Page last updated: 2024-10-24

regulation of calcium ion transport

Definition

Target type: biologicalprocess

Any process that modulates the frequency, rate or extent of the directed movement of calcium ions into, out of or within a cell, or between cells, by means of some agent such as a transporter or pore. [GOC:ai]

Calcium ion transport is a fundamental biological process that plays a crucial role in a wide range of cellular functions, including muscle contraction, neurotransmission, fertilization, and cell signaling. The regulation of calcium ion transport involves a complex interplay of proteins, channels, pumps, and signaling pathways. Here is a detailed description of this process:

**1. Calcium Channels:**
Calcium channels are transmembrane proteins that allow calcium ions to flow across cell membranes. These channels are highly selective for calcium ions and are regulated by various factors, including voltage, ligand binding, and phosphorylation. There are several types of calcium channels, including:
- Voltage-gated calcium channels (VGCCs): These channels are activated by changes in membrane potential.
- Ligand-gated calcium channels (LGCCs): These channels are activated by the binding of specific ligands, such as neurotransmitters.
- Store-operated calcium channels (SOCs): These channels are activated by the depletion of calcium from intracellular stores.

**2. Calcium Pumps:**
Calcium pumps are ATP-dependent transporters that actively move calcium ions against their concentration gradient from the cytosol to the extracellular space or into intracellular stores. These pumps maintain low cytosolic calcium concentrations and ensure that calcium gradients are established. The most important calcium pump is the plasma membrane calcium ATPase (PMCA), which pumps calcium out of the cell. Another important pump is the sarcoplasmic/endoplasmic reticulum calcium ATPase (SERCA), which pumps calcium into the endoplasmic reticulum (ER).

**3. Calcium-Binding Proteins:**
Calcium-binding proteins play a crucial role in regulating calcium signaling by buffering calcium ions and mediating downstream signaling events. These proteins include:
- Calmodulin (CaM): This protein is a ubiquitous intracellular calcium sensor that binds calcium ions and activates various downstream targets, including kinases, phosphatases, and transcription factors.
- Troponin C (TnC): This protein is found in muscle cells and binds calcium ions, leading to muscle contraction.

**4. Intracellular Calcium Stores:**
The ER is the primary intracellular calcium store in most cells. Calcium ions are actively pumped into the ER by SERCA pumps, creating a high concentration of calcium within this organelle. The ER plays a crucial role in calcium-mediated signaling by releasing calcium ions into the cytosol upon stimulation.

**5. Calcium Signaling Pathways:**
Calcium signaling pathways are complex networks of proteins that regulate calcium ion transport and downstream cellular responses. These pathways involve the activation of various signaling molecules, including kinases, phosphatases, and transcription factors. Key examples of calcium signaling pathways include:
- The phospholipase C (PLC) pathway: This pathway is activated by various stimuli, including hormones and neurotransmitters. PLC activates the production of inositol trisphosphate (IP3), which binds to IP3 receptors on the ER membrane, leading to calcium release.
- The Ryanodine receptor (RyR) pathway: RyRs are calcium channels located on the sarcoplasmic reticulum (SR) membrane of muscle cells. They are activated by calcium ions, leading to calcium-induced calcium release (CICR) and muscle contraction.

**6. Regulation of Calcium Ion Transport:**
The regulation of calcium ion transport is crucial for maintaining cellular homeostasis and coordinating cellular responses to stimuli. This regulation is achieved through a variety of mechanisms, including:
- Voltage-dependent gating of calcium channels: This mechanism allows calcium influx to occur only when the membrane potential reaches a certain threshold.
- Ligand-dependent activation of calcium channels: This mechanism allows calcium influx to be triggered by specific stimuli, such as neurotransmitters or hormones.
- Calcium-dependent inactivation of calcium channels: This mechanism prevents excessive calcium influx and ensures that calcium signals are transient.
- Phosphorylation and dephosphorylation of calcium channel proteins: This mechanism can modulate the activity of calcium channels and regulate calcium influx.
- Binding of calcium-binding proteins: These proteins buffer calcium ions and modulate the activity of downstream signaling molecules.
- Depletion of intracellular calcium stores: This mechanism can trigger the activation of store-operated calcium channels, leading to calcium influx from the extracellular space.

**7. Disorders of Calcium Ion Transport:**
Disorders of calcium ion transport can lead to a wide range of human diseases, including:
- **Muscle disorders:** Mutations in genes encoding calcium channel proteins can cause muscle weakness and fatigue.
- **Neurological disorders:** Disruptions in calcium signaling can lead to neurological disorders, such as epilepsy and Parkinson's disease.
- **Cardiovascular disorders:** Irregularities in calcium ion transport can contribute to heart rhythm disorders and heart failure.
- **Bone disorders:** Abnormal calcium homeostasis can lead to bone diseases, such as osteoporosis.

In summary, the regulation of calcium ion transport is a complex process that involves a variety of proteins, channels, pumps, and signaling pathways. This process is essential for a wide range of cellular functions, and its dysfunction can lead to various human diseases.'
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Proteins (14)

ProteinDefinitionTaxonomy
Extracellular calcium-sensing receptorAn extracellular calcium-sensing receptor that is encoded in the genome of human. [PRO:DNx, UniProtKB:P41180]Homo sapiens (human)
Calcium release-activated calcium channel protein 1A calcium release-activated calcium channel protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96D31]Homo sapiens (human)
Stromal interaction molecule 1A stromal interaction molecule 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13586]Homo sapiens (human)
Calcium/calmodulin-dependent protein kinase type II subunit gammaA calcium/calmodulin-dependent protein kinase type II subunit gamma that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q13555]Homo sapiens (human)
Calcium/calmodulin-dependent protein kinase type II subunit betaA calcium/calmodulin-dependent protein kinase type II subunit beta that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q13554]Homo sapiens (human)
C-X-C chemokine receptor type 4A C-X-C chemokine receptor type 4 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P61073]Homo sapiens (human)
Voltage-dependent calcium channel subunit alpha-2/delta-1A voltage-dependent calcium channel subunit alpha-2/delta-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P54289]Homo sapiens (human)
Regulator of G-protein signaling 4A regulator of G-protein signaling 4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P49798]Homo sapiens (human)
Delta-type opioid receptorA delta-type opioid receptor that is encoded in the genome of human. [PRO:WCB, UniProtKB:P41143]Homo sapiens (human)
Adenosine receptor A2aAn adenosine receptor A2a that is encoded in the genome of human. [PRO:WCB, UniProtKB:P29274]Homo sapiens (human)
Apoptosis regulator Bcl-2An apoptosis regulator Bcl-2 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P10415]Homo sapiens (human)
Guanine nucleotide-binding protein G(i) subunit alpha-2A guanine nucleotide-binding protein G(i) subunit alpha-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P04899]Homo sapiens (human)
T-cell surface glycoprotein CD4A CD4 molecule that is encoded in the genome of human. [PRO:DNx, UniProtKB:P01730]Homo sapiens (human)
Glutamate receptor ionotropic, NMDA 3BA glutamate receptor ionotropic, NMDA 3B that is encoded in the genome of human. [PRO:DNx, UniProtKB:O60391]Homo sapiens (human)

Compounds (679)

CompoundDefinitionClassesRoles
9-ethyladenine
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
catechinhydroxyflavan
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
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
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
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
6,7-dichloroquinoxaline-2,3-dionequinoxaline derivative
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
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
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
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
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
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
ym 58483
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
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
chlorcyclizinechlorcyclizine: was heading 1964-94 (Prov 1964-73); CHLOROCYCLIZINE & HISTACHLORAZINE were see CHLORCYCLIZINE 1977-94; use PIPERAZINES to search CHLORCYCLIZINE 1966-94; histamine H1-blocker used both orally and topically in allergies and also for the prevention of motion sicknessdiarylmethane
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
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
clotrimazoleconazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes
antiinfective agent;
environmental contaminant;
xenobiotic
denbufyllinedenbufylline: structure given in first sourceoxopurine
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
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
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
fendilineFendiline: Coronary vasodilator; inhibits calcium function in muscle cells in excitation-contraction coupling; proposed as antiarrhythmic and antianginal agents.diarylmethane
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
fluphenazineN-alkylpiperazine;
organofluorine compound;
phenothiazines
anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
fluspirileneFluspirilene: A long-acting injectable antipsychotic agent used for chronic schizophrenia.diarylmethane
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.
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
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
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
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazolineWHI P131: a quinazoline derivative, inhibitor of glioblastoma cell adhesion and migration
staurosporine aglyconestaurosporine aglycone: metabolite from culture broth of Nocardiopsis sp.; a neurotrophin antag; inhibits BDNF TrkB receptor
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
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
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
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
4-(dimethylamino)-n-(7-(hydroxyamino)-7-oxoheptyl)benzamide4-(dimethylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)benzamide: structure in first source

4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide : A benzamide resulting from the formal condensation of the carboxy group of 4-(dimethylamino)benzoic acid with the amino group of 7-amino-N-hydroxyheptanamide. It is a potent inhibitor of histone deacetylases and induces cell cycle arrest and apoptosis in several human cancer cell lines.
benzamides;
hydroxamic acid;
secondary carboxamide;
tertiary amino compound
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
memantineadamantanes;
primary aliphatic amine
antidepressant;
antiparkinson drug;
dopaminergic agent;
neuroprotective agent;
NMDA receptor antagonist
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
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
nocodazolearomatic ketone;
benzimidazoles;
carbamate ester;
thiophenes
antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator
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
minaprineminaprine: Agr 1240 refers to di-HCl; short-acting type A MAO inhibitor (MAOI) of mild potency; structuremorpholines;
pyridazines;
secondary amine
antidepressant;
antiparkinson drug;
cholinergic drug;
dopamine uptake inhibitor;
serotonin uptake 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
nimodipinenimodipine : A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a (2-methoxyethoxy)carbonyl group at position 3, a m-nitrophenyl group at position 4, and an isopropoxycarbonyl group at position 5. An L-type calcium channel blocker, it acts particularly on cerebral circulation, and is used both orally and intravenously for the prevention and treatment of subarachnoid hemorrhage from ruptured intracranial aneurysm.

Nimodipine: A calcium channel blockader with preferential cerebrovascular activity. It has marked cerebrovascular dilating effects and lowers blood pressure.
2-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester
antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
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
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
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
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
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
pyroxamidearomatic amide
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
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
imatinibaromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
vorinostatvorinostat : A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL).

Vorinostat: A hydroxamic acid and anilide derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used in the treatment of CUTANEOUS T-CELL LYMPHOMA and SEZARY SYNDROME.
dicarboxylic acid diamide;
hydroxamic acid
antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor
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
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
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
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine: adenosine receptor antagonist
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
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
alizarindihydroxyanthraquinonechromophore;
dye;
plant metabolite
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
1-aminoanthraquinone
benzohydroldiphenylmethanol : A secondary alcohol that is diphenylmethane which carries a hydroxy group at position 1.benzyl alcohols;
secondary alcohol
bacterial xenobiotic metabolite;
human urinary metabolite;
human xenobiotic metabolite;
rat metabolite
6-phenyl-1,3,5-triazine-2,4-diamine6-phenyl-1,3,5-triazine-2,4-diamine: structure in first source
3-hydroxydiphenylaminesubstituted aniline
2-chloroadenosine5-chloroformycin A: structure given in first sourcepurine nucleoside
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
indopanalpha-methyltryptamine : A tryptamine derivative having a methyl substituent at the alpha-position.

indopan: RN given refers to parent cpd without isomeric designation
tryptamines
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
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
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
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
diphenylborinic aciddiphenylborinic acid: structure given in first source
cyclazocineCyclazocine: An analgesic with mixed narcotic agonist-antagonist properties.
9-benzyladenine
3-deazaadenosine3-deazaadenosine: RN given refers to parent cpd.
zalcitabinezalcitabine : A pyrimidine 2',3'-dideoxyribonucleoside compound having cytosine as the nucleobase.

Zalcitabine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication at low concentrations, acting as a chain-terminator of viral DNA by binding to reverse transcriptase. Its principal toxic side effect is axonal degeneration resulting in peripheral neuropathy.
pyrimidine 2',3'-dideoxyribonucleosideantimetabolite;
antiviral drug;
HIV-1 reverse transcriptase inhibitor
2,3-dihydroxyquinoxaline2,3-dihydroxyquinoxaline: fluorescent oxalic acid deriv.
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
1,4-diaminoanthraquinone
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
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
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
bezafibratearomatic ether;
monocarboxylic acid;
monocarboxylic acid amide;
monochlorobenzenes
antilipemic drug;
environmental contaminant;
geroprotector;
xenobiotic
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
triciribine phosphate
staurosporineindolocarbazole alkaloid;
organic heterooctacyclic compound
apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector
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
spiradolinespiradoline: RN given refers to (5alpha,7alpha,8beta)-(+-)-isomer; structure given in first source
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
mibefradilMibefradil: A benzimidazoyl-substituted tetraline that selectively binds and inhibits CALCIUM CHANNELS, T-TYPE.tetralinsT-type calcium channel blocker
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
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
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
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
plerixaforplerixafor : An azamacrocycle consisting of two cyclam rings connected by a 1,4-phenylenebis(methylene) linker. It is a CXCR4 chemokine receptor antagonist and a hematopoietic stem cell mobilizer. It is used in combination with grulocyte-colony stimulating factor (G-CSF) to mobilize hematopoietic stem cells to the perpheral blood for collection and subsequent autologous transplantation in patients with non-Hodgkin's lymphoma and multiple myeloma.

plerixafor: a bicyclam derivate, highly potent & selective inhibitor of HIV-1 & HIV-2
azacycloalkane;
azamacrocycle;
benzenes;
crown amine;
secondary amino compound;
tertiary amino compound
anti-HIV agent;
antineoplastic agent;
C-X-C chemokine receptor type 4 antagonist;
immunological adjuvant
epigallocatechin gallate(-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin.

epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis)
flavans;
gallate ester;
polyphenol
antineoplastic agent;
antioxidant;
apoptosis inducer;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent;
plant metabolite
isoguanosinepurine nucleoside
metrifudil
benzylanilinebenzylaniline: major metabolite of antazoline; RN given refers to parent cpd
5,6,7,8-tetrahydro-1-naphthol5,6,7,8-tetrahydro-1-naphthol : 1-naphthol hydrogenated at C-5, -6, -7 and -8.tetralins
budipinebudipine: RN given refers to parent cpd; structure in Negwer, 5th ed, #6541diarylmethane
9-methyladenine9-methyladenine : Adenine substituted with a methyl group at position N-9.methyladeninemetabolite
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
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
epicatechin(-)-epicatechin : A catechin with (2R,3R)-configuration.catechin;
polyphenol
antioxidant
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
chelerythrine chloride
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
9-(2,3-dihydroxypropyl)adenine, (s)-isomer
(-)-catechin(-)-catechin : The (-)-enantiomer of catechin.catechinmetabolite
terephthalamidebenzenedicarboxamide
rosiglitazoneaminopyridine;
thiazolidinediones
EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor;
ferroptosis inhibitor;
insulin-sensitizing drug
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
6,7-dichloroquinoxaline-2,3-dione
8-bromoadenine8-bromoadenine: affects DNA repair
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
n(6)-benzyladenosineN(6)-benzyladenosine: RN given refers to parent cpd
5-methylcytidinemethylcytidine
phenylisopropyladenosinearomatic amine;
benzenes;
hydrocarbyladenosine;
purine nucleoside;
secondary amino compound
adenosine A1 receptor agonist;
neuroprotective agent
5'-n-methylcarboxamideadenosine5'-N-methylcarboxamideadenosine: RN given refers to (beta-D)-isomer
n(6)-phenyladenosinepurine nucleoside
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
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
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
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
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
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
tifluadomtifluadom: acts on opiate receptors; structure given in first sourcebenzodiazepine
bw 373u86BW 373U86: a nonpeptidic delta opioid receptor agonistdiarylmethane
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
enkephalin-leu, arg(6)-
bw a1433uBW A1433U: adenosine A3 receptor antagonist; attenuates hypoxia-induced AH interval prolongation; derivative of 1,3-dipropyl-8-phenylxanthine
tyrosyl-arginyl-phenylalanyl-lysinamidetyrosyl-arginyl-phenylalanyl-lysinamide: dermorphin analog
gefitinibaromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
epidermal growth factor receptor antagonist
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
met-enkephalinamide
2-chloro-n(6)cyclopentyladenosine2-chloro-N(6)cyclopentyladenosine: highly selective agonist at A1 adenosine receptors
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
4-methoxymethylfentanyl4-methoxymethylfentanyl: 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
lestaurtinibindolocarbazole
reboxetineReboxetine: A morpholine derivative that is a selective and potent noradrenaline reuptake inhibitor; it is used in the treatment of DEPRESSIVE DISORDER.aromatic ether
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-propylxanthine1-propylxanthine: structure given in first source
salvinorin asalvinorin A: from the herb, Salvia divinorumorganic heterotricyclic compound;
organooxygen compound
metabolite;
oneirogen
1,3-dipropyl-8-phenylxanthine1,3-dipropyl-8-phenylxanthine: selective antagonist at adenosine A1 receptorsoxopurine
8-(dicyclopropylmethyl)-1,3-dipropylxanthine8-(dicyclopropylmethyl)-1,3-dipropylxanthine: selective A1 adenosine receptor antagonist; structure given in first source
kfm 19KFM 19: a potential cognitive enhancer and a selective adenosine A1 receptor antagonist
3,5-bis(trifluoromethyl)benzyl n-acetyltryptophan3,5-bis(trifluoromethyl)benzyl N-acetyltryptophan: structure given in first source; substance P and neurokinin receptor antagonist
ly 99335, (3r-cis)-isomer
ly 106737LY 106737: RN given refers to (cis(+-)-isomer); structure given in first source
methaneboronic acid
2-(1-octynyl)adenosineYT 146: an adenosine receptor agonist; structure given in first source
perifosineammonium betaine;
phospholipid
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
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-isoamyl-3-isobutylxanthine
5-hydroxy-3',4',6,7-tetramethoxyflavone5-hydroxy-3',4',6,7-tetramethoxyflavone: isolated from Artemisia argyi
ruboxistaurinruboxistaurin: inhibits protein kinase C beta; structure in first source
besonprodilbesonprodil: CI-1041 is also known as PD19680; NMDA receptor antagonist for treatment of Parkinson's disease; structure in first source
canertinibmonochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase inhibitor
cinacalcet hydrochloridecinacalcet hydrochloride : A hydrochloride derived from equimolar amounts of cinacalcet and hydrogen chloride.

Cinacalcet Hydrochloride: A naphthalene derivative and CALCIMIMETIC AGENT that increases the sensitivity of PARATHYROID GLAND calcium-sensing receptors to serum calcium. This action reduces parathyroid hormone secretion and decreases serum calcium in the treatment of PARATHYROID DISEASES.
hydrochloridecalcimimetic;
P450 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
tecadenosontecadenoson: an A1 adenosine receptor agonist
nps-568N-(2-chlorophenylpropyl)-1-(3-methoxyphenyl)ethylamine: NPS-568 is the ((R), HCl salt)-isomer; calcimimetic compound and calcium-sensing receptor agonist
nps-568
enkephalin, pen(2,5)-4-chloro-phe(4)-enkephalin, Pen(2,5)-4-chloro-Phe(4)-: delta opioid receptor
1-deazaadenosine1-deazaadenosine: inhibits nucleic acid & protein synthesis; structure given in first source
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
salvigeninsalvigenin : A trimethoxyflavone that is scutellarein in which the hydroxy groups at positions 4', 6, and 7 are replaced by methoxy groups.

salvigenin: structure
monohydroxyflavone;
trimethoxyflavone
antilipemic drug;
antineoplastic agent;
apoptosis inhibitor;
autophagy inducer;
hypoglycemic agent;
immunomodulator;
neuroprotective agent;
plant metabolite
1,3-dipropyl-7-methylxanthine1,3-dipropyl-7-methylxanthine: structure given in first source
bw a522BW A522: blocks adenosine A3 receptor-mediated hypotensive responses in rats
2-hexynyladenosine-5'-n-ethylcarboxamide2-hexynyladenosine-5'-N-ethylcarboxamide: adenosine receptor agonist
4'-hydroxyflavanone4'-hydroxyflavanone: structure in first source

4'-hydroxyflavanones : Any hydroxyflavanone having a hydroxy substituent located at position 4'.
4'-hydroxyflavanones;
monohydroxyflavanone
1,3-dipropylxanthine1,3-dipropylxanthine: has high affinity for adenosine receptors; structure given in first source
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
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
asimadolineasimadoline: structure in first source
dizocilpinesecondary amino compound;
tetracyclic antidepressant
anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist
nantenine, (+-)-isomer
(+)-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
l 7340055-chloro-3-phenylthioindole-2-carboxamide: structure given in first source; an inhibitor of HIV-1 reverse transcriptase
cns 5161CNS 5161: structure in first source
lapatinibfurans;
organochlorine compound;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase inhibitor
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
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
regadenosonpurine nucleoside
cp 101,606traxoprodil mesylate: a selective NMDA antagonist; structure given in first source
8-cyclohexylcaffeine
blastmycinblastmycin: structureamidobenzoic acid
2,4-diaminopteridine2,4-diaminopteridine: structure in first source
mrs 12209-chloro-2-(2-furyl)-5-phenylacetylamino(1,2,4)triazolo(1,5-c)quinazoline: structure in first sourcequinazolines
trapoxin atrapoxin B: from Helicoma ambiens; structure given in first source
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
taxifolin(+)-taxifolin : A taxifolin that has (2R,3R)-configuration.taxifolinmetabolite
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
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
enkephalin, methioninepentapeptide;
peptide zwitterion
analgesic;
antineoplastic agent;
delta-opioid receptor agonist;
human metabolite;
mu-opioid receptor agonist
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
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
pd 173955PD 173955: inhibits src family-selective tyrosine kinase; structure in first sourcearyl sulfide;
dichlorobenzene;
methyl sulfide;
pyridopyrimidine
tyrosine kinase inhibitor
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
roflumilastaromatic ether;
benzamides;
chloropyridine;
cyclopropanes;
organofluorine compound
anti-asthmatic drug;
phosphodiesterase IV inhibitor
h 89(E)-N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide in which the double bond adopts a trans-configuration.

N-(2-(4-bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide: structure given in first source

N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A member of the class of isoquinolines that is the sulfonamide obtained by formal condensation of the sulfo group of isoquinoline-5-sulfonic acid with the primary amino group of N(1)-[3-(4-bromophenyl)prop-2-en-1-yl]ethane-1,2-diamine. It is a protein kinase A inhibitor.
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
apogossypolapogossypol: structure in first source
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
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
krh 1636KRH 1636: structure in first source
amd 8664
2'-c-methyladenosine2'-C-methyladenosine: antiviral
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
tyrosyl-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-phenylalanyl-phenylalaninetyrosyl-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-phenylalanyl-phenylalanine: a delta opioid antagonist
s 1033(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide
anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
n(6)-cyclopentyladenosine
4-methyl-N-[1-[2-(1-pyrrolidinyl)ethyl]-2-benzimidazolyl]benzamidebenzimidazoles
umi-77UMI-77: an Mcl-1 inhibitor; structure in first source
4-(4-ethoxycarbonylanilino)-2-quinazolinecarboxylic acid ethyl esterquinazolines
xl147aromatic amine;
benzothiadiazole;
quinoxaline derivative;
sulfonamide
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
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
ccg 500144-(4-fluorobenzyl)-2-p-tolyl-1,2,4-thiadiazolidine-3,5-dione: a regulator of G protein signaling (RGS) inhibitor; structure in first source
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
5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamidepurine nucleoside
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
mitragyninemonoterpenoid indole alkaloid
7-chloro-thiokynurenate7-chlorothiokynurenic acid: glycine site antagonist of NMDA receptor
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
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
paynantheinepaynantheine: structure in first source
metazocine
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
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
7-epi-hydroxystaurosporine
zd 6474CH 331: structure in first sourcearomatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine
antineoplastic agent;
tyrosine kinase inhibitor
dynorphin (1-17)
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
4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]benzamidesulfonamide
mrs 15232,3-diethyl-4,5-dipropyl-6-phenylpyridine-3-thiocarboxylate-5-carboxylate: adenosine A3 receptor antagonist
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
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
np 1188091-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one: an N-type calcium channel blocker; structure in first source
imd 0354N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxybenzamide: a cardioprotective agent that inhibits IkappaB kinase beta (IKKbeta); structure in first sourcebenzamides
cyclo(d-tyrosyl-arginyl-arginyl-3-(2-naphthyl)alanyl-glycyl)oligopeptide
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
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
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
amentoflavonebiflavonoid;
hydroxyflavone;
ring assembly
angiogenesis inhibitor;
antiviral agent;
cathepsin B inhibitor;
P450 inhibitor;
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
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
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
flunarizine hydrochloridediarylmethane
codeinemorphinane alkaloid;
organic heteropentacyclic compound
antitussive;
drug allergen;
environmental contaminant;
opioid analgesic;
opioid receptor agonist;
prodrug;
xenobiotic
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
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
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
mre 3008-f20MRE 3008-F20: InChIKey: CJRNHKSLHHWUAB-UHFFFAOYSA-N
2-methylthio-atp2-methylthio-ATP: purinergic receptors agonist; relaxes mammalian gut preparations; structure given in first source
7-benzylidenenaltrexone7-benzylidenenaltrexone: structure given in first source; a highly selective delta1-opioid receptor antagonistphenanthrenes
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
j 113397J 113397: an opioid receptor-like 1 (ORL1), orphanin FQ, and nociceptin receptor antagonist; structure in first source
l 7458703-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-1H-pyrrolo(2,3-b)pyridine: selective for D(4) receptors; structure in first sourcepiperazines
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
psb 1115oxopurine
n-(1-methyl-2-phenylethyl)adenosine, (s)-isomer
kn 62KN 62: inhibitor of Ca/calmodulin-dependent protein kinase IIpiperazines
5,7-dihydroxy-4',6-dimethoxyflavone5,7-dihydroxy-4',6-dimethoxyflavone: from Cirsium japonicum D. C.

pectolinarigenin : A dimethoxyflavone that is the 6,4'-dimethyl ether derivative of scutellarein.
dihydroxyflavone;
dimethoxyflavone
plant metabolite
arcyriaflavin aarcyriaflavin A: from marine ascidian, Eudistoma sp.; structure given in first sourceindolocarbazole
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
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
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
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
n-methylnaltrindoleN-methylnaltrindole: structure given in first source
isoalloxazineisoalloxazine: structurebenzo[g]pteridine-2,4-dione
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
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
6 beta-hydroxynaltrexonephenanthrenes
enkephalinamide-leu, ala(2)-enkephalinamide-Leu, Ala(2)-: RN given refers to (L-leucinamide)-isomer
14-methoxymetopon14-methoxymetopon: structure given in first source; has high affinity for the naloxone binding sites in rat brain
pregabalinpregabalin : A gamma-amino acid that is gamma-aminobutyric acid (GABA) carrying an isobutyl substitutent at the beta-position (the S-enantiomer). Binds with high affinity to the alpha2-delta site (an auxiliary subunit of voltage-gated calcium channels) in central nervous system tissues.

Pregabalin: A gamma-aminobutyric acid (GABA) derivative that functions as a CALCIUM CHANNEL BLOCKER and is used as an ANTICONVULSANT as well as an ANTI-ANXIETY AGENT. It is also used as an ANALGESIC in the treatment of NEUROPATHIC PAIN and FIBROMYALGIA.
gamma-amino acidanticonvulsant;
calcium channel blocker
biphalinbiphalin: enkephalin dimer; two fragments of Ala(2)-enkephalin are connected by a diamine bridge to form above cpd; structure given in first source
alvimopan anhydrousalvimopan: mu opioid receptor antagonist; intended to treat constipation in patients taking opiates for painpeptide
sinococulinesinococuline: isolated from Stephania sutchuenensis; RN given for (6beta,7beta,9alpha,13alpha)-isomer; structure in first source
tyrosyl alanyl-glycyl-phenylalaninamidetyrosyl alanyl-glycyl-phenylalaninamide: tetrapeptide opiate
oxymorphindoleoxymorphindole: no other info avail 9/91
vx680N-arylpiperazine
naltrindolenaltrindole: delta opioid receptor antagonistisoquinolines
cyprodimecyprodime: RN & structure given in first source; RN given refers to parent cpd
(-)-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
cyc 1164-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine: an aurora kinase inhibitor; structure in first source
ciproxifanaromatic ketone
7-benzylidenenaltrexone
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
everolimuscyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol
anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
trk 820TRK 820: structure in first sourcephenanthrenes
ixabepilone1,3-thiazoles;
beta-hydroxy ketone;
epoxide;
lactam;
macrocycle
antineoplastic agent;
microtubule-destabilising agent
ekb 569EKB 569: an EGF receptor kinase inhibitoraminoquinoline;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile
protein kinase inhibitor
kf 17837
axitinibaryl sulfide;
benzamides;
indazoles;
pyridines
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
gw 1929GW 1929: activates peroxisome proliferator-activated receptor-gamma; structure in first sourcebenzophenones
clocinnamoxclocinnamox: structure given in first source; an opioid mu receptor agonist
gr 103545
mrs 1754oxopurine
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 334867-a1-(2-methylbenzoxazol-6-yl)-3-(1,5)naphthyridin-4-yl urea: selective OX1 receptor antagonistnaphthyridine derivative
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.
cv 18082-phenylaminoadenosine: has coronary & cardiohemodynamic effectspurine nucleoside
eaa-090EAA-090: a potent N-methyl-D-aspartate antagonist; structure in first sourcedialkylarylamine;
tertiary amino compound
nalfurafine hydrochloride
temsirolimusmacrolide lactam
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
ith 4012
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
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
naloxonazinenaloxonazine: binds irreversibly to opiate receptor sites; structure given in first source
binodenoson
fpl 15896ar
(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
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
ggti 298GGTI 298: inhibits geranylgeranyltransferase-I; structure in first sourceleucine derivative
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
5'-amino-5'-deoxyadenosine
rwj 68354
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
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
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
sincalideSincalide: An octapeptide hormone present in the intestine and brain. When secreted from the gastric mucosa, it stimulates the release of bile from the gallbladder and digestive enzymes from the pancreas.oligopeptide
uk-432097UK-432097: a highly potent and selective agonist and drug candidate for chronic obstructive pulmonary disease (COPD) treatment; structure in first source
nebicaponenebicapone: structure in first source
o-demethyltramadolalkylbenzene;
ring assembly
tqx 173
n(6)-cyclohexyladenosineN(6)-cyclohexyladenosine: structure given in first source; receptors, purinergic P1 agonist
ro 64-6198Ro 64-6198: an orphanin FQ/nociceptin 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
st 1535
ripasudilisoquinolines
osi 930OSI 930: inhibits both receptor tyrosine kinase Kit and kinase insert domain receptor; structure in first sourcearomatic amide
(1rs,1's)-peaqx
ki 20227
gw 9578GW 9578: a peroxisome proliferator-activated receptor alpha agonist; 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
hmn-214(E)-4-(2-(2-(N-acetyl-N-(4-methoxybenzenesulfonyl)amino)stilbazole)) 1-oxide: an antineoplastic agent; structure in first source
ggti 2147
ly 255582
2-(2-(4-chlorophenyl)ethoxy)adenosine2-(2-(4-chlorophenyl)ethoxy)adenosine: a adenosine A2A receptor agonist
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
hki 272nitrile;
quinolines
antineoplastic agent;
tyrosine kinase inhibitor
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
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide
cediranibaromatic ether
4-n-butyl-1-(4-(2-methylphenyl)-4-oxo-1-butyl)-piperidine hydrogen chloride
tan 67quinolines
ly2090314LY-2090314 : A member of the class of diazepinoindoles that is 1,2,3,4-tetrahydro[1,4]diazepino[6,7,1-hi]indole substituted by piperidin-1-ylcarbonyl, 4-(imidazo[1,2-a]pyridin-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl and fluoro groups at position 2, 7 and 9, respectively. It is a potent ATP-competitive inhibitor of glycogen synthase kinase-3 (GSK-3) with IC50 values of 1.5 nM and 0.9 nM for GSK-3alpha and GSK-3beta. The drug is in clinical development for the treatment of advanced/metastatic cancer.diazepinoindole;
imidazopyridine;
maleimides;
monofluorobenzenes;
piperidinecarboxamide;
ureas
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
Wnt signalling activator
deltorphin ii, ala(2)-peptide
sb-612111
deltorphin i, ala(2)-deltorphin I, Ala(2)-: isolated from skin extracts of frogs belonging to the genus Phyllomedusa; has affinity to opioid receptorspeptide
masitinib1,3-thiazoles;
benzamides;
N-alkylpiperazine;
pyridines
antineoplastic agent;
antirheumatic drug;
tyrosine kinase inhibitor
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
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
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
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
bibw 2992aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound
antineoplastic agent;
tyrosine kinase inhibitor
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
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
vx 702VX 702: a p38 MAP kinase inhibitorphenylpyridine
ronacaleretronacaleret: a calcium-sensing receptor antagonist; structure 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
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
n-cyclopropyl adenosine-5'-carboxamide
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
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
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.
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
dynorphin (1-17)
sch 442416SCH 442416: an adenosine A2A receptor ligandtriazolopyrimidines
dynorphin a (1-11)-amide
h-dmt-tic-gly-nh-bzlH-Dmt-Tic-Gly-NH-Bzl: bifunctional opioid ligand;structure in first source
azd 7762aromatic amide;
thiophenes
regorafenib(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide
antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor
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
abt-737aromatic amine;
aryl sulfide;
biphenyls;
C-nitro compound;
monochlorobenzenes;
N-arylpiperazine;
N-sulfonylcarboxamide;
secondary amino compound;
tertiary amino compound
anti-allergic agent;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
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
mrs 3558
eluxadolineamino acid amide;
benzamides;
imidazoles;
L-phenylalanine derivative;
methoxybenzoic acid
delta-opioid receptor antagonist;
gastrointestinal drug;
kappa-opioid receptor agonist;
mu-opioid receptor agonist
amd 070mavorixafor: a derivative of AMD3100; a CXCR4 blockeraminoquinoline
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
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
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
adl 5859
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
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
nutlin-3anutlin 3: an MDM2 antagonist; structure in first sourcestilbenoid
salvinorin bsalvinorin B: from the herb, Salvia divinorum; structure in first sourcediterpene lactone
danusertibpiperazines
N-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamidebenzamides
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
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
MI-63MI-63 : An azaspiro compound resulting from the formal fusion of position 3 of 6-chloro-oxindole with position 3 of (2R,3SS5S)-3-(3-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-[2-(morpholin-4-yl)ethyl]pyrrolidine-2-carboxamide. It is a potent inhibitor of the MDM2-p53 interaction.azaspiro compound;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
oxindoles;
pyrrolidines;
secondary carboxamide
apoptosis inducer
ridaforolimusmacrolide lactam
ch 4987655
6-(5-((cyclopropylamino)carbonyl)-3-fluoro-2-methylphenyl)-n-(2,2-dimethylprpyl)-3-pyridinecarboxamidephenylpyridine
wz 811
cc-930
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
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
chir-265aromatic ether
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
GDC-0879indanes;
ketoxime;
primary alcohol;
pyrazoles;
pyridines
antineoplastic agent;
B-Raf inhibitor
lj 529
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
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
14-o-methyloxymorphone14-O-methyloxymorphone: highly selective and potent mu opioid receptor agonist; structure in first source
mitragynine, (3beta,16e,20beta)-isomer
mitragyninespeciogynine: structure in first source
gsk 461364GSK 461364: an antineoplastic agent that inhibits polo-like kinase 1(trifluoromethyl)benzenes
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
nvp-tae684piperidines
a 803467A 803467: an Nav1.8 sodium channel blocker; structure in first source
grandisine dgrandisine D: structure in first source
enmd 2076ENMD 2076: an antiangiogenic agent with aurora kinase inhibitory and antineoplastic activities
morphine sulfatealkaloid sulfate salt
e 7050aromatic ether
2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)-7-pyrido[2,3-d]pyrimidinonepyrazolopyridine
tak-901
tn14003TN14003: synthetic antagonist 14-mer peptide inhibiting metastasis in an animal model
nociceptinorganic molecular entity;
polypeptide
human metabolite;
rat metabolite
dynorphin (1-17)
complestatinchloropeptin II : A heterodetic cyclic peptide consisting of N-acylated trytophan, 3,5-dichloro-4-hydroxyphenylglycine, 4-hydroxyphenylglycine, 3,5-dichloro-4-hydroxyphenylglycyl, tyrosine and 4-hydroxyphenylglycine residues joined in sequence and in which the side-chain of the central 4-hydroxyphenylglycine residue is attached to the side-chain of the tryptophan via a C3-C6 bond and to the side-chain of the tyrosine via an ether bond from C5. It is isolated from the culture broth of Streptomyces and has anti-HIV-1 activity.

complestatin: compound extracted from Streptomyces lavendulae mycelia; on acid hydrolysis yields D-4-hydroxyphenylglycine & D-3,5-dichloro-4-hydroxyphenylglycine & acidic chromophore; inhibits gp120-CD4 binding

isocomplestatin : A heterodetic cyclic peptide which is a atropisomer of complestatin. It is isolated from the culture broth of Streptomyces and has anti-HIV-1 activity.
cyclic ether;
heterodetic cyclic peptide;
indoles;
organic heterobicyclic compound;
organochlorine compound;
peptide antibiotic;
polyphenol
anti-HIV-1 agent;
antimicrobial agent;
HIV-1 integrase inhibitor;
metabolite
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
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
azd5438sulfonamide
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
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
kx-01
cym51010CYM51010: structure in first source
plx 4720PLX 4720: a B-Raf(V600E) kinase inhibitor; structure in first sourcearomatic ketone;
difluorobenzene;
organochlorine compound;
pyrrolopyridine;
sulfonamide
antineoplastic agent;
B-Raf inhibitor
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
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
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
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
mk-1775adavosertib: a Wee1 kinase inhibitor; structure in first sourcepiperazines
AMG-208aromatic ether;
quinolines;
triazolopyridazine
antineoplastic agent;
c-Met tyrosine kinase inhibitor
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
tak 733
mk 2206MK 2206: a protein kinase inhibitor and antineoplastic agentorganic heterotricyclic compoundEC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
navitoclaxaryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
sns 314SNS 314: an aurora kinase inhibitor; structure in first sourceureas
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
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
defactinib
ly2584702
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
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
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
bay 869766
psb603PSB603: an adenosine A2B receptor antagonist
as 703026pyridinecarboxamide
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
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
7-spiroindanyloxymorphone7-spiroindanyloxymorphone: a delta opioid receptor agonist; structure given in first source
dabrafenib1,3-thiazoles;
aminopyrimidine;
organofluorine compound;
sulfonamide
anticoronaviral agent;
antineoplastic agent;
B-Raf inhibitor
nitd 609NITD 609: an antimalarial and coccidiostat; structure in first source
pki 587gedatolisib: inhibits both phosphatidylinositol 3-kinase and mTOR; structure in first source
cj 15,208
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
pf 3644022
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
pha 793887piperidinecarboxamide
sb 1518
abemaciclib
mk-8776
afuresertibamphetamines
gsk 1070916GSK 1070916: an antineoplastic agent with aurora B/C kinase inhibitory activitypyrazoles;
ring assembly
jnj38877605quinolines
dinaciclibpyrazolopyrimidine
gsk-5498a2,6-difluoro-N-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-1H-pyrazol-3-yl)benzamide: structure in first source

GSK-5498A : A member of the class of pyrazoles that is 1H-pyrazole substituted by 2-fluoro-6-(trifluoromethyl)benzyl and (2,6-difluorobenzoyl)amino groups at positions 1 and 3, respectively. It is a inhibitor of Ca(2+) release-activated Ca(2+) (CRAC) channel and inhibits the release of mast cell mediators and T-cell cytokines in human and rat preparations.
(trifluoromethyl)benzenes;
difluorobenzene;
pyrazoles;
secondary carboxamide
calcium channel blocker
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
abt-199venetoclax : A member of the class of pyrrolopyridines that is a potent inhibitor of the antiapoptotic protein B-cell lymphoma 2. It is used for treamtment of chronic lymphocytic leukemia with 17p deletion.

venetoclax: A BCL-2 inhibitor with antineoplastic activity that is used in the treatment of CHRONIC LYMPHOCYTIC LEUKEMIA associated with chromosome 17p deletion; structure in first source.
aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine
antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor
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
nvp-cgm097NVP-CGM097: an MDM2 and HDM2 inhibitor; structure in first source
bix 02565
teriflunomide(trifluoromethyl)benzenes;
aromatic amide;
enamide;
enol;
nitrile;
secondary carboxamide
drug metabolite;
EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor;
hepatotoxic agent;
non-steroidal anti-inflammatory drug;
tyrosine kinase inhibitor
byl719proline derivative
cep-32496agerafenib: inhibitor of RAF family kinases; structure in first source
ethyl 1-(4-(2,3,3-trichloroacrylamido)phenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylateethyl 1-(4-(2,3,3-trichloroacrylamido)phenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate: structure in first source
rociletinibrociletinib: inhibits epidermal growth factor receptor tyrosine kinase activity; structure in first source
jy-1-106JY-1-106: a BH3 alpha-helix mimetic that functions as a pan-Bcl-2 inhibitor; structure in first source
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
azd1208
vx-509
a-1155463A-1155463: a Bcl-X(L) inhibitor; structure in first source
gsk-7975a2,6-difluoro-N-(1-(4-hydroxy-2-(trifluoromethyl)benzyl)-1H-pyrazol-3-yl)benzamide: structure in first source
bm-1197BM-1197: inhibits both Bcl-xL and Bcl-2; has antineoplastic activity
trv130
debio 1347CH5183284: a fibroblast growth factor receptor antagonist; structure in first source
volitinib
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
a-1331852A-1331852: a Bcl-X(L) inhibitor; structure in first source
22-thiocyanatosalvinorin a22-thiocyanatosalvinorin A: structure in first source
BDA-366BDA-366 : A member of the class of anthraquinone that is 1,4-diamino-9,10-anthraquinone in which the two amino groups are carrying 3-(diethylamino)-2-hydroxypropyl and (oxiran-2-yl)methyl substituents. It exhibits anti-cancer properties.

BDA-366: has antineoplastic activity; binds Bcl-2 protein; structure in first source
anthraquinone;
epoxide;
secondary alcohol;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
apoptosis inducer
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
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
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
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
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
apogossypoloneapogossypolone: has antineoplastic activity; structure in first source
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