Page last updated: 2024-10-24

myoblast fusion

Definition

Target type: biologicalprocess

A process in which non-proliferating myoblasts fuse to existing fibers or to myotubes to form new fibers. A myoblast is a mononucleate cell type that, by fusion with other myoblasts, gives rise to the myotubes that eventually develop into skeletal muscle fibers. [CL:0000056, GOC:mtg_muscle]

Myoblast fusion is a complex process that is essential for the formation of skeletal muscle. It involves the coordinated interaction of multiple signaling pathways and cellular processes, leading to the fusion of individual myoblasts into multinucleated myotubes. This process is tightly regulated and is influenced by a variety of factors, including growth factors, transcription factors, and extracellular matrix components. Here is a detailed description of the biological process of myoblast fusion:

**1. Commitment and Activation:**

Myoblasts, the precursors of muscle fibers, are committed to the myogenic lineage and express specific myogenic transcription factors, such as MyoD and Myf5. These factors activate the expression of genes involved in myoblast proliferation and differentiation.

**2. Cell Cycle Exit and Differentiation:**

As myoblasts differentiate, they exit the cell cycle and begin to express genes involved in myoblast fusion. This includes the expression of cell adhesion molecules, such as integrins and cadherins, which mediate cell-cell interactions.

**3. Alignment and Contact:**

Myoblasts align themselves along the long axis of the developing muscle fiber. This alignment is facilitated by cell-cell interactions mediated by cell adhesion molecules. Once aligned, myoblasts make contact with each other through specialized fusion sites.

**4. Fusion Pore Formation:**

At the fusion sites, the plasma membranes of two myoblasts come into close proximity. Fusion pores form at these sites, allowing for the merging of the two cells. The formation of fusion pores is a complex process that involves the recruitment of specific proteins, including fusogens (e.g., Myomaker, Myomerger) and regulatory proteins (e.g., MFGE8, Syncytin-1).

**5. Membrane and Cytoplasm Merging:**

Once fusion pores are formed, the plasma membranes of the two myoblasts fuse, allowing for the merging of their cytoplasm and organelles. The nuclei of the two myoblasts remain distinct within the newly formed myotube.

**6. Myotube Maturation:**

The newly formed myotubes continue to grow and differentiate. They synthesize and assemble muscle-specific proteins, such as myosin and actin, which form the contractile apparatus of muscle fibers. The myotubes also align themselves along the long axis of the muscle fiber, forming organized bundles of muscle fibers.

**7. Formation of Mature Muscle Fiber:**

As the myotubes mature, they fuse with other myotubes to form larger, multinucleated muscle fibers. This process continues until the muscle fiber reaches its final size and shape.

**Factors Affecting Myoblast Fusion:**

* **Growth Factors:** Growth factors, such as fibroblast growth factor (FGF) and insulin-like growth factor (IGF), play a role in stimulating myoblast proliferation and differentiation, which are essential for myoblast fusion.
* **Transcription Factors:** Myogenic transcription factors, such as MyoD and Myf5, activate genes involved in myoblast fusion, and their expression is regulated by growth factors and other signaling pathways.
* **Extracellular Matrix Components:** Extracellular matrix components, such as laminin and fibronectin, provide structural support and guidance to myoblasts, and they also play a role in regulating myoblast fusion.
* **Cytoskeletal Dynamics:** The cytoskeleton plays an essential role in myoblast alignment, cell-cell contact, and fusion pore formation.
* **Signaling Pathways:** Various signaling pathways, such as the Wnt, MAPK, and PI3K pathways, regulate myoblast fusion by controlling the expression of fusion-related genes and the activity of fusion proteins.

**Consequences of Defective Myoblast Fusion:**

Defects in myoblast fusion can lead to various muscle disorders, including muscular dystrophies. These disorders are characterized by muscle weakness, degeneration, and atrophy.

In summary, myoblast fusion is a highly regulated and complex process that is essential for the formation of functional skeletal muscle. It involves a coordinated interplay of various signaling pathways, cellular processes, and molecular components.'
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Proteins (10)

ProteinDefinitionTaxonomy
Dual specificity tyrosine-phosphorylation-regulated kinase 1BA dual specificity tyrosine-phosphorylation-regulated kinase 1B that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9Y463]Homo sapiens (human)
A disintegrin and metalloproteinase with thrombospondin motifs 5An a disintegrin and metalloproteinase with thrombospondin motifs 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UNA0]Homo sapiens (human)
Voltage-dependent L-type calcium channel subunit alpha-1SA voltage-dependent L-type calcium channel subunit alpha-1S that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q13698]Homo sapiens (human)
Myosin-9A myosin-9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P35579]Homo sapiens (human)
Nitric oxide synthase, brainA nitric oxide synthase 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P29475]Homo sapiens (human)
Calpain-2 catalytic subunitA calpain-2 catalytic subunit that is encoded in the genome of human. [PRO:DNx, UniProtKB:P17655]Homo sapiens (human)
Integrin beta-1An integrin beta-1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P05556]Homo sapiens (human)
Potassium voltage-gated channel subfamily H member 1A voltage-gated potassium channel KCNH1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:O95259]Homo sapiens (human)
Voltage-dependent T-type calcium channel subunit alpha-1HA voltage-dependent T-type calcium channel subunit alpha-1H that is encoded in the genome of human. [PRO:DNx, UniProtKB:O95180]Homo sapiens (human)
Disintegrin and metalloproteinase domain-containing protein 12A disintegrin and metalloproteinase domain-containing protein 12 that is encoded in the genome of human. [PRO:DNx, UniProtKB:O43184]Homo sapiens (human)

Compounds (272)

CompoundDefinitionClassesRoles
imidazole1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1.

imidazole: RN given refers to parent cpd
imidazole
gallopamilGallopamil: Coronary vasodilator that is an analog of iproveratril (VERAPAMIL) with one more methoxy group on the benzene ring.benzenes;
organic amino compound
s,s'-1,4-phenylene-bis(1,2-ethanediyl)bis-isothioureaS,S'-1,4-phenylene-bis(1,2-ethanediyl)bis-isothiourea: structure in first source
n-(3-(aminomethyl)benzyl)acetamidineN-(3-(aminomethyl)benzyl)acetamidine: structure in first source

N-[3-(aminomethyl)benzyl]acetamidine : An aralkylamine that is Nbenzylacetamidine substituted at position 3 on the benzene ring by an aminomethyl group. An inhibitor of nitric oxide synthase.
aralkylamine;
carboxamidine;
primary amino compound
angiogenesis inhibitor;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
geroprotector
2-amino-4-picoline2-amino-4-picoline: RN given refers to parent cpd
3-bromo-7-nitroindazole
phenytoinimidazolidine-2,4-dioneanticonvulsant;
drug allergen;
sodium channel blocker;
teratogenic agent
7-nitroindazole7-nitroindazole: an inhibitor of nitric oxide synthase; exhibits anti-nociceptive activity without increasing blood pressure
tacrinetacrine : A member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease.

Tacrine: A cholinesterase inhibitor that crosses the blood-brain barrier. Tacrine has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimer's disease and other central nervous system disorders.
acridines;
aromatic amine
EC 3.1.1.7 (acetylcholinesterase) inhibitor
N-(2-aminoethyl)-5-chloro-1-naphthalenesulfonamidenaphthalenes;
sulfonic acid derivative
beta-aminoethyl isothioureabeta-Aminoethyl Isothiourea: A radiation-protective agent that can inhibit DNA damage by binding to the DNA. It also increases the susceptibility of blood cells to complement-mediated lysis.
pimagedineaminoguanidine : A one-carbon compound whose unique structure renders it capable of acting as a derivative of hydrazine, guanidine or formamide.

pimagedine: diamine oxidase & nitric oxide synthase inhibitor; an advanced glycosylation end product inhibitor; used in the treatment of diabetic complications; structure
guanidines;
one-carbon compound
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
EC 1.4.3.4 (monoamine oxidase) inhibitor
2-aminothiazole1,3-thiazol-2-amine : A primary amino compound that is 1,3-thiazole substituted by an amino group at position 2.

2-aminothiazole: RN given refers to parent cpd; structure
1,3-thiazoles;
primary amino compound
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
amitriptylineamitriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5.

Amitriptyline: Tricyclic antidepressant with anticholinergic and sedative properties. It appears to prevent the re-uptake of norepinephrine and serotonin at nerve terminals, thus potentiating the action of these neurotransmitters. Amitriptyline also appears to antagonize cholinergic and alpha-1 adrenergic responses to bioactive amines.
carbotricyclic compound;
tertiary amine
adrenergic uptake inhibitor;
antidepressant;
environmental contaminant;
tropomyosin-related kinase B receptor agonist;
xenobiotic
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
bepridilbepridil : A tertiary amine in which the substituents on nitrogen are benzyl, phenyl and 3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl.

Bepridil: A long-acting calcium-blocking agent with significant anti-anginal activity. The drug produces significant coronary vasodilation and modest peripheral effects. It has antihypertensive and selective anti-arrhythmia activities and acts as a calmodulin antagonist.
pyrrolidines;
tertiary amine
anti-arrhythmia drug;
antihypertensive agent;
calcium channel blocker;
vasodilator agent
verapamil2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile : A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.

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

Verapamil: A calcium channel blocker that is a class IV anti-arrhythmia agent.
aromatic ether;
nitrile;
polyether;
tertiary amino compound
celecoxiborganofluorine compound;
pyrazoles;
sulfonamide;
toluenes
cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
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
cifenlinediarylmethane
cilostazollactam;
tetrazoles
anticoagulant;
bronchodilator agent;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
fibrin modulating drug;
neuroprotective agent;
platelet aggregation inhibitor;
vasodilator agent
cisapridecisapride : The amide resulting from formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with cis-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-amine. It has been used (as its monohydrate or as its tartrate) for the treatment of gastro-oesophageal reflux disease and for non-ulcer dyspepsia, but its propensity to cause cardiac arrhythmias resulted in its complete withdrawal from many countries, including the U.K., and restrictions on its use elsewhere.

Cisapride: A substituted benzamide used for its prokinetic properties. It is used in the management of gastroesophageal reflux disease, functional dyspepsia, and other disorders associated with impaired gastrointestinal motility. (Martindale The Extra Pharmacopoeia, 31st ed)
benzamides
diazepamdiazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a methyl group at position 1 and a phenyl group at position 5.

Diazepam: A benzodiazepine with anticonvulsant, anxiolytic, sedative, muscle relaxant, and amnesic properties and a long duration of action. Its actions are mediated by enhancement of GAMMA-AMINOBUTYRIC ACID activity.
1,4-benzodiazepinone;
organochlorine compound
anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic
disopyramidedisopyramide : A monocarboxylic acid amide that is butanamide substituted by a diisopropylamino group at position 4, a phenyl group at position 2 and a pyridin-2-yl group at position 2. It is used as a anti-arrhythmia drug.

Disopyramide: A class I anti-arrhythmic agent (one that interferes directly with the depolarization of the cardiac membrane and thus serves as a membrane-stabilizing agent) with a depressant action on the heart similar to that of guanidine. It also possesses some anticholinergic and local anesthetic properties.
monocarboxylic acid amide;
pyridines;
tertiary amino compound
anti-arrhythmia drug
donepezil2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one : A member of the class of indanones that is 5,6-dimethoxyindan-1-one which is substituted at position 2 by an (N-benzylpiperidin-4-yl)methyl group.

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

Donepezil: An indan and piperidine derivative that acts as a selective and reversible inhibitor of ACETYLCHOLINESTERASE. Donepezil is highly selective for the central nervous system and is used in the management of mild to moderate DEMENTIA in ALZHEIMER DISEASE.
aromatic ether;
indanones;
piperidines;
racemate
EC 3.1.1.7 (acetylcholinesterase) inhibitor;
EC 3.1.1.8 (cholinesterase) inhibitor;
nootropic agent
droperidoldroperidol : An organofluorine compound that is haloperidol in which the hydroxy group has been eliminated with the introduction of a double bond in the piperidine ring, and the 4-chlorophenyl group has been replaced by a benzimidazol-2-on-1-yl group. It is used in the management of chemotherapy-induced nausea and vomiting, and in conjunction with an opioid analgesic such as fentanyl to maintain the patient in a calm state of neuroleptanalgesia with indifference to surroundings but still able to cooperate with the surgeon.

Droperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It is used in conjunction with an opioid analgesic such as FENTANYL to maintain the patient in a calm state of neuroleptanalgesia with indifference to surroundings but still able to cooperate with the surgeon. It is also used as a premedicant, as an antiemetic, and for the control of agitation in acute psychoses. (From Martindale, The Extra Pharmacopoeia, 29th ed, p593)
aromatic ketone;
benzimidazoles;
organofluorine compound
anaesthesia adjuvant;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic
s-ethyl n-(4-(trifluoromethyl)phenyl)isothioureaS-ethyl N-(4-(trifluoromethyl)phenyl)isothiourea: structure in first source
flecainideflecainide : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 2,5-bis(2,2,2-trifluoroethoxy)benzoic acid with the primary amino group of piperidin-2-ylmethylamine. An antiarrhythmic agent used (in the form of its acetate salt) to prevent and treat tachyarrhythmia (abnormal fast rhythm of the heart).

Flecainide: A potent anti-arrhythmia agent, effective in a wide range of ventricular and atrial ARRHYTHMIAS and TACHYCARDIAS.
aromatic ether;
monocarboxylic acid amide;
organofluorine compound;
piperidines
anti-arrhythmia drug
haloperidolhaloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.

Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279)
aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol
antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist
imipramineimipramine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom.

Imipramine: The prototypical tricyclic antidepressant. It has been used in major depression, dysthymia, bipolar depression, attention-deficit disorders, agoraphobia, and panic disorders. It has less sedative effect than some other members of this therapeutic group.
dibenzoazepineadrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
loratadineloratadine : A benzocycloheptapyridine that is 6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine substituted by a chloro group at position 8 and a 1-(ethoxycarbonyl)piperidin-4-ylidene group at position 11. It is a H1-receptor antagonist commonly employed in the treatment of allergic disorders.

Loratadine: A second-generation histamine H1 receptor antagonist used in the treatment of allergic rhinitis and urticaria. Unlike most classical antihistamines (HISTAMINE H1 ANTAGONISTS) it lacks central nervous system depressing effects such as drowsiness.
benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide
anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist
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
metronidazolemetronidazole : A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death.

Metronidazole: A nitroimidazole used to treat AMEBIASIS; VAGINITIS; TRICHOMONAS INFECTIONS; GIARDIASIS; ANAEROBIC BACTERIA; and TREPONEMAL INFECTIONS.
C-nitro compound;
imidazoles;
primary alcohol
antiamoebic agent;
antibacterial drug;
antimicrobial agent;
antiparasitic agent;
antitrichomonal drug;
environmental contaminant;
prodrug;
radiosensitizing agent;
xenobiotic
mexiletinemexiletine : An aromatic ether which is 2,6-dimethylphenyl ether of 2-aminopropan-1-ol.

Mexiletine: Antiarrhythmic agent pharmacologically similar to LIDOCAINE. It may have some anticonvulsant properties.
aromatic ether;
primary amino compound
anti-arrhythmia drug
mitoxantronemitoxantrone : A dihydroxyanthraquinone that is 1,4-dihydroxy-9,10-anthraquinone which is substituted by 6-hydroxy-1,4-diazahexyl groups at positions 5 and 8.

Mitoxantrone: An anthracenedione-derived antineoplastic agent.
dihydroxyanthraquinoneanalgesic;
antineoplastic agent
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
nitrendipinenitrendipine : A dihydropyridine that is 1,4-dihydropyridine substituted by methyl groups at positions 2 and 6, a 3-nitrophenyl group at position 4, a ethoxycarbonyl group at position 3 and a methoxycarbonyl group at position 5. It is a calcium-channel blocker used in the treatment of hypertension.

Nitrendipine: A calcium channel blocker with marked vasodilator action. It is an effective antihypertensive agent and differs from other calcium channel blockers in that it does not reduce glomerular filtration rate and is mildly natriuretic, rather than sodium retentive.
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester
antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
pentobarbitalpentobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and sec-pentyl groups.

Pentobarbital: A short-acting barbiturate that is effective as a sedative and hypnotic (but not as an anti-anxiety) agent and is usually given orally. It is prescribed more frequently for sleep induction than for sedation but, like similar agents, may lose its effectiveness by the second week of continued administration. (From AMA Drug Evaluations Annual, 1994, p236)
barbituratesGABAA receptor agonist
procainamideprocainamide : A benzamide that is 4-aminobenzamide substituted on the amide N by a 2-(diethylamino)ethyl group. It is a pharmaceutical antiarrhythmic agent used for the medical treatment of cardiac arrhythmias.

Procainamide: A class Ia antiarrhythmic drug that is structurally-related to PROCAINE.
benzamidesanti-arrhythmia drug;
platelet aggregation inhibitor;
sodium channel blocker
risperidonerisperidone : A member of the class of pyridopyrimidines that is 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl group at position 2.

Risperidone: A selective blocker of DOPAMINE D2 RECEPTORS and SEROTONIN 5-HT2 RECEPTORS that acts as an atypical antipsychotic agent. It has been shown to improve both positive and negative symptoms in the treatment of SCHIZOPHRENIA.
1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine
alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
psychotropic drug;
second generation antipsychotic;
serotonergic antagonist
rofecoxibbutenolide;
sulfone
analgesic;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug
etironetiron: a nitric oxide synthase inhibitor; RN given refers to parent cpd; structure
s-methylisothiopseudouroniumS-methylisothiopseudouronium: inhibits nitric oxide synthase; structure in first source
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
sotalolsotalol : A sulfonamide that is N-phenylmethanesulfonamide in which the phenyl group is substituted at position 4 by a 1-hydroxy-2-(isopropylamino)ethyl group. It has both beta-adrenoreceptor blocking (Vaughan Williams Class II) and cardiac action potential duration prolongation (Vaughan Williams Class III) antiarrhythmic properties. It is used (usually as the hydrochloride salt) for the management of ventricular and supraventricular arrhythmias.

Sotalol: An adrenergic beta-antagonist that is used in the treatment of life-threatening arrhythmias.
ethanolamines;
secondary alcohol;
secondary amino compound;
sulfonamide
anti-arrhythmia drug;
beta-adrenergic antagonist;
environmental contaminant;
xenobiotic
imatinibaromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
sumatriptansumatriptan : A sulfonamide that consists of N,N-dimethyltryptamine bearing an additional (N-methylsulfamoyl)methyl substituent at position 5. Selective agonist for a vascular 5-HT1 receptor subtype (probably a member of the 5-HT1D family). Used (in the form of its succinate salt) for the acute treatment of migraine with or without aura in adults.

Sumatriptan: A serotonin agonist that acts selectively at 5HT1 receptors. It is used in the treatment of MIGRAINE DISORDERS.
sulfonamide;
tryptamines
serotonergic agonist;
vasoconstrictor agent
terfenadineTerfenadine: A selective histamine H1-receptor antagonist devoid of central nervous system depressant activity. The drug was used for ALLERGY but withdrawn due to causing LONG QT SYNDROME.diarylmethane
thioridazinethioridazine : A phenothiazine derivative having a methylsulfanyl subsitituent at the 2-position and a (1-methylpiperidin-2-yl)ethyl] group at the N-10 position.

Thioridazine: A phenothiazine antipsychotic used in the management of PHYCOSES, including SCHIZOPHRENIA.
phenothiazines;
piperidines
alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
argininearginine : An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group.

Arginine: An essential amino acid that is physiologically active in the L-form.
arginine;
glutamine family amino acid;
L-alpha-amino acid;
proteinogenic amino acid
biomarker;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical
1,3-ditolylguanidine1,3-ditolylguanidine: structure given in first source; a selective ligand for the sigma binding sites in the braintoluenes
indazolesIndazoles: A group of heterocyclic aromatic organic compounds consisting of the fusion of BENZENE and PYRAZOLES.indazole
citrullinecitrulline : The parent compound of the citrulline class consisting of ornithine having a carbamoyl group at the N(5)-position.amino acid zwitterion;
citrulline
Daphnia magna metabolite;
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
Escherichia coli metabolite;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
protective agent;
Saccharomyces cerevisiae metabolite
alpha-aminopyridinealpha-aminopyridine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #485

aminopyridine : Compounds containing a pyridine skeleton substituted by one or more amine groups.
2-amino-3-methylpyridine2-amino-3-methylpyridine: structure in first source
2-aminothiazoline2-aminothiazoline: RN given refers to parent cpd; structure in first source & in Negwer, 5th ed, #97

4,5-dihydro-1,3-thiazol-2-amine : A 1,3-thiazole that is 4,5-dihydro-1,3-thiazole substituted by an amino group at position 2.
1,3-thiazoles;
primary amino compound
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
5-nitroindazole
terodilinediarylmethane
6-nitroindazole
halofantrinehalofantrine: used in treatment of mild to moderate acute malariaphenanthrenes
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
diltiazemdiltiazem : A 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have S configuration. A calcium-channel blocker and vasodilator, it is used as the hydrochloride in the management of angina pectoris and hypertension.

Diltiazem: A benzothiazepine derivative with vasodilating action due to its antagonism of the actions of CALCIUM ion on membrane functions.
5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetateantihypertensive agent;
calcium channel blocker;
vasodilator agent
ng-nitroarginine methyl esterNG-Nitroarginine Methyl Ester: A non-selective inhibitor of nitric oxide synthase. It has been used experimentally to induce hypertension.alpha-amino acid ester;
L-arginine derivative;
methyl ester;
N-nitro compound
EC 1.14.13.39 (nitric oxide synthase) inhibitor
piperacillinpiperacillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-[(4-ethyl-2,3-dioxopiperazin-1-yl)carboxamido]-2-phenylacetamido group.

Piperacillin: Semisynthetic, broad-spectrum, AMPICILLIN derived ureidopenicillin antibiotic proposed for PSEUDOMONAS infections. It is also used in combination with other antibiotics.
penicillin;
penicillin allergen
antibacterial drug
paroxetineparoxetine : A benzodioxole that consists of piperidine bearing 1,3-benzodioxol-5-yloxy)methyl and 4-fluorophenyl substituents at positions 3 and 4 respectively; the (3S,4R)-diastereomer. Highly potent and selective 5-HT uptake inhibitor that binds with high affinity to the serotonin transporter (Ki = 0.05 nM). Ki values are 1.1, 350 and 1100 nM for inhibition of [3H]-5-HT, [3H]-l-NA and [3H]-DA uptake respectively. Displays minimal affinity for alpha1-, alpha2- or beta-adrenoceptors, 5-HT2A, 5-HT1A, D2 or H1 receptors at concentrations below 1000 nM, however displays weak affinity for muscarinic ACh receptors (Ki = 42 nM). Antidepressant and anxiolytic in vivo.

Paroxetine: A serotonin uptake inhibitor that is effective in the treatment of depression.
aromatic ether;
benzodioxoles;
organofluorine compound;
piperidines
antidepressant;
anxiolytic drug;
hepatotoxic agent;
P450 inhibitor;
serotonin uptake inhibitor
triciribine phosphate
staurosporineindolocarbazole alkaloid;
organic heterooctacyclic compound
apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector
n-(4-nitrophenacyl)imidazoleN-(4-nitrophenacyl)imidazole: structure in first source
sertindolesertindole : A phenylindole that is 1H-indole which is substituted on the nitrogen by a p-chlorophenyl group, at position 5 by chlorine, and at position 3 by a piperidin-4-yl group, which is itself substituted on the nitrogen by a 2-(2-oxoimidazolidin-1-yl)ethyl group.heteroarylpiperidine;
imidazolidinone;
organochlorine compound;
organofluorine compound;
phenylindole
alpha-adrenergic antagonist;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic antagonist
sparfloxacinfluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone;
quinolone antibiotic
mibefradilMibefradil: A benzimidazoyl-substituted tetraline that selectively binds and inhibits CALCIUM CHANNELS, T-TYPE.tetralinsT-type calcium channel blocker
ibutilideibutilide: RN & structure in first source; RN refers to the fumarate saltbenzenes;
organic amino compound
lamivudinemonothioacetal;
nucleoside analogue;
oxacycle;
primary alcohol
allergen;
anti-HBV agent;
antiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor;
HIV-1 reverse transcriptase inhibitor;
prodrug
duloxetineduloxetine
tirofibantirofiban : A member of the class of piperidines that is L-tyrosine in which a hydrogen attached to the amino group is replaced by a butylsulfonyl group and in which the hydrogen attached to the phenolic hydroxy group is replaced by a 4-(piperidin-4-yl)butyl group.

Tirofiban: Tyrosine analog and PLATELET GLYCOPROTEIN GPIIB-IIIA COMPLEX antagonist that inhibits PLATELET AGGREGATION and is used in the treatment of ACUTE CORONARY SYNDROME.
L-tyrosine derivative;
piperidines;
sulfonamide
anticoagulant;
fibrin modulating drug;
platelet glycoprotein-IIb/IIIa receptor antagonist
uk 68798aromatic ether;
sulfonamide;
tertiary amino compound
anti-arrhythmia drug;
potassium channel blocker
voriconazolevoriconazole : A triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by Scedosporium apiospermum and Fusarium spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4.

Voriconazole: A triazole antifungal agent that specifically inhibits STEROL 14-ALPHA-DEMETHYLASE and CYTOCHROME P-450 CYP3A.
conazole antifungal drug;
difluorobenzene;
pyrimidines;
tertiary alcohol;
triazole antifungal drug
P450 inhibitor
vexibinolsophoraflavanone G : A tetrahydroxyflavanone having a structure of naringenin bearing an additional hydroxyl substituent at position 2' as well as a (2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl (lavandulyl) substituent at position 8'.

vexibinol: flavanol from Sophora; structure in first source; RN given refers to (S-(R*,S*))-isomer
(2S)-flavan-4-one;
4'-hydroxyflavanones;
tetrahydroxyflavanone
antimalarial;
antimicrobial agent;
antioxidant;
plant metabolite
1-aminoisoquinoline
6-aminoindazole6-aminoindazole: depresses gastric acid secretion; structure given in first sourceindazoles
1-phenylimidazole1-phenylimidazole: ligand for cytochrome P-450 & inhibitor of microsomal oxidation
3-indazolinone3-indazolinone: structure given in first source
5-aminoindazole
3,5-dimethylpyrazole-1-carboxamidine3,5-dimethylpyrazole-1-carboxamidine: guanidinating reagent for proteins; RN given refers to parent cpd
arginyl-glycyl-aspartic acidarginyl-glycyl-aspartic acid: amino acid sequence of basic unit of widespread cellular recognition systemoligopeptide
arginyl-glycyl-aspartyl-serinearginyl-glycyl-aspartyl-serine: corresponds to cell attachment site of fibronectin; located near carboxyl-terminal region of alpha-chain of fibrinogen; inhibits platelet aggregation & fibrinogen binding to activated platelets
s-methylthiocitrullineS-methyl-L-thiocitrulline : An L-arginine derivative in which the guanidino NH2 group of L-arginine is replaced by a methylsufanyl group.

S-methylthiocitrulline: a nitric oxide synthase inhibitor; structure in first source
imidothiocarbamic ester;
L-arginine derivative;
L-ornithine derivative;
non-proteinogenic L-alpha-amino acid
EC 1.14.13.39 (nitric oxide synthase) inhibitor;
neuroprotective agent
n(g)-iminoethylornithineL-alpha-amino acid
paliperidone3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one : A member of the class of pyridopyrimidines that is 9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl group at position 2.

paliperidone : A racemate comprising equimolar amounts of (R)- and (S)-paliperidone. Paliperidone is the primary active metabolite of the older antipsychotic risperidone and is used for treatment of schizophrenia.
1,2-benzoxazoles;
heteroarylpiperidine;
organofluorine compound;
pyridopyrimidine;
secondary alcohol
marimastatmarimastat : A secondary carboxamide resulting from the foraml condensation of the carboxy group of (2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the alpha-amino group of N,3-dimethyl-L-valinamide.

marimastat: a matrix metalloproteinase inhibitor active in patients with advanced carcinoma of the pancreas, prostate, or ovary
hydroxamic acid;
secondary carboxamide
antineoplastic agent;
matrix metalloproteinase inhibitor
gefitinibaromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
epidermal growth factor receptor antagonist
glycyl-arginyl-glycyl-aspartyl-serineglycyl-arginyl-glycyl-aspartyl-serine: synthetic peptide from fibronectins; inhibits experimental metastasis of murine melanoma cells
n,n-dimethylarginineN,N-dimethylarginine: asymmetric dimethylarginine; do not confuse with N,N'-dimethylarginine

N(omega),N(omega)-dimethyl-L-arginine : A L-arginine derivative having two methyl groups both attached to the primary amino moiety of the guanidino group.
dimethylarginine;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid
EC 1.14.13.39 (nitric oxide synthase) inhibitor
lestaurtinibindolocarbazole
ilomastatCS 610: matrix metalloproteinase inhibitor; structure in first source

ilomastat : An N-acyl-amino acid obtained by formal condensation of the carboxy group of (2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the amino group of N-methyl-L-tryptophanamide. A cell permeable broad-spectrum matrix metalloproteinase (MMP) inhibitor
hydroxamic acid;
L-tryptophan derivative;
N-acyl-amino acid
anti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
EC 3.4.24.24 (gelatinase A) inhibitor;
neuroprotective agent
d-arg-gly-asp-trparginyl-glycyl-aspartyl-tryptophan: a synthetic RGD-containing peptide
omega-n-methylarginineN(omega)-methyl-L-arginine : A L-arginine derivative with a N(omega)-methyl substituent.

omega-N-Methylarginine: A competitive inhibitor of nitric oxide synthetase.
amino acid zwitterion;
arginine derivative;
guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid
ng-nitroarginine methyl esterN(gamma)-nitro-L-arginine methyl ester hydrochloride : A hydrochloride obtained by combining N(gamma)-nitro-L-arginine methyl ester with one equivalent of hydrochloric acid.hydrochlorideEC 1.14.13.39 (nitric oxide synthase) 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
moxifloxacinmoxifloxacin : A quinolone that consists of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid bearing a cyclopropyl substituent at position 1, a fluoro substitiuent at position 6, a (4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl group at position 7 and a methoxy substituent at position 8. A member of the fluoroquinolone class of antibacterial agents.

Moxifloxacin: A fluoroquinolone that acts as an inhibitor of DNA TOPOISOMERASE II and is used as a broad-spectrum antibacterial agent.
aromatic ether;
cyclopropanes;
fluoroquinolone antibiotic;
pyrrolidinopiperidine;
quinolinemonocarboxylic acid;
quinolone;
quinolone antibiotic
antibacterial drug
l 738167L 738167: structure in first source
ruboxistaurinruboxistaurin: inhibits protein kinase C beta; structure in first source
solifenacinisoquinolines
canertinibmonochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase inhibitor
birb 796aromatic ether;
morpholines;
naphthalenes;
pyrazoles;
ureas
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
immunomodulator
telbivudinepyrimidine 2'-deoxyribonucleosideantiviral drug;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
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
delta-n-methylarginineN(5)-methyl-L-arginine : A non-proteinogenic L-alpha-amino acid that is L-arginine substituted by a methyl group at N(5)-position.guanidines;
L-arginine derivative;
non-proteinogenic L-alpha-amino acid
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
erlotinibaromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound
antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
cilengitideCilengitide: an alphaVbeta3 integrin antagonist that paralyzes cancer cellsoligopeptide
l 734217L 734217: fibrinogen receptor antagonist; structure given in first source
2-amino-5,6-dihydro-4h-1,3-thiazine2-amino-5,6-dihydro-4H-1,3-thiazine: RN given refers to parent cpd
lapatinibfurans;
organochlorine compound;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase inhibitor
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
2-amino-5-methylthiazole2-amino-5-methylthiazole: binds the W191G cavity of E coli cytochrome c peroxidase
nitroarginineN(gamma)-nitro-L-arginine : An L-arginine derivative that is L-arginine in which the terminal nitrogen of the guanidyl group is replaced by a nitro group.

Nitroarginine: An inhibitor of nitric oxide synthetase which has been shown to prevent glutamate toxicity. Nitroarginine has been experimentally tested for its ability to prevent ammonia toxicity and ammonia-induced alterations in brain energy and ammonia metabolites. (Neurochem Res 1995:200(4):451-6)
guanidines;
L-arginine derivative;
N-nitro compound;
non-proteinogenic L-alpha-amino acid
quinidinequinidine : A cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy.

Quinidine: An optical isomer of quinine, extracted from the bark of the CHINCHONA tree and similar plant species. This alkaloid dampens the excitability of cardiac and skeletal muscles by blocking sodium and potassium currents across cellular membranes. It prolongs cellular ACTION POTENTIALS, and decreases automaticity. Quinidine also blocks muscarinic and alpha-adrenergic neurotransmission.
cinchona alkaloidalpha-adrenergic antagonist;
anti-arrhythmia drug;
antimalarial;
drug allergen;
EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor;
EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor;
muscarinic antagonist;
P450 inhibitor;
potassium channel blocker;
sodium channel blocker
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
linezolidacetamides;
morpholines;
organofluorine compound;
oxazolidinone
antibacterial drug;
protein synthesis inhibitor
cyclopaminepiperidinesglioma-associated oncogene inhibitor
pd 173955PD 173955: inhibits src family-selective tyrosine kinase; structure in first sourcearyl sulfide;
dichlorobenzene;
methyl sulfide;
pyridopyrimidine
tyrosine kinase inhibitor
vinyl-l-nio
arl 17477
benzyloxycarbonylleucyl-leucyl-leucine aldehydebenzyloxycarbonylleucyl-leucyl-leucine aldehyde: proteasome inhibitor

N-benzyloxycarbonyl-L-leucyl-L-leucyl-L-leucinal : A tripeptide that is L-leucyl-L-leucyl-L-leucine in which the C-terminal carboxy group has been reduced to the corresponding aldehyde and the N-terminal amino group is protected as its benzyloxycarbonyl derivative.
amino aldehyde;
carbamate ester;
tripeptide
proteasome inhibitor
8-prenylnaringenin8-prenylnaringenin: a phytogenic antineoplastic agent; structure in first source

sophoraflavanone B : A trihydroxyflavanone that is (S)-naringenin having a prenyl group at position 8.
(2S)-flavan-4-one;
4'-hydroxyflavanones;
trihydroxyflavanone
plant metabolite;
platelet aggregation inhibitor
s 1033(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide
anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
flunarizineFlunarizine: Flunarizine is a selective calcium entry blocker with calmodulin binding properties and histamine H1 blocking activity. It is effective in the prophylaxis of migraine, occlusive peripheral vascular disease, vertigo of central and peripheral origin, and as an adjuvant in the therapy of epilepsy.diarylmethane
tg 003TG 003: a Clk inhibitor; structure in first source
n(6)-(1-iminoethyl)lysineN(6)-acetimidoyl-L-lysine : An L-lysine derivative that is L-lysine in which one of the hydrogens attached to N(6) is substituted by an acetimidoyl groupL-lysine derivative;
non-proteinogenic L-alpha-amino acid
pyrazole-1-carboxamidinepyrazole-1-carboxamidine: structure given in first source
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
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
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
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
arginyl-glycyl-aspartyl-phenylalanine
zd 6474CH 331: structure in first sourcearomatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine
antineoplastic agent;
tyrosine kinase inhibitor
5'-(4-methylphenyl)-2-spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]oneorganonitrogen compound;
organooxygen compound
ml106ML106: imidazobenzimidazole, inhibits melanin synthesis; structure in first sourcequinazolines
6-(1,3-benzodioxol-5-yl)-N-(2-furanylmethyl)-N-methyl-4-quinazolinaminequinazolines
2-phenoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamidetetralins
blisterblebbistatin : A pyrroloquinoline that is 1,2,3,3a-tetrahydro-H-pyrrolo[2,3-b]quinolin-4-one substituted by a hydroxy group at position 3a, a methyl group at position 6 and a phenyl group at position 1. It acts as an inhibitor of ATPase activity of non-muscle myosin II.

blebbistatin: structure in first source
cyclic ketone;
pyrroloquinoline;
tertiary alcohol;
tertiary alpha-hydroxy ketone
inhibitor
(S)-4',5,7-Trihydroxy-6-prenylflavanoneflavanones
sitagliptinsitagliptin : A triazolopyrazine that exhibits hypoglycemic activity.triazolopyrazine;
trifluorobenzene
EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor;
environmental contaminant;
hypoglycemic agent;
serine proteinase inhibitor;
xenobiotic
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1H-imidazol-2-yl)benzamide: a TGF-beta type I receptor kinase activity inhibitorbenzamides;
benzodioxoles;
imidazoles;
pyridines
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
np 1188091-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one: an N-type calcium channel blocker; structure in first source
harmineharmine : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7.

Harmine: Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920's.
harmala alkaloidanti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite
cilnidipine2-methoxyethyl ester;
C-nitro compound;
dihydropyridine
antihypertensive agent;
calcium channel blocker;
cardiovascular drug
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
as 605240(5Z)-5-(quinoxalin-6-ylmethylidene)-1,3-thiazolidine-2,4-dione : A quinoxaline derivative that is quinoxaline in which the hydrogen at position 6 is replaced by a (2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl group. It is a potent inhibitor of the PI3Kgamma, with an IC50 of 8 nM and inhibits the progression of joint inflammation and damage in both lymphocyte-independent and dependent mouse models of rheumatoid arthritis.

5-quinoxalin-6-ylmethylenethiazolidine-2,4-dione: a PI3Kgamma inhibitor; structure in first source
quinoxaline derivative;
thiazolidinediones
anti-inflammatory agent;
antirheumatic drug;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
benzyloxycarbonyl-phe-ala-fluormethylketonecathepsin B inhibitor : A cysteine protease inhibitor which inhibits cathepsin B (EC 3.4.22.1).
l 7458703-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-1H-pyrrolo(2,3-b)pyridine: selective for D(4) receptors; structure in first sourcepiperazines
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
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
ceftriaxone1,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether
antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor
vx680N-arylpiperazine
ekb 569EKB 569: an EGF receptor kinase inhibitoraminoquinoline;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile
protein kinase inhibitor
axitinibaryl sulfide;
benzamides;
indazoles;
pyridines
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
pd 1843522-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide: inhibits MAP kinase kinase; structure in first sourceaminobenzoic acid
ith 4012
gw 274150
av 412
bms3455414(2'-aminoethyl)amino-1,8-dimethylimidazo(1,2-a)quinoxaline: structure in first sourcequinoxaline derivative
ca 074
midostaurinmidostaurin : An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine.benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound
antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor
l 772405L 772405: an h5-HT(1D) receptor agonist; structure in first source
cyclic(arg-gly-asp-d-phe-val)
mk-0429
mocetinostatmocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11).

mocetinostat: undergoing phase II clinical trials for treatment of cancer
aminopyrimidine;
benzamides;
pyridines;
secondary amino compound;
secondary carboxamide;
substituted aniline
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
cardioprotective agent;
EC 3.5.1.98 (histone deacetylase) inhibitor;
hepatotoxic agent
ki 20227
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
tr 14035N-(2,6-dichlorobenzoyl)-4-(2',6'-bismethoxyphenyl)phenylalanine: TR-14035 is the (L)-isomer; an antagonist of both alpha4beta1 and beta7 integrins; structure in first source
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
NNC 55-0396 (free base)benzimidazoles;
cyclopropanecarboxylate ester;
organofluorine compound;
tertiary amino compound;
tetralins
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker
bio 1211BIO 1211: integrin alpha4beta1 inhibitor; structure in first source
leucettamine bleucettamine B: a protein kinase inhibitor isolated from the marine sponge Leucetta microraphis; structure in first source
masitinib1,3-thiazoles;
benzamides;
N-alkylpiperazine;
pyridines
antineoplastic agent;
antirheumatic drug;
tyrosine kinase inhibitor
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
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
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
pha 665752dichlorobenzene;
enamide;
indolones;
N-acylpyrrolidine;
pyrrolecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide
antineoplastic agent;
c-Met tyrosine kinase inhibitor
calpain inhibitor iiicalpain inhibitor III: potential anticataract drug
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-onemethoxybenzenes;
substituted aniline
brivanibaromatic ether;
diether;
fluoroindole;
pyrrolotriazine;
secondary alcohol
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist
rgb 286638
bms-566394BMS-566394: structure in first source
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
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
kw 2449KW 2449: has both multikinase inhibitory activity and antineoplastic activity; structure in first source
abt 869aromatic amine;
indazoles;
phenylureas
angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
ridaforolimusmacrolide lactam
cc-930
gw 25805-(3-methoxy-4-((4-methoxybenzyl)oxy)benzyl)pyrimidine-2,4-diamine: a cFMS kinase inhibitor; 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
chir-265aromatic ether
motesanibpyridinecarboxamide
fostamatinibfostamatinib: a spleen tyrosine kinase (Syk) inhibitor, metabolized to R406
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
GDC-0879indanes;
ketoxime;
primary alcohol;
pyrazoles;
pyridines
antineoplastic agent;
B-Raf inhibitor
tg100801
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
e 7050aromatic ether
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
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
icotinib
nnc 55-0396NNC 55-0396 dihydrochloride : The dihydrochloride salt of NNC 55-0396. It is a stable analogue of mibefradil and a highly selective T-type calcium channel blocker.

NNC 55-0396: a calcium channel blocker with high selectivity for CaV3 channels over high voltage activated channels; structure in first source
hydrochlorideangiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
neuroprotective agent;
potassium channel blocker;
T-type calcium channel blocker
kx-01
kys 05090
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
mln 8237MLN 8237: an aurora kinase A inhibitorbenzazepine
sgx 523aryl sulfide;
biaryl;
pyrazoles;
quinolines;
triazolopyridazine
c-Met tyrosine kinase inhibitor;
nephrotoxic agent
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
AMG-208aromatic ether;
quinolines;
triazolopyridazine
antineoplastic agent;
c-Met tyrosine kinase inhibitor
quizartinibbenzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor
mk 2206MK 2206: a protein kinase inhibitor and antineoplastic agentorganic heterotricyclic compoundEC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
sns 314SNS 314: an aurora kinase inhibitor; structure in first sourceureas
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
incb-018424nitrile;
pyrazoles;
pyrrolopyrimidine
antineoplastic agent;
EC 2.7.10.2 (non-specific 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 1838705aorganonitrogen compound;
organooxygen compound
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
6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinaminequinazolines
dabrafenib1,3-thiazoles;
aminopyrimidine;
organofluorine compound;
sulfonamide
anticoronaviral agent;
antineoplastic agent;
B-Raf inhibitor
ulixacaltamideZ944: a T-type calcium channel antagonistbenzamides;
monochlorobenzenes;
monofluorobenzenes;
piperidines;
secondary carboxamide
non-narcotic analgesic;
T-type calcium channel blocker
1-(4-(3-bromophenoxy)butyl)-1h-imidazole1-(4-(3-bromophenoxy)butyl)-1H-imidazole: structure in first source
[5-[4-[(5-methyl-2-furanyl)methylamino]-6-quinazolinyl]-2-furanyl]methanolquinazolines
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
gsk 1070916GSK 1070916: an antineoplastic agent with aurora B/C kinase inhibitory activitypyrazoles;
ring assembly
alectinibaromatic ketone;
morpholines;
nitrile;
organic heterotetracyclic compound;
piperidines
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
encorafenibencorafenib: a BRAF inhibitor
raltegravir1,2,4-oxadiazole;
dicarboxylic acid amide;
hydroxypyrimidine;
monofluorobenzenes;
pyrimidone;
secondary carboxamide
antiviral drug;
HIV-1 integrase inhibitor
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
ajmaline
chir 258
((5z)5-(1,3-benzodioxol-5-yl)methylene-2-phenylamino-3,5-dihydro-4h-imidazol-4-one)leucettine L41 : A member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a (2-anilino-5-oxo-1,5-dihydro-4H-imidazol-4-ylidene)methyl group at position 5. It is an inhibitor of DYRK1A, DYRK2, CLK1, and CLK3 (IC50s = 0.04, 0.035, 0.015, and 4.5 muM, respectively).benzodioxoles;
imidazolone;
substituted aniline
autophagy inducer;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.12.1 (dual-specificity kinase) inhibitor;
neuroprotective agent;
nootropic agent
sapropterin(6R)-5,6,7,8-tetrahydrobiopterin : A 5,6,7,8-tetrahydrobiopterin in which the stereocentre at position 6 has R-configuration.

sapropterin : A tetrahydropterin that is 2-amino-5,6,7,8-tetrahydropteridin-4(3H)-one in which a hydrogen at position 6 is substituted by a 1,2-dihydroxypropyl group (6R,1'R,2'S-enantiomer).

sapropterin: RN given refers to parent cpd; co-factor required for catalytic activity of nitric oxide synthases
5,6,7,8-tetrahydrobiopterincoenzyme;
cofactor;
diagnostic agent;
human metabolite
clozapineclozapine : A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia.

Clozapine: A tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a major adverse effect associated with administration of this agent.
benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound
adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic
6-hydroxymethylpterin
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.
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