrolopyrazole;
quinolines
antineoplastic agent;
TGFbeta receptor antagonist
tert-butyl peroxybenzoate
pazopanibpazopanib : A pyrimidine that is 5-(pyrimidin-2-yl}amino-2-methylbenzenesulfonamide substituted at position 4 by a (2,3-dimethylindazol-6-yl)(methyl)amino group. Used as its hydrochloride salt for treatment of kidney cancer.

pazopanib: a protein kinase inhibitor
aminopyrimidine;
indazoles;
sulfonamide
angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
opc-14857OPC-14857: metabolite of aripiprazole; structure in first source
2-(2-furanyl)-7-(2-(4-(4-(2-methoxyethoxy)phenyl)-1-piperazinyl)ethyl)-7h-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidine-5-amine
azd 6244AZD 6244: a MEK inhibitorbenzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
desnitroimidaclopriddesnitroimidacloprid: a nicotinic receptor agonist; structure in first source
5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1h-indole5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole: a 5-HT6 agonist; structure in first sourceindoles
su 148135-((5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide: has both antineoplastic and antiangiogenic activities; structure in first source
gsk215083GSK215083: a PET radioligand for 5-HT6 receptor; structure in first source
dianiclinedianicline: an alpha4beta2 nicotinic receptor agonist; may be useful as an aid in quitting smoking; structure in first source
bibw 2992aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound
antineoplastic agent;
tyrosine kinase inhibitor
ly 379268LY 379268 : An organic heterobicyclic compound that is (1R,5S)-2-oxabicyclo[3.1.0]hexane carrying amino, carboxy, and carboxy groups at positions 4R, 4R and 6R, respectively. It is a potent agonist of group II metabotropic glutamate receptors mGluR2 and mGluR3 (EC50 = 2.69 nM and 4.48 nM, respectively) that exhibits antipsychotic-like action in animal models of schizophrenia.

LY 379268: group II metabotropic glutamate receptor agonist; structure in first source
amino dicarboxylic acid;
bridged compound;
organic heterobicyclic compound
antipsychotic agent;
anxiolytic drug;
metabotropic glutamate receptor agonist;
neuroprotective agent
77-lh-28-177-LH-28-1: a CNS penetrant, selective M1 muscarinic receptor agonist, structure in first source
vuf 8504
crispine acrispine A: pyrrolo(2,1-a)isoquinoline alkaloid from Carduus crispus; structure in first source
n,n-dimethyl-2-(2-amino-4-fluorophenylthio)benzylamineN,N-dimethyl-2-(2-amino-4-fluorophenylthio)benzylamine: structure in first sourcearyl sulfide
fauc 365FAUC 365: a dopamine D3 receptor antagonist; structure in first source
binimetinibbinimetinib : A member of the class of benzimidazoles that is 1-methyl-1H-benzimidazole which is substituted at positions 4, 5, and 6 by fluorine, (4-bromo-2-fluorophenyl)nitrilo, and N-(2-hydroxyethoxy)aminocarbonyl groups, respectively. It is a MEK1 and MEK2 inhibitor (IC50= 12 nM). Approved by the FDA for the treatment of patients with unresectable or metastatic melanoma with a BRAF V600E or V600K mutation in combination with encorafenib.benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monofluorobenzenes;
secondary amino compound
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
jyl 1421JYL 1421: a vanilloid receptor antagonist; structure in first source
sb-649915SB-649915: potent 5-HT1A and 5-HT1B autoreceptor antagonist and 5-HT re-uptake inhibitor
sotrastaurinsotrastaurin : A member of the class of maleimides that is maleimide which is substituted at position 3 by an indol-3-yl group and at position 4 by a quinazolin-4-yl group, which in turn is substituted at position 2 by a 4-methylpiperazin-1-yl group. It is a potent and selective inhibitor of protein kinase C and has been investigated as an immunosuppresant in renal transplant patients.

sotrastaurin: a potent protein kinase C-selective inhibitor; structure in first source
indoles;
maleimides;
N-alkylpiperazine;
N-arylpiperazine;
quinazolines
anticoronaviral agent;
EC 2.7.11.13 (protein kinase C) inhibitor;
immunosuppressive agent
aee 788AEE 788: structure in first source6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amineangiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist;
trypanocidal drug
saracatinibaromatic ether;
benzodioxoles;
diether;
N-methylpiperazine;
organochlorine compound;
oxanes;
quinazolines;
secondary amino compound
anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
radiosensitizing agent
akuammicineakuammicine : A monoterpenoid indole alkaloid with formula C20H22N2O2, isolated from several plant species including Alstonia spatulata, Catharanthus roseus and Vinca major.

akuammicine: from Strychnos sp;; structure in first source
methyl ester;
monoterpenoid indole alkaloid;
organic heteropentacyclic compound;
tertiary amino compound
plant metabolite
11-hydroxy-n-(n-propyl)noraporphine hydrochloride, (r)-isomer
fauc 213
way-208466
vx 702VX 702: a p38 MAP kinase inhibitorphenylpyridine
kasparkaspar: structure given in first source
crenolanibaminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
pawhuskin apawhuskin A: geranyl stilbene from Dalea purpurea; structure in first source
ki164253-[({4-[4-({[1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid : A member of the class of isoxazoles that is the carbamate ester obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)ethyl hydrogen carbonate with the amino group of 3-({[4-(4-amino-3-methyl-1,2-oxazol-5-yl)phenyl]methyl}sulfanyl)propanoic acid.carbamate ester;
isoxazoles;
monocarboxylic acid;
monochlorobenzenes;
organic sulfide
batefenterolbatefenterol: a bronchodilator
m-chlorophenylguanidine
n(6)-(2,2-diphenylethyl)adenosineN(6)-(2,2-diphenylethyl)adenosine: adenosine receptor agonist; structure given in first source
cgs 24012CGS 24012: adenosine agonist with both high affinity & selectivity for the adenosine A2 receptor
9-(aminomethyl)-9,10-dihydroanthracene9-(aminomethyl)-9,10-dihydroanthracene: 5HT2A receptor antagonist; structure in first source
methylhistaprodifen
n-cyclopropyl adenosine-5'-carboxamide
fauc 113
desmethoxyfallypridedesmethoxyfallypride: structure given in first source
meridianin ameridianin A: structure in first source
2-(3',4',5',6'-tetrahydro-2'h-(2,4') bipyridinyl-1'-yl)-n-m-tolyl-acetamide
tg100-1153,3'-(2,4-diaminopteridine-6,7-diyl)diphenol: for treatment of ischemia reperfusion injury; structure in first sourcepteridines
cc 401CC 401: an anthrapyrazolonepyrazoles;
ring assembly
bms 599626
3-amino-4-(2-dimethylaminomethylphenylsulfanyl)benzonitrile3-amino-4-(2-dimethylaminomethylphenylsulfanyl)benzonitrile: a serotonin transporter antagonist; structure in first source
histaprodifen
6-deoxy-6-fluoronaltrexone6-deoxy-6-fluoronaltrexone: RN given refers to (5alpha,6beta)-isomer; RN for cpd without isomeric designation not available 2/91; opiate antagonist suitable for positron emission tomography
(5R)-9-bromo-5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diolbenzazepine
exel-7647tesevatinib : A member of the class of quinazolines that is quinazoline substituted by (3,4-dichloro-2-fluorophenyl)amino, methoxy, and [(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy groups at positions 4, 6 and 7, respectively. It is a multi-target tyrosine kinase inhibitor of EGFR, ErbB2, KDR, Flt4 and EphB4 and exhibits anti-cancer properties.
snap 5114
e 5555E 5555: a 2-iminopyridine derivative and platelet aggregation inhibitoraromatic ketone
volasertibBI 6727: a polo-like kinase inhibitor with broad antitumor activity; structure in first source
pha 665752dichlorobenzene;
enamide;
indolones;
N-acylpyrrolidine;
pyrrolecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide
antineoplastic agent;
c-Met tyrosine kinase inhibitor
batatasin-iiistilbenoid
PB28PB28 : A member of the class of tetralins that is tetralin that is substituted by 3-(4-cyclohexylpiperazin-1-yl)propyl and methoxy groups at positions 1 and 5, respectively. It is a sigma 2 (sigma2) receptor agonist (Ki = 0.68 nM) and exhibits antineoplastic and anti SARS-CoV-2 activities.aromatic ether;
piperazines;
tetralins
anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist
dynorphin (1-17)
sch 442416SCH 442416: an adenosine A2A receptor ligandtriazolopyrimidines
dynorphin a (1-11)-amide
vl-0395VL-0395: structure in first source
1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfonyl)piperidine1-(2,4-difluorophenethyl)-4-(4-fluorophenylsulfonyl)piperidine: a 5-HT2A receptor antagonist; structure in first source
ucn 1028 ccalphostin C: structure given in first source; isolated from Cladosporium cladosporioides
1-phenyl-2-(1-pyrrolidinyl)-1-pentanonealpha-pyrrolidinovalerophenone: a designer drug; structure in first source
azd 7762aromatic amide;
thiophenes
cariprazinecariprazine : An N-alkylpiperazine that is N,N-dimethyl-N'-{trans-4-[2-(piperazin-1-yl)ethyl]cyclohexyl}urea substituted at position 4 on the piperazine ring by a 2,3-dichlorophenyl group. Used (as the hydrochloride salt) for treatment of schizophrenia and bipolar disorder.

cariprazine: Structure in first source
regorafenib(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide
antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor
barettinbarettin: isolated as a Z/E mixture from sponge Geodia barretti; structure in first sourceorganic molecular entity
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-onemethoxybenzenes;
substituted aniline
brivanibaromatic ether;
diether;
fluoroindole;
pyrrolotriazine;
secondary alcohol
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist
naphyrone1-naphthalen-2-yl-2-pyrrolidin-1-ylpentan-1-one: a monoamine uptake inhibitor; structure in first source
pnu-282987
zm 252868PD-153035 hydrochloride : A hydrochloride obtained by combining PD-153035 with one equivalent of hydrochloric acid.hydrochlorideEC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist
mrs 3558
abt 102ABT 102: a TRPV1 antagonist; structure in first source
amd 070mavorixafor: a derivative of AMD3100; a CXCR4 blockeraminoquinoline
sb 7424573-benzenesulfonyl-8-piperazin-1-ylquinoline: a 5-HT6 receptor antagonist
cvt-68833-ethyl-1-propyl-8-(1-(3-trifluoromethylbenzyl)-1H-pyrazol-4-yl)-3,7-dihydropurine-2,6-dione: structure in first source
mesyl salvinorin bmesyl salvinorin B: a kappa-opioid receptor agonist; structure in first source
mp470N-arylpiperazine
rgb 286638
5-hydroxy-2-n,n-dipropylaminotetralin, (s)-isomer
np 031112tideglusib : A member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a naphthalen-1-yl group at position 2 and by a benzyl group at position 4. It is a non-ATP competitive inhibitor of glycogen synthase kinase 3beta (GSK3beta) and has neuroprotective effects. Currently under clinical investigation for the treatment of Alzheimer's disease and progressive supranuclear palsy.

tideglusib: an NSAID and neuroprotective agent
benzenes;
naphthalenes;
thiadiazolidine
anti-inflammatory agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
at 75194-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide : A member of the class of pryrazoles that is 4-amino-1H-pyrazole-3-carboxylic acid in which the primary amino group has been acylated by a 2,6-dichlorobenzoyl group and in which the carboxylic acid has been converted into a carboxamide by formal condensation with the primary amino group of 4-aminopiperidine.dichlorobenzene;
piperidines;
pyrazoles;
secondary carboxamide
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
jnj 17203212
bms-690514
bi 2536
inno-406biaryl
nvp-ast487NVP-AST487: antineoplastic; a RET kinase inhibitor that blocks growth and calcitonin gene expression through distinct mechanisms in medullary thyroid cancer cells
a 7841681-(3-(trifluoromethyl)pyridin-2-yl)-N-(4-(trifluoromethylsulfonyl)phenyl)-1,2,3,6-tetrahydropyridine-4-carboxamide: a TRPV1 antagonist
kw 2449KW 2449: has both multikinase inhibitory activity and antineoplastic activity; structure in first source
naluzotannaluzotan: an antidepressant and anti-anxiety agent; structure in first source
tiotropium bromidetiotropium bromide hydrate : A hydrate that is the monohydrate form of tiotropium bromide. Used for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease.
9-(benzoyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2h-naphtho(2,1-c)pyran-7-carboxylic acid methyl ester9-(benzoyloxy)-2-(3-furanyl)dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho(2,1-c)pyran-7-carboxylic acid methyl ester: structure in first source
basimglurant
salvinorin bsalvinorin B: from the herb, Salvia divinorum; structure in first sourcediterpene lactone
danusertibpiperazines
nvp-aew541
pg 01037
abt 869aromatic amine;
indazoles;
phenylureas
angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
azd 8931sapitinib : A member of the class of quinazolines that is 4-amino-7-methoxyquinazoline in which the amino group has been substituted by a 3-chloro-2-fluorophenyl group and in which position 6 of the quinoline ring has been substituted by a {1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl}oxy group. Sapitinib is a dual tyrosine kinase inhibitor (TKI) of epithelial growth factor receptors (EGFR) HER2 and HER3.aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
tertiary amino compound
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist
arq 197indoles
way 207024
azd 1152AZD-1152 : A member of the of quinazolines that is 4-aminoquinazolin-7-ol in which the amino group at position 4 has been substituted by a 5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl group, while the hydroxy group at position 7 has been converted into the corresponding 3-[ethyl(2-hydroxyethyl)aminopropyl ether.anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound
antineoplastic agent;
Aurora kinase inhibitor;
prodrug
ly2183240LY2183240: structure in first sourcebiphenyls
pf 00299804dacomitinib : A member of the class of quinazolines that is 7-methoxyquinazoline-4,6-diamine in which the amino group at position 4 is substituted by a 3-chloro-4-fluorophenyl group and the amino group at position 6 is substituted by an (E)-4-(piperidin-1-yl)but-2-enoyl group.

dacomitinib: a pan-ERBB inhibitor
enamide;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound
antineoplastic agent;
epidermal growth factor receptor antagonist
methylphenidateN-phenyl-4-(quinolin-2-ylmethyl)piperazine-1-carboxamide: a fatty acid amide hydrolase inhibitor; structure in first source
aclidinium bromideaclidinium bromide : A quaternary ammonium salt that is the bromide salt of aclidinium. A muscarinic acetylcholine M3 receptor antagonist, for the long-term maintenance treatment of bronchospasm associated with chronic obstructive pulmonary disease (COPD).

aclidinium bromide: a long-acting, inhaled antimuscarinic; in phase I trial 8/2008
organic bromide salt;
quaternary ammonium salt
bronchodilator agent;
muscarinic antagonist
snap7941SNAP7941: structure in first source
ridaforolimusmacrolide lactam
a 794282
bencycloquidium bromidebencycloquidium bromide: structure in first source
5-hydroxy-2-(2-phenylethyl)chromone5-hydroxy-2-(2-phenylethyl)chromone: neuroprotective compound from rhizomes of Imperata cylindrica; structure in first source
ly2033298
ch 4987655
6-(5-((cyclopropylamino)carbonyl)-3-fluoro-2-methylphenyl)-n-(2,2-dimethylprpyl)-3-pyridinecarboxamidephenylpyridine
le 404
mrk 560MRK 560: a gamma-secretase inhibitor; MRK-560 is the (cis)-isomer; structure in first source
cc-930
n-methylepibatidineN-methylepibatidine: structure in first source
cannabidivarincannabidivarin: from Cannabis sativamonoterpenoid
ino-8875INO-8875: structure in first source
gw 25805-(3-methoxy-4-((4-methoxybenzyl)oxy)benzyl)pyrimidine-2,4-diamine: a cFMS kinase inhibitor; structure in first source
tozadenanttozadenant: an adenosine A2A receptor antagonistbenzothiazoles
tak 285N-(2-(4-((3-chloro-4-(3-(trifluoromethyl)phenoxy)phenyl)amino)-5H-pyrrolo(3,2-d)pyrimidin-5-yl)ethyl)-3-hydroxy-3-methylbutanamide: also inhibits HER2; structure in first source
milnacipranacetamides
idelalisibidelalisib : A member of the class of quinazolines that is 5-fluoro-3-phenylquinazolin-4-one in which the hydrogen at position 2 is replaced by a (1S)-1-(3H-purin-6-ylamino)propyl group. used for for the treatment of refractory indolent non-Hodgkin's lymphoma and relapsed chronic lymphocytic leukemia.

idelalisib: an antineoplastic agent and p110delta inhibitor; structure in first source
aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound
antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
crizotinibcrizotinib : A 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine that has R configuration at the chiral centre. The active enantiomer, it acts as a kinase inhibitor and is used for the treatment of patients with locally advanced or metastatic non-small cell lung cancer (NSCLC)

Crizotinib: A piperidine and aminopyridine derivative that acts as an inhibitor of RECEPTOR PROTEIN-TYROSINE KINASES, including ANAPLASTIC LYMPHOMA KINASE (ALK) and HEPATOCYTE GROWTH FACTOR RECEPTOR (HGFR; c-Met). It is used in the treatment of NON-SMALL CELL LUNG CANCER.
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amineantineoplastic agent;
biomarker;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
atl 313ATL 313: A2A adenosine receptor agonist
osi 906cyclobutanes;
quinolines
ro 49563712-chloro-4-((2,5-dimethyl-1-(4-(trifluoromethoxy)phenyl)-1H-imidazol-4-yl)ethynyl)pyridine: a metabotropic glutamate receptor 5 antagonist; structure in first source
zstk474ZSTK-474 : A triamino-1,3,5-triazine that is 1,3,5-triazine in which two of the hydrogens have been replaced by morpholin-4-yl groups while the third hydrogen has been replaced by a 2-(difluoromethyl)benzimidazol-1-yl group. It is an inhibitor of phosphatidylinositol 3-kinase.benzimidazoles;
morpholines;
organofluorine compound;
triamino-1,3,5-triazine
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
chir-265aromatic ether
dov 21947
lorcaserinlorcaserin : A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine substituted at position 1 by a methyl group and a t position 6 by a chloro group.

lorcaserin: orally active, small-molecule 5-hydroxytryptamine 2C agonist for the potential treatment of obesity and diabetes
benzazepine;
organochlorine compound
anti-obesity agent;
appetite depressant
motesanibpyridinecarboxamide
fostamatinibfostamatinib: a spleen tyrosine kinase (Syk) inhibitor, metabolized to R406
psb 361-butyl-8-(3-noradamantyl)-3-(3-hydroxypropyl)xanthine: an A1 receptor antagonistoxopurine
trametinibacetamides;
aromatic amine;
cyclopropanes;
organofluorine compound;
organoiodine compound;
pyridopyrimidine;
ring assembly
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector
mln8054benzazepine
pf-562,271indoles
pha 767491PHA 767491: a Cdc7 inhibitor; structure in first sourcepyrrolopyridine
GDC-0879indanes;
ketoxime;
primary alcohol;
pyrazoles;
pyridines
antineoplastic agent;
B-Raf inhibitor
2-((2-((dimethylamino)methyl)phenyl)thio)-5-iodophenylamine2-((2-((dimethylamino)methyl)phenyl)thio)-5-iodophenylamine: structure in first source
td-4208revefenacin: structure in first source
gsk598809GSK598809: a dopamine D3 receptor antagonist
lj 529
td-5108TD-5108: a selective 5-HT(4) receptor agonist with high intrinsic activity; structure in first source
jnj-26483327JNJ-26483327: an orally active macrocyclic tyrosine kinase inhibitor for treatment of patients with advanced solid tumours; in Phase I trial, 9/2010
ly2603618ureas
7-hydroxy-2-n,n-dipropylaminotetralin hydrobromide
2-(n-phenethyl-n-propyl)amino-5-hydroxytetralin hydrochloride
N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromideN-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol hydrobromide : A hydrobromide salt prepared from N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol and one equivalent of hydrogen bromide. Dopamine D1-like receptor partial agonist (Ki values are 1.18, 7.56, 920 and 399 nM for rat D1, D5, D2 and D3 receptors respectively). May act as an antagonist in vivo, producing anti-Parkinsonian effects and antagonising the behavioral effects of cocaine.hydrobromidedopamine agonist;
prodrug
scopolamine hydrobromide
tg100801
dactolisibdactolisib : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 4-(1-cyanoisopropyl)phenyl group and at position 8 by a quinolin-3-yl group. A dual PI3K/mTOR inhibitor used in cancer treatment.

dactolisib: antineoplastic agent that inhibits both phosphatidylinositol 3-kinase and mTOR
imidazoquinoline;
nitrile;
quinolines;
ring assembly;
ureas
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
bgt226BGT226 : The maleate salt of 8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one. A dual PI3K/mTOR inhibitor.

BGT226 free base : An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 3-trifluoromethyl-4-(piperazin-1-yl)phenyl group and at position 8 by a 6-methoxypyridin-3-yl group. A dual PI3K/mTOR inhibitor.
aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
brexpiprazolebrexpiprazole: a serotonin agent; structure in first sourceN-arylpiperazine
sazetidine-asazetidine-A: a ligand that desensitizes alpha4beta2 nicotinic acetylcholine receptors without activating them; structure in first source
ns 92833-(3-(pyridine-3-yl)-1,2,4-oxadiazol-5-yl)benzonitrile: an alpha4beta2 nAChR agonist
4-(4-chlorophenyl)sulfonyl-5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-ethylsulfonylthiazoleisoquinolines
[9-(benzenesulfonyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-8-yl]-(4-methylphenyl)methanonearomatic ketone;
quinolines
4-methylbenzoic acid [6-[[[5-[[cyclopropyl(oxo)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]-4-oxo-3-pyranyl] esterbenzoate ester
2,5-dimethoxy-4-bromoamphetamine, (r)-isomer
octoclothepine, (s)-isomer
14-o-methyloxymorphone14-O-methyloxymorphone: highly selective and potent mu opioid receptor agonist; structure in first source
etoxadroletoxadrol: was heading 1975-94 (see under PIPERIDINES 1975-90); use PIPERIDINES to search ETOXADROL 1975-90; dissociative anesthetic with some cardiovascular effectsketal
ncq 298NCQ 298: structure given in first source
omdm 169OMDM 169: has antinociceptive activity; structure in first source
methoxydine1-(1-(4-methoxyphenyl)cyclohexyl)piperidine: a glutamate NMDA receptor ligand; structure in first source
3-bromocytisine3-bromocytisine: structure in first source
mitragynine, (3beta,16e,20beta)-isomer
mitragyninespeciogynine: structure in first source
2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-nitrophenyl)acetamideC-nitro compound
mdv 3100(trifluoromethyl)benzenes;
benzamides;
imidazolidinone;
monofluorobenzenes;
nitrile;
thiocarbonyl compound
androgen antagonist;
antineoplastic agent
af 3535-(5-iodo-2-isopropyl-4-methoxyphenoxy)pyrimidine-2,4-diamine: a P2X3 and P2X2/3 receptor antagonist; structure in first source
gsk 461364GSK 461364: an antineoplastic agent that inhibits polo-like kinase 1(trifluoromethyl)benzenes
2-(2-methoxyanilino)-8-[(3-methyl-1-piperidinyl)-oxomethyl]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-oneN-acylpiperidine
amg 517
azd 1152-hqpaAZD2811: has antineoplastic activity; structure in first sourceanilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound
antineoplastic agent;
Aurora kinase inhibitor
2-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)thio]-N-(3-methoxypropyl)acetamideacridines
5-chloro-2-[(4-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamidepyrimidinecarboxamide
5-chloro-2-[(3-methylphenyl)methylsulfonyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-pyrimidinecarboxamidepyrimidinecarboxamide
4-(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-(phenylmethyl)butanamidebenzoxazine
N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamidesulfonamide
[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)-4-piperidinyl]methanonepiperazines
3-[3,5-dimethyl-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-pyrazolyl]-N-(3-fluorophenyl)propanamideanilide
3-[3,5-dimethyl-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-pyrazolyl]-N-(3-fluoro-4-methylphenyl)propanamideanilide
3,5-dimethoxy-N-[1-[oxo(thiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]benzamidequinolines
nvp-tae684piperidines
a 803467A 803467: an Nav1.8 sodium channel blocker; structure in first source
enmd 2076ENMD 2076: an antiangiogenic agent with aurora kinase inhibitory and antineoplastic activities
N-(3-ethynylphenyl)-6,7-dimethoxy-4-quinazolinaminequinazolines
morphine sulfatealkaloid sulfate salt
3,4-dicarboxyphenylglycine
alx 1393ALX 1393: a GlyT2 inhibitor
e 7050aromatic ether
2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)-7-pyrido[2,3-d]pyrimidinonepyrazolopyridine
tak-901
nociceptinorganic molecular entity;
polypeptide
human metabolite;
rat metabolite
alamethicinAlamethicin: A cyclic nonadecapeptide antibiotic that can act as an ionophore and is produced by strains of Trichoderma viride. (From Singleton & Sainsbury, Dictionary of Microbiology and Molecular Biology, 2d ed)
dynorphin (1-17)
gdc-0973cobimetinib : A member of the class of N-acylazetidines obtained by selective formal condensation of the carboxy group of 3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid with the secondary amino group from the azetidine ring of 3-[(2S)-piperidin-2-yl]azetidin-3-ol. An inhibitor of mitogen-activated protein kinase that is used (as its fumarate salt) in combination with vemurafenib for the treatment of patients with unresectable or metastatic melanoma.

cobimetinib: has antineoplastic activity; structure in first source
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
buparlisibNVP-BKM120: a pan class I PI3 kinase inhibitor with antineoplastic activity; structure in first sourceaminopyridine;
aminopyrimidine;
morpholines;
organofluorine compound
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
azd 1480
azd8330pyridinecarboxamide
phenylmercuric acetatePhenylmercuric Acetate: A phenyl mercury compound used mainly as a fungicide. Has also been used as a herbicide, slimicide, and bacteriocide.arylmercury compound;
benzenes
thimerosalthimerosal : An alkylmercury compound (approximately 49% mercury by weight) used as an antiseptic and antifungal agent.

Thimerosal: An ethylmercury-sulfidobenzoate that has been used as a preservative in VACCINES; ANTIVENINS; and OINTMENTS. It was formerly used as a topical antiseptic. It degrades to ethylmercury and thiosalicylate.
alkylmercury compoundantifungal drug;
antiseptic drug;
disinfectant;
drug allergen
pha 848125N,1,4,4-tetramethyl-8-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxamide: a cyclin dependent kinase inhibitor
ro5126766CH5126766 : A member of the class of coumarins that is 4-methyl-7-[(pyrimidin-2-yl)oxy]coumarin carrying an additional [2-[(methylaminosulfonyl)amino]-3-fluoropyridin-4-yl]methyl substituent at position 3.

RO5126766: a dual MEK/RAF kinase inhibitor
aryloxypyrimidine;
coumarins;
organofluorine compound;
pyridines;
sulfamides
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
fedratinibfedratinib: a selective small-molecule inhibitor of JAK2sulfonamide
gsk6906931,2,5-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
sp 2033-fluoro-5-(2-(2-(fluoromethyl)thiazol-4-yl)ethynyl)benzonitrile: a radioligand for mGlu5 receptor; structure in first source
14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene14-methyl-20-oxa-5,7,14,26-tetraazatetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8(27),9,11,16,21,23-decaene: has antineoplastic activity; also inhibits Fms-like tyrosine kinase-3; structure in first source
nvp-bhg712benzamides
ns 113943'-(5-(1-hydroxy-1-methylethyl)benzoimidazol-1-yl)biphenyl-2-carbonitrile: an anxiolytic agent; structure in first source
azd5438sulfonamide
valproate sodiumEpilim: oral sodium valproate used as antidepressive agent

sodium valproate : The sodium salt of valproic acid.

valproate : A branched-chain saturated fatty acid anion that is the conjugate base of valproic acid.
organic sodium saltgeroprotector
mavatrepmavatrep: a transient receptor potential vanilloid 1 antagonist; structure in first source
pf 04217903quinolines
gdc 0941pictrelisib : A sulfonamide composed of indazole, morpholine, and methylsulfonyl-substituted piperazine rings bound to a thienopyrimidine ring.indazoles;
morpholines;
piperazines;
sulfonamide;
thienopyrimidine
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
lu ae58054
v 20063-(4-amino-3-methylbenzyl)-7-(2-furyl)-3H-(1,2,3)triazolo(4,5-d)pyrimidine-5-amine: antiparkinson agent; structure in first source
icotinib
ph 797804PH 797804 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1-yl}-4-methylbenzoic acid with the amino group of methylamine.

PH 797804: an NSAID; structure in first source
aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone
anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
mrk-409MRK-409: GABA-A Receptor Agonists; structure in first source
4-amino-8-(2-fluoro-6-methoxy-phenyl)-n-propylcinnoline-3-carboxamide4-amino-8-(2-fluoro-6-methoxy-phenyl)-N-propylcinnoline-3-carboxamide: a GABA(A) alpha2,3 receptor modulator; structure in first source
4-amino-8-(2,5-dimethoxyphenyl)-n-propylcinnoline-3-carboxamide
yil 781YIL 781: an appetite suppressant and weight loss promoter; structure in first source
kx-01
a 8677444-(5-(4-chlorophenyl)-2-methyl-3-propionyl-1H-pyrrol-1-yl)benzenesulfonamide: positive modulator of alpha7 nicotinic acetylcholine receptor; structure in first source
u 63557a
acid blue 25
acid blue 129
2,5-dimethoxy-4-bromoamphetamine, (s)-isomer
srt1720
plx 4720PLX 4720: a B-Raf(V600E) kinase inhibitor; structure in first sourcearomatic ketone;
difluorobenzene;
organochlorine compound;
pyrrolopyridine;
sulfonamide
antineoplastic agent;
B-Raf inhibitor
vuf10166
mk 5108aromatic ether
cx 4945
cudc 1017-(4-(3-ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide: a histone deacetylase inhibitor; structure in first source
arry-614pexmetinib: inhibits both p38 mitogen-activated protein kinase and Tie2 protein
tak 593TAK 593: structure in first source
pf 04457845
mln 8237MLN 8237: an aurora kinase A inhibitorbenzazepine
sgx 523aryl sulfide;
biaryl;
pyrazoles;
quinolines;
triazolopyridazine
c-Met tyrosine kinase inhibitor;
nephrotoxic agent
bms 754807BMS 754807: an IGR-1R kinase inhibitor; structure in first sourcepyrazoles;
pyridines;
pyrrolidines;
pyrrolotriazine
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
bms 777607N-(4-(2-amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide: a Met kinase inhibitor; structure in first sourcearomatic amide
sgi 1776SGI 1776: a Pim kinase inhibitor; structure in first sourceimidazoles
am 6701
1-(1-(1-methylcyclooctyl)-4-piperidinyl)-2-((3r)-3-piperidinyl)-1h-benzimidazole1-(1-(1-methylcyclooctyl)-4-piperidinyl)-2-((3R)-3-piperidinyl)-1H-benzimidazole: anxiolytic agent; structure in first source
pci 32765ibrutinib : A member of the class of acrylamides that is (3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine in which the piperidine nitrogen is replaced by an acryloyl group. A selective and covalent inhibitor of the enzyme Bruton's tyrosine kinase, it is used for treatment of B-cell malignancies.

ibrutinib: a Btk protein inhibitor
acrylamides;
aromatic amine;
aromatic ether;
N-acylpiperidine;
pyrazolopyrimidine;
tertiary carboxamide
antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
e-55888
ponatinib(trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine
antineoplastic agent;
tyrosine kinase inhibitor
amg 900N-(4-((3-(2-amino-4-pyrimidinyl)-2-pyridinyl)oxy)phenyl)-4-(4-methyl-2-thienyl)-1-phthalazinamine: a pan-aurora kinase inhibitor; structure in first source
N-cyclopropyl-3-{4-[(cyclopropylmethyl)carbamoyl]phenyl}-4-methylbenzamideN-cyclopropyl-3-{4-[(cyclopropylmethyl)carbamoyl]phenyl}-4-methylbenzamide : A dicarboxylic acid diamide obtained by condensation of the 3- and 4'-carboxy groups of 6-methyl[1,1'-biphenyl]-3,4'-dicarboxylic acid with cyclpropylamine and cyclpropylmethylamine respectively.benzamides;
biphenyls;
cyclopropanes;
dicarboxylic acid diamide
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
mk-1775adavosertib: a Wee1 kinase inhibitor; structure in first sourcepiperazines
AMG-208aromatic ether;
quinolines;
triazolopyridazine
antineoplastic agent;
c-Met tyrosine kinase inhibitor
apalutamide
salvinorin b ethoxymethyl ethersalvinorin B ethoxymethyl ether: structure in first source
quizartinibbenzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor
at13148
rg 1678(4-(3-fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl)(5-methanesulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)phenyl)methanone: a GlyT1 inhibitor; structure in first source
tak 733
mk 2206MK 2206: a protein kinase inhibitor and antineoplastic agentorganic heterotricyclic compoundEC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
sns 314SNS 314: an aurora kinase inhibitor; structure in first sourceureas
vu0357017
lucitanibE-3810 : A hydrochloride salt obtained by reaction of 6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methyl-1-naphthamide with one equivalent of hydrochloric acid. E-3810 is a dual VEGFR and FGFR inhibitor

E-3810 free base : A naphthalenecarboxamide obtained from formal condensation of the carboxy group of aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-1-naphthoic acid with methylamine.

E-3810: a multi-kinase inhibitor with antineoplastic activity; structure in first source
aromatic ether;
cyclopropanes;
naphthalenecarboxamide;
primary amino compound;
quinolines
antineoplastic agent;
fibroblast growth factor receptor antagonist;
vascular endothelial growth factor receptor antagonist
pf-04691502
n-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamidemomelotinib : A benzamide obtained by formal condensation of the carboxy group of 4-{2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}benzoic acid with the primary amino group of aminoacetonitrile. It is an ATP-competitive JAK1/JAK2 inhibitor with IC50 of 11 nM and 18 nM, respectively. Used for the treatment of patients with intermediate- or high-risk myelofibrosis.

N-(cyanomethyl)-4-(2-((4-(4-morpholinyl)phenyl)amino)-4-pyrimidinyl)benzamide: a Janus kinase 1 and Janus kinase 2 inhibitor; structure in first source
aminopyrimidine;
benzamides;
morpholines;
nitrile;
secondary amino compound;
tertiary amino compound
anti-anaemic agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
dcc-2036rebastinib: an inhibitor of Tie2 tyrosine kinase receptor and antineoplastic agentorganofluorine compound;
phenylureas;
pyrazoles;
pyridinecarboxamide;
quinolines
tyrosine kinase inhibitor
cep 26401pyridazines;
ring assembly
pf 3246799
dynorphinsdynorphin (1-13): potent opioid peptide; see also record for dynorphin & D-Ala(2)-dynorphin (1-11)
cabozantinibcabozantinib : A dicarboxylic acid diamide that is N-phenyl-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide in which the hydrogen at position 4 on the phenyl ring is substituted by a (6,7-dimethoxyquinolin-4-yl)oxy group. A multi-tyrosine kinase inhibitor, used (as its malate salt) for the treatment of progressive, metastatic, medullary thyroid cancer.

cabozantinib: a multikinase inhibitor
aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines
antineoplastic agent;
tyrosine kinase inhibitor
n-(4-cyanophenylmethyl)-4-(2-diphenyl)-1-piperazinehexanamideN-(4-cyanophenylmethyl)-4-(2-diphenyl)-1-piperazinehexanamide: a 5-HT(7) receptor agonist
5-(ethylsulfonyl)-2-(naphthalen-2-yl)benzo(d)oxazoleezutromid: a utrophin upregulator; structure in first source
defactinib
ly2584702
N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonyl-1-piperazinyl)-1-piperidinyl]anilino]-4-pyrimidinyl]-2-imidazo[1,2-a]pyridinyl]-2-methoxybenzamidebenzamides
incb-018424nitrile;
pyrazoles;
pyrrolopyrimidine
antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
poziotinibHM781-36B: antitumor irreversible Pan-HER inhibitor for treatment of gastric canceracrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline
antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist
asp3026ASP-3026 : A member of the class of diamino-1,3,5-triazines that is 1,3,5-triazine-2,4-diamine in which the amino groups at positions 2 and 4 are respectively carrying 2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl and 2-(propan-2-ylsulfonyl)phenyl substituents. It is a potent inhibitor of anaplastic lymphoma kinase (ALK), Ack and ROS1 activity (IC50 values are 3.5, 5.8 and 8.9 nM respectively) and exhibits anti-cancer properties.

ASP3026: an anaplastic lymphoma receptor tyrosine kinase inhibitor; structure in first source
aromatic amine;
diamino-1,3,5-triazine;
monomethoxybenzene;
N-methylpiperazine;
piperidines;
secondary amino compound;
sulfone
antimalarial;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
EC 6.1.1.6 (lysine--tRNA ligase) inhibitor
entrectinibentrectinib : A member of the class of indazoles that is 1H-indazole substituted by [4-(4-methylpiperazin-1-yl)-2-(tetrahydro-2H-pyran-4-ylamino)benzoyl]amino and 3,5-difluorobenzyl groups at positions 3 and 5, respectively. It is a potent inhibitor of TRKA, TRKB, TRKC, ROS1, and ALK (IC50 values of 0.1 to 1.7 nM), and used for the treatment of NTRK, ROS1 and ALK gene fusion-positive solid tumours.

entrectinib: inhibits TRK, ROS1, and ALK receptor tyrosine kinases; structure in first source
benzamides;
difluorobenzene;
indazoles;
N-methylpiperazine;
oxanes;
secondary amino compound;
secondary carboxamide
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
pexidartinibpexidartinib : A pyrrolopyridine that is 5-chloro-1H-pyrrolo[2,3-b]pyridine which is substituted by a [6-({[6-(trifluoromethyl)pyridin-3-yl]methyl}amino)pyridin-3-yl]methyl group at position 3. It is a potent multi-targeted receptor tyrosine kinase inhibitor of CSF-1R, KIT, and FLT3 (IC50 of 20 nM, 10 nM and 160 nM, respectively). Approved by the FDA for the treatment of adult patients with symptomatic tenosynovial giant cell tumor (TGCT).

pexidartinib: inhibits both CSF1R and c-kit receptor tyrosine kinase; structure in first source
aminopyridine;
organochlorine compound;
organofluorine compound;
pyrrolopyridine;
secondary amino compound
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
TAK-580MLN 2480: brain-penetrant RAF dimer antagonist

TAK-580 : A 1,3-thiazolecarboxamide that is 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylic acid in which the carboxy group undergoes formal condensation with the amino group of 5-chloro-4-(trifluoromethyl)pyridin-2-amine and in which the amino group undergoes formal condensation with the carboxy group of 6-amino-5-chloropyrimidine-4-carboxylic acid. It is a pan-RAF kinase inhibitor which is currently in clinical development for the treatment of radiographically recurrent or progressive low-grade glioma in children and young adults.
1,3-thiazolecarboxamide;
aminopyrimidine;
chloropyridine;
organofluorine compound;
pyrimidinecarboxamide;
secondary carboxamide
antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor
gsk 2126458omipalisib : A member of the class of quinolines that is quinoline which is substituted by pyridazin-4-yl and 5-[(2,4-difluorobenzene-1-sulfonyl)amino]-6-methoxypyridin-3-yl groups at positions 4 and 6, respectively. It is a highly potent inhibitor of PI3K and mTOR developed by GlaxoSmithKline and was previously in human phase 1 clinical trials for the treatment of idiopathic pulmonary fibrosis and solid tumors.

omipalisib: inhibitor of mTOR protein
aromatic ether;
difluorobenzene;
pyridazines;
pyridines;
quinolines;
sulfonamide
anticoronaviral agent;
antineoplastic agent;
autophagy inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor;
radiosensitizing agent
emd1214063tepotinib: MET inhibitor
gsk 1838705aorganonitrogen compound;
organooxygen compound
jnj-404118131-butyl-3-chloro-4-(4-phenyl-1-piperidinyl)-(1H)-pyridone: an mGlu2 receptor modulator; structure in first source
pf 3758309PF 3758309: a PAK4 p21-activated kinase inhibitor; structure in first sourceorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
gdc 0980
azd2014vistusertib: potent and selective dual mTORC1 and mTORC2 inhibitor; structure in first source
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol(5-(2,4-bis((3S)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol: a potent, selective, and orally bioavailable ATP-competitive mammalian target of rapamycin kinase inhibitor with in vitro and in vivo antitumor activity; structure in first sourcebenzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound
antineoplastic agent;
apoptosis inducer;
mTOR inhibitor
plx4032aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide
antineoplastic agent;
B-Raf inhibitor
1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2,3-dione
azd7687AZD7687: structure in first source
gsk 1363089GSK 1363089: a multikinase inhibitor that acts on Met, RON, Axl, and VEGFR; structure in first sourcearomatic ether
arry-334543ARRY-334543: an antagonist of ATP-binding cassette subfamily G member 2 (ABCG2); structure in first source
ly2456302Aticaprant: a kappa opioid receptor antagonist; structure in first source
kin-193pyridopyrimidine
mk 2461
ici 174865ICI 174865: delta opioid receptor antagonist
dynole 34-2dynole 34-2: a dynamin inhibitor; structure in first source
bay 869766
psb603PSB603: an adenosine A2B receptor antagonist
as 703026pyridinecarboxamide
a-582941A-582941: nicotinic acetylcholine receptor (alpha7 nAChR) agonist
baricitinibazetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide
anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent
ml 137
(1R,3S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl esterazabicycloalkane
7-hydroxymitragynine7-hydroxymitragynine: an orally active opioid analgesic from the Thai medicinal herb Mitragyna speciosa; structure in first sourcealkaloid
mitragynine pseudoindoxylmitragynine pseudoindoxyl: derived from Thai medicinal plant MITRAGYNA speciosa; opioid agonist
vpc32183VPC32183: lysophosphatidic acid (LPA) receptor antagonist
7-spiroindanyloxymorphone7-spiroindanyloxymorphone: a delta opioid receptor agonist; structure given in first source
mrs2500
win 35,065-2
dabrafenib1,3-thiazoles;
aminopyrimidine;
organofluorine compound;
sulfonamide
anticoronaviral agent;
antineoplastic agent;
B-Raf inhibitor
gsk 1059865
nitd 609NITD 609: an antimalarial and coccidiostat; structure in first source
pki 587gedatolisib: inhibits both phosphatidylinositol 3-kinase and mTOR; structure in first source
azd9164AZD9164: structure in first source
voacristinevoacristine: indole alkaloid from leaves of Ervatamia coronaria; RN given for 20(S)-isomer; structure given in first source
tat-nr2b9cTat-NR2B9c: a synthetic peptide consisting of the C-terminal 9 amino acids of the NR2B subunit of the NMDA receptor fused to the cell membrane protein transduction domain of the HIV-1-Tat protein
cj 15,208
pf-044552422-methyl-N-((2'-(pyrrolidin-1-ylsulfonyl)biphenyl-4-yl)methyl)propan-1-amine: has antidepressant activity; structure in first source
2-[5-[(3,4-dichlorophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridinetriazoles
4-[[(4-ethylphenyl)sulfonylamino]methyl]-N-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]benzamidesulfonamide
n-(3-fluoro-4-((1-methyl-6-(1h-pyrazol-4-yl)-1h-indazol-5 yl)oxy)phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamidemerestinib: in phase I clinical trials (2013); structure in first source
thiopental sodiumorganochlorine compound;
piperazines;
pyrimidines
antineoplastic agent;
tyrosine kinase inhibitor
EG00229benzothiadiazole;
dicarboxylic acid monoamide;
L-arginine derivative;
secondary carboxamide;
sulfonamide;
thiophenes
angiogenesis inhibitor;
antineoplastic agent;
neuropilin receptor antagonist
ribociclibribociclib: inhibits both CDK4 and CDK6
LSM-2536piperazines
mk-80331-(3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo(4,5)cyclohepta(1,2-b)pyridin-7-yl)-N-(pyridin-2-ylmethyl)methanesulfonamide: inhibits both Ron and c-Met kinases; structure in first source
mephedronemephedrone : An aromatic ketone that is propiophenone substituted at C-4 and at C-beta with methyl and methylamino groups respectively. It is a synthetic stimulant and entactogen drug of the amphetamine and cathinone classes.

mephedrone: a beta-keto (bk) designer drug; Central Nervous System Stimulants
amphetamines;
aromatic ketone;
secondary amino compound
environmental contaminant;
xenobiotic
mk-7246
skepinone-lskepinone-L: a dibenzosuberone-type p38 MAPK inhibitor; structure in first source
pha 793887piperidinecarboxamide
evp-6124
sb 1518
abemaciclib
mk-8776
afuresertibamphetamines
gsk 1070916GSK 1070916: an antineoplastic agent with aurora B/C kinase inhibitory activitypyrazoles;
ring assembly
abt 116ABT 116: a TRPV1 antagonist with analgesic activity; structure in first source
jnj38877605quinolines
dinaciclibpyrazolopyrimidine
nms p937NMS P937: a polo-like kinase 1 inhibitor; structure in first source
gilteritinibgilteritinib : A member of the class of pyrazines that is pyrazine-2-carboxamide which is substituted by {3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}nitrilo, (oxan-4-yl)nitrilo and ethyl groups at positions 3,5 and 6, respectively. It is a potent inhibitor of FLT3 and AXL tyrosine kinase receptors (IC50 = 0.29 nM and 0.73 nM, respectively). Approved by the FDA for the treatment of acute myeloid leukemia in patients who have a FLT3 gene mutation.

gilteritinib: an FLT3/AXL protein tyrosine kinase inhibitor
aromatic amine;
monomethoxybenzene;
N-methylpiperazine;
oxanes;
piperidines;
primary carboxamide;
pyrazines;
secondary amino compound
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
alectinibaromatic ketone;
morpholines;
nitrile;
organic heterotetracyclic compound;
piperidines
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
glpg0634
wms 1410
n,n-diallyl-5-methoxytryptamineN,N-diallyl-5-methoxytryptamine: structure in first sourcetryptamines
encorafenibencorafenib: a BRAF inhibitor
bms-911543N,N-dicyclopropyl-4-((1,5-dimethyl-1H-pyrazol-3-yl)amino)-6-ethyl-1-methyl-1,6-dihydroimidazo(4,5-d)pyrrolo(2,3b)pyridine-7-carboxamide: has antineoplastic activity; structure in first source
gsk2141795GSK2141795: an Akt inhibitor with antineoplastic activity; structure in first source
azd8186
bix 02565
ml253ML253: structure in first source
raltegravir1,2,4-oxadiazole;
dicarboxylic acid amide;
hydroxypyrimidine;
monofluorobenzenes;
pyrimidone;
secondary carboxamide
antiviral drug;
HIV-1 integrase inhibitor
tetracyclinetetracycline : A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria.

Tetracycline: A naphthacene antibiotic that inhibits AMINO ACYL TRNA binding during protein synthesis.
dicumarolDicumarol: An oral anticoagulant that interferes with the metabolism of vitamin K. It is also used in biochemical experiments as an inhibitor of reductases.hydroxycoumarinanticoagulant;
EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor;
Hsp90 inhibitor;
vitamin K antagonist
robustic acidrobustic acid: structure in first sourceisoflavonoid;
organic hydroxy compound
rk 682
4-hydroxy-3-(1-piperidinylmethyl)-1-benzopyran-2-onehydroxycoumarin
ml289ML289: metabotropic glutamate receptor 3 probe
byl719proline derivative
cep-32496agerafenib: inhibitor of RAF family kinases; structure in first source
rociletinibrociletinib: inhibits epidermal growth factor receptor tyrosine kinase activity; structure in first source
entecavirbenzamides;
N-acylpiperidine
ceritinibceritinib : A member of the class of aminopyrimidines that is 2,6-diamino-5-chloropyrimidine in which the amino groups at positions 2 and 6 are respectively carrying 2-methoxy-4-(piperidin-4-yl)-5-methylphenyl and 2-(isopropylsulfonyl)phenyl substituents. Used for the treatment of ALK-positive metastatic non-small cell lung cancer.

ceritinib: an anaplastic lymphoma kinase inhibitor
aminopyrimidine;
aromatic ether;
organochlorine compound;
piperidines;
secondary amino compound;
sulfone
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
vu0364572VU0364572: muscarinic agonist; structure in first source
azd1208
vx-509
a-1155463A-1155463: a Bcl-X(L) inhibitor; structure in first source
trv130
debio 1347CH5183284: a fibroblast growth factor receptor antagonist; structure in first source
pf-543PF-543: Sphingosine Kinase 1 Selective Inhibitor; structure in first sourcesulfonamide
volitinib
acp-196acalabrutinib : A member of the class of imidazopyrazines that is imidazo[1,5-a]pyrazine substituted by 4-(pyridin-2-ylcarbamoyl)phenyl, (2S)-1-(but-2-ynoyl)pyrrolidin-2-yl, and amino groups at positions 1, 3 and 8, respectively. It is an irreversible second-generation Bruton's tyrosine kinase (BTK) inhibitor that is approved by the FDA for the treatment of adult patients with mantle cell lymphoma (MCL) who have received at least one prior therapy.

acalabrutinib: inhibits Bruton’s tyrosine kinase; has antineoplastic activity
aromatic amine;
benzamides;
imidazopyrazine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
ynone
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
3-(2-((cyclobutylmethyl)(phenethyl)amino)ethyl)phenol3-(2-((cyclobutylmethyl)(phenethyl)amino)ethyl)phenol: structure in first source
osimertinibosimertinib : A member of the class of aminopyrimidines that is 4-(1-methylindol-3-yl)pyrimidin-2-amine in which one of the amino hydrogens is replaced by a 2-methoxy-4-[2-(dimethylamino)ethyl](methyl)amino-5-acrylamidophenyl group. Used (as the mesylate salt) for treatment of EGFR T790M mutation positive non-small cell lung cancer.

osimertinib: an EGFR tyrosine kinase inhibitor
acrylamides;
aminopyrimidine;
biaryl;
indoles;
monomethoxybenzene;
secondary amino compound;
secondary carboxamide;
substituted aniline;
tertiary amino compound
antineoplastic agent;
epidermal growth factor receptor antagonist
tg6-10-1TG6-10-1: brain-permeant prostaglandin E receptor 2 antagonist; structure in first source
22-thiocyanatosalvinorin a22-thiocyanatosalvinorin A: structure in first source
vu0467154
azd3759
imidacloprid(E)-imidacloprid : The E-isomer of imidacloprid.imidacloprid;
imidazolidines;
monochloropyridine
environmental contaminant;
genotoxin;
neonicotinoid insectide;
nicotinic acetylcholine receptor agonist;
xenobiotic
AZ3451benzimidazoles;
benzodioxoles;
nitrile;
organobromine compound;
secondary carboxamide
anti-inflammatory agent;
autophagy inducer;
PAR2 negative allosteric modulator
at 9283
otssp167OTS167: inhibitor of maternal embryonic leucine zipper kinase (MELK) with potential antineoplastic activity
chir 258
osi 027OSI 027: inhibits both mTORC1 and mTORC2; structure in first source
clozapineclozapine : A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia.

Clozapine: A tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a major adverse effect associated with administration of this agent.
benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound
adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic
sildenafilsildenafil : A pyrazolo[4,3-d]pyrimidin-7-one having a methyl substituent at the 1-position, a propyl substituent at the 3-position and a 2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl group at the 5-position.piperazines;
pyrazolopyrimidine;
sulfonamide
EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
olanzapineolanzapine : A benzodiazepine that is 10H-thieno[2,3-b][1,5]benzodiazepine substituted by a methyl group at position 2 and a 4-methylpiperazin-1-yl group at position 4.

Olanzapine: A benzodiazepine derivative that binds SEROTONIN RECEPTORS; MUSCARINIC RECEPTORS; HISTAMINE H1 RECEPTORS; ADRENERGIC ALPHA-1 RECEPTORS; and DOPAMINE RECEPTORS. It is an antipsychotic agent used in the treatment of SCHIZOPHRENIA; BIPOLAR DISORDER; and MAJOR DEPRESSIVE DISORDER; it may also reduce nausea and vomiting in patients undergoing chemotherapy.
benzodiazepine;
N-arylpiperazine;
N-methylpiperazine
antiemetic;
dopaminergic antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
serotonin uptake inhibitor
vardenafilvardenafil : The sulfonamide resulting from formal condensation of the sulfo group of 4-ethoxy-3-(5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one-2-yl)benzenesulfonic acid and the secondary amino group of 4-ethylpiperazine.imidazotriazine;
N-alkylpiperazine;
N-sulfonylpiperazine
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
kf38789KF38789: a non-carbohydrate low MW cpd that Inhibits P-selectin specific cell adhesion; structure in first source
allopurinolallopurinol : A bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring.

Allopurinol: A XANTHINE OXIDASE inhibitor that decreases URIC ACID production. It also acts as an antimetabolite on some simpler organisms.
nucleobase analogue;
organic heterobicyclic compound
antimetabolite;
EC 1.17.3.2 (xanthine oxidase) inhibitor;
gout suppressant;
radical scavenger
azaguanine8-azaguanine : A triazolopyrimidine that consists of 3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidine bearing amino and oxo substituents at positions 5 and 7 respectively.

Azaguanine: One of the early purine analogs showing antineoplastic activity. It functions as an antimetabolite and is easily incorporated into ribonucleic acids.
nucleobase analogue;
triazolopyrimidines
antimetabolite;
antineoplastic agent;
EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor
tegaserodtegaserod: a nonbenzamide 5-hydroxytryptamine(4) agonist; used in treatment of irritable bowel syndrome; marketing suspended 2007 in US due to higher incidence of MI, stroke, and unstable angina; structure given in first sourcecarboxamidine;
guanidines;
hydrazines;
indoles
gastrointestinal drug;
serotonergic agonist
norclozapineN-desmethylclozapine : A dibenzodoazepine substituted with chloro and piperazino groups which is a major metabolite of clozapine; a potent and selective 5-HT2C serotonin receptor antagonist.

norclozapine: structure given in first source
dibenzodiazepine;
organochlorine compound;
piperazines
delta-opioid receptor agonist;
metabolite;
serotonergic antagonist
nintedanibnintedanib : A member of the class of oxindoles that is a kinase inhibitor used (in the form of its ethylsulfonate salt) for the treatment of idiopathic pulmonary fibrosis and cancer.
psb 11
methylaplysinopsinmethylaplysinopsin: isolated from Dictyoceratid sponge Aplysinopsis reticulata; affects serotogenic neurotransmission; structure given in first source
amg531
aplysinopsinaplysinopsin: antineoplastic tryptophan deriv from Verongia spengetii (marine sponge); structure
n-benzo(1,3)dioxol-5-yl-2-(5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1h-purin-8-yl)-1-methyl-1h-pyrazol-3-yloxy)-acetamide
3-(4-hydroxy-2-methoxybenzylidene)anabaseine
luf 58342-amino-4-(4-hydroxyphenyl)-6-(1H-imidazol-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile: structure in first source
bay 80-6946copanlisib : An imidazoquinazoline that is 2,3-dihydroimidazo[1,2-c]quinazoline substituted by (2-aminopyrimidine-5-carbonyl)amino, methoxy, and 3-(morpholin-4-yl)propoxy groups at positions 5, 7 and 8, respectively. It is a intravenous pan-class I PI3K inhibitor used for the treatment of relapsed follicular lymphoma in patients who have received at least 2 prior systemic therapies.

copanlisib: an antineoplastic agent with PI3K inhibitory activity; structure in first source
pp242torkinib : A member of the class of pyrazolopyrimidines that is 1H-pyrazolo[3,4-d]pyrimidine substituted by isopropyl, 5-hydroxyindol-2-yl and amino groups at positions 1, 3 and 4 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties.aromatic amine;
biaryl;
hydroxyindoles;
phenols;
primary amino compound;
pyrazolopyrimidine
antineoplastic agent;
mTOR inhibitor