Page last updated: 2024-10-24

proton transmembrane transport

Definition

Target type: biologicalprocess

The directed movement of a proton across a membrane. [GO_REF:0000069, GOC:pr, GOC:TermGenie]

Proton transmembrane transport is a fundamental process in biology, crucial for maintaining cellular pH, generating ATP, and powering various metabolic reactions. This transport involves the movement of protons (H+) across cellular membranes, driven by electrochemical gradients or active transport mechanisms.

**Electrochemical Gradient-Driven Transport:**

- **Passive diffusion:** Protons can move down their concentration gradient through specific proton channels embedded in the membrane. These channels are often gated and regulated, allowing for controlled proton flux.
- **Facilitated diffusion:** Proton carriers, such as the proton-coupled symporters and antiporters, utilize the energy stored in the electrochemical gradient of other ions to move protons across the membrane. For example, a proton-sodium antiporter uses the inward gradient of sodium ions to drive the outward movement of protons.

**Active Transport:**

- **Proton pumps:** These membrane-bound proteins utilize energy sources like ATP hydrolysis or light energy to actively move protons against their concentration gradient. This creates a proton gradient across the membrane, storing potential energy.
- **Proton-translocating ATPases:** These specialized pumps utilize the energy from ATP hydrolysis to pump protons across the membrane, generating a proton motive force. This force is used to power other cellular processes, such as ATP synthesis.

**Biological Significance:**

- **Cellular pH regulation:** Proton transport is essential for maintaining the pH balance within cells, which is crucial for enzyme activity and overall cellular function.
- **ATP synthesis:** Proton pumps and proton-translocating ATPases are crucial components of oxidative phosphorylation, the primary pathway for ATP production in eukaryotic cells.
- **Metabolic processes:** Proton gradients are used to power various metabolic reactions, such as nutrient uptake, waste excretion, and signal transduction.
- **Organelle function:** Proton transport plays a role in the function of specific organelles, such as mitochondria, lysosomes, and vacuoles.

**Examples:**

- **Mitochondrial electron transport chain:** Protons are pumped across the mitochondrial inner membrane by electron carriers, generating a proton gradient that drives ATP synthesis.
- **Gastric acid secretion:** Proton pumps in parietal cells of the stomach actively pump protons into the stomach lumen, generating gastric acid.
- **Plant photosynthesis:** Light-driven proton pumps in chloroplasts generate a proton gradient that powers ATP synthesis and drives carbon fixation.

Proton transmembrane transport is a highly regulated and complex process that is essential for the survival and function of all living organisms.'
"

Proteins (39)

ProteinDefinitionTaxonomy
Multidrug transporter MdfAA multidrug transporter MdfA that is encoded in the genome of Escherichia coli K-12. [PRO:DNx, UniProtKB:P0AEY8]Escherichia coli K-12
Synaptic vesicular amine transporterA synaptic vesicular amine transporter that is encoded in the genome of cow. [OMA:Q27963, PRO:DNx]Bos taurus (cattle)
ATP synthase subunit epsilon, mitochondrialAn ATP synthase subunit epsilon, mitochondrial that is encoded in the genome of cow. [OMA:P05632, PRO:DAN]Bos taurus (cattle)
ATP synthase subunit gamma, mitochondrial[no definition available]Bos taurus (cattle)
ATP synthase subunit delta, mitochondrialAn ATP synthase subunit delta, mitochondrial that is encoded in the genome of cow. [OMA:P05630, PRO:DNx]Bos taurus (cattle)
ATP synthase subunit beta, mitochondrialAn ATP synthase subunit beta, mitochondrial that is encoded in the genome of cow. [OMA:P00829, PRO:DNx]Bos taurus (cattle)
Sodium/potassium-transporting ATPase subunit alpha-2A sodium/potassium-transporting ATPase subunit alpha-2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P50993]Homo sapiens (human)
Potassium-transporting ATPase alpha chain 1A potassium-transporting ATPase alpha chain 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P20648]Homo sapiens (human)
Potassium-transporting ATPase alpha chain 2A potassium-transporting ATPase alpha chain 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P54707]Homo sapiens (human)
Proton-coupled amino acid transporter 1A proton-coupled amino acid transporter 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q7Z2H8]Homo sapiens (human)
Sodium/potassium-transporting ATPase subunit alpha-3A sodium/potassium-transporting ATPase subunit alpha-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P13637]Homo sapiens (human)
Sodium/hydrogen exchanger 2A sodium/hydrogen exchanger 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9UBY0]Homo sapiens (human)
Solute carrier family 5 member 4A probable glucose sensor protein SLC5A4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NY91]Homo sapiens (human)
Solute carrier family 2, facilitated glucose transporter member 9A solute carrier family 2, facilitated glucose transporter member 9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NRM0]Homo sapiens (human)
SialinA sialin that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q9NRA2]Homo sapiens (human)
Proton-coupled folate transporterA proton-coupled folate transporter that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96NT5]Homo sapiens (human)
Multidrug and toxin extrusion protein 1A multidrug and toxin extrusion protein 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q96FL8]Homo sapiens (human)
Stimulator of interferon genes proteinA transmembrane protein 173 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q86WV6]Homo sapiens (human)
Multidrug and toxin extrusion protein 2A multidrug and toxin extrusion protein 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q86VL8]Homo sapiens (human)
Sodium/hydrogen exchanger 9B2A sodium/hydrogen exchanger 9B2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q86UD5]Homo sapiens (human)
Vesicular acetylcholine transporterA vesicular acetylcholine transporter that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16572]Homo sapiens (human)
Solute carrier family 15 member 2A solute carrier family 15 member 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q16348]Homo sapiens (human)
V-type proton ATPase subunit S1A V-type proton ATPase subunit S1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q15904]Homo sapiens (human)
Sodium/hydrogen exchanger 5A sodium/hydrogen exchanger 5 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q14940]Homo sapiens (human)
Sodium/potassium-transporting ATPase subunit alpha-4A sodium/potassium-transporting ATPase subunit alpha-4 that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q13733]Homo sapiens (human)
Synaptic vesicular amine transporterA synaptic vesicular amine transporter that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q05940]Homo sapiens (human)
Sodium/potassium-transporting ATPase subunit gammaA sodium/potassium-transporting ATPase subunit gamma that is encoded in the genome of human. [PRO:DNx, UniProtKB:P54710]Homo sapiens (human)
Chromaffin granule amine transporterA chromaffin granule amine transporter that is encoded in the genome of human. [PRO:DNx, UniProtKB:P54219]Homo sapiens (human)
Monocarboxylate transporter 1A monocarboxylate transporter 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P53985]Homo sapiens (human)
Potassium-transporting ATPase subunit betaA potassium-transporting ATPase subunit beta that is encoded in the genome of human. [PRO:DNx, UniProtKB:P51164]Homo sapiens (human)
Sodium/hydrogen exchanger 3A sodium/hydrogen exchanger 3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P48764]Homo sapiens (human)
Solute carrier family 15 member 1A solute carrier family 15 member 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P46059]Homo sapiens (human)
V-type proton ATPase subunit B, brain isoformA V-type proton ATPase subunit B, brain isoform that is encoded in the genome of human. [PRO:DNx, UniProtKB:P21281]Homo sapiens (human)
Sodium/hydrogen exchanger 1A sodium/hydrogen exchanger 1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P19634]Homo sapiens (human)
Cytochrome c1, heme protein, mitochondrialA cytochrome c1, heme protein, mitochondrial that is encoded in the genome of human. [PRO:DNx, UniProtKB:P08574]Homo sapiens (human)
ADP/ATP translocase 2An ADP/ATP translocase 2 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P05141]Homo sapiens (human)
Sodium/potassium-transporting ATPase subunit beta-1A sodium/potassium-transporting ATPase subunit beta-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P05026]Homo sapiens (human)
Sodium/potassium-transporting ATPase subunit alpha-1 A sodium/potassium-transporting ATPase subunit alpha-1 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P05023]Homo sapiens (human)
Cytochrome c oxidase subunit 2A cytochrome c oxidase subunit 2 that is encoded in the genome of human. [PRO:CNA, UniProtKB:P00403]Homo sapiens (human)

Compounds (515)

CompoundDefinitionClassesRoles
gamma-aminobutyric acidgamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4.

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

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

5-aminovaleric acid: from red fox anal secretion; RN given refers to parent cpd
amino acid zwitterion;
delta-amino acid;
omega-amino fatty acid
human metabolite
beta-alanineamino acid zwitterion;
beta-amino acid
agonist;
fundamental metabolite;
human metabolite;
inhibitor;
neurotransmitter
betaineglycine betaine : The amino acid betaine derived from glycine.amino-acid betaine;
glycine derivative
fundamental metabolite
aminocaproic acid6-aminohexanoic acid : An epsilon-amino acid comprising hexanoic acid carrying an amino substituent at position C-6. Used to control postoperative bleeding, and to treat overdose effects of the thrombolytic agents streptokinase and tissue plasminogen activator.

Aminocaproic Acid: An antifibrinolytic agent that acts by inhibiting plasminogen activators which have fibrinolytic properties.
amino acid zwitterion;
epsilon-amino acid;
omega-amino fatty acid
antifibrinolytic drug;
hematologic agent;
metabolite
creatineglycine derivative;
guanidines;
zwitterion
geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent;
nutraceutical
alanylalaninealanylalanine: RN given refers to (DL)-isomerdipeptide
glycinealpha-amino acid;
amino acid zwitterion;
proteinogenic amino acid;
serine family amino acid
EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor;
fundamental metabolite;
hepatoprotective agent;
micronutrient;
neurotransmitter;
NMDA receptor agonist;
nutraceutical
glycocyamineglycocyamine: RN given refers to parent cpd; structure

guanidinoacetate : A monocarboxylic acid anion that is the conjugate base of guanidinoacetic acid, obtained by deprotonation of the carboxy group.

guanidinoacetic acid : The N-amidino derivative of glycine.
guanidinoacetic acids;
zwitterion
bacterial metabolite;
human metabolite;
mouse metabolite;
nutraceutical;
rat metabolite
niacinNiacin: A water-soluble vitamin of the B complex occurring in various animal and plant tissues. It is required by the body for the formation of coenzymes NAD and NADP. It has PELLAGRA-curative, vasodilating, and antilipemic properties.

nicotinic acid : A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group.

vitamin B3 : Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms).
pyridine alkaloid;
pyridinemonocarboxylic acid;
vitamin B3
antidote;
antilipemic drug;
EC 3.5.1.19 (nicotinamidase) inhibitor;
Escherichia coli metabolite;
human urinary metabolite;
metabolite;
mouse metabolite;
plant metabolite;
vasodilator agent
orotic acidorotic acid : A pyrimidinemonocarboxylic acid that is uracil bearing a carboxy substituent at position C-6.

Orotic Acid: An intermediate product in PYRIMIDINE synthesis which plays a role in chemical conversions between DIHYDROFOLATE and TETRAHYDROFOLATE.
pyrimidinemonocarboxylic acidEscherichia coli metabolite;
metabolite;
mouse metabolite
picolinic acidpicolinic acid : A pyridinemonocarboxylic acid in which the carboxy group is located at position 2. It is an intermediate in the metabolism of tryptophan.

picolinic acid: iron-chelating agent that inhibits DNA synthesis; may interfere with iron-dependent production of stable free organic radical which is essential for ribonucleotide reductase formation of deoxyribonucleotides; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7206
pyridinemonocarboxylic acidhuman metabolite;
MALDI matrix material
sarcosinecocobetaine: N-alkyl-betaine; cause of shampoo dermatitisN-alkylglycine;
N-alkylglycine zwitterion;
N-methyl-amino acid;
N-methylglycines
Escherichia coli metabolite;
glycine receptor agonist;
glycine transporter 1 inhibitor;
human metabolite;
mouse metabolite
taurineamino sulfonic acid;
zwitterion
antioxidant;
Escherichia coli metabolite;
glycine receptor agonist;
human metabolite;
mouse metabolite;
nutrient;
radical scavenger;
Saccharomyces cerevisiae metabolite
uric acid6-hydroxy-1H-purine-2,8(7H,9H)-dione : A tautomer of uric acid having oxo groups at C-2 and C-8 and a hydroxy group at C-6.

7,9-dihydro-1H-purine-2,6,8(3H)-trione : An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8.

uric acid : An oxopurine that is the final oxidation product of purine metabolism.

Uric Acid: An oxidation product, via XANTHINE OXIDASE, of oxypurines such as XANTHINE and HYPOXANTHINE. It is the final oxidation product of purine catabolism in humans and primates, whereas in most other mammals URATE OXIDASE further oxidizes it to ALLANTOIN.
uric acidEscherichia coli metabolite;
human metabolite;
mouse metabolite
tramiprosate3-aminopropanesulfonic acid : An amino sulfonic acid that is the 3-amino derivative of propanesulfonic acid.

tramiprosate: GABA receptor agonist and a glycosaminoglycan mimetic; has nootropic acitivity; structure; a sulfonate analog of GABA
amino sulfonic acid;
zwitterion
algal metabolite;
anti-inflammatory agent;
anticonvulsant;
GABA agonist;
nootropic agent
5-(n,n-hexamethylene)amiloride5-(N,N-hexamethylene)amiloride : A member of the class of pyrazines that is amiloride in which the two amino hydrogens at position N-5 are replaced by a hexamethylene moiety, resulting in the formation of an azepane ring.

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

ethylisopropylamiloride: structure in first source
aromatic amine;
guanidines;
monocarboxylic acid amide;
organochlorine compound;
pyrazines;
tertiary amino compound
anti-arrhythmia drug;
neuroprotective agent;
sodium channel blocker
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
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
buspironebuspirone : An azaspiro compound that is 8-azaspiro[4.5]decane-7,9-dione substituted at the nitrogen atom by a 4-(piperazin-1-yl)butyl group which in turn is substituted by a pyrimidin-2-yl group at the N(4) position.

Buspirone: An anxiolytic agent and serotonin receptor agonist belonging to the azaspirodecanedione class of compounds. Its structure is unrelated to those of the BENZODIAZAPINES, but it has an efficacy comparable to DIAZEPAM.
azaspiro compound;
N-alkylpiperazine;
N-arylpiperazine;
organic heteropolycyclic compound;
piperidones;
pyrimidines
anxiolytic drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
sedative;
serotonergic agonist
camostatcamostat : A benzoate ester resulting from the formal condensation of the carboxy group of 4-guanidinobenzoic acid with the hydroxy group of 2-(dimethylamino)-2-oxoethyl (4-hydroxyphenyl)acetate. It is a potent inhibitor of the human transmembrane protease serine 2 (TMPRSS2) and its mesylate salt is currently under investigation for its effectiveness in COVID-19 patients.benzoate ester;
carboxylic ester;
diester;
guanidines;
tertiary carboxamide
anti-inflammatory agent;
anticoronaviral agent;
antifibrinolytic drug;
antihypertensive agent;
antineoplastic agent;
antiviral agent;
serine protease inhibitor
carvedilolcarbazoles;
secondary alcohol;
secondary amino compound
alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent
celecoxiborganofluorine compound;
pyrazoles;
sulfonamide;
toluenes
cyclooxygenase 2 inhibitor;
geroprotector;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
cetirizinecetirizine : A member of the class of piperazines that is piperazine in which the hydrogens attached to nitrogen are replaced by a (4-chlorophenyl)(phenyl)methyl and a 2-(carboxymethoxy)ethyl group respectively.

Cetirizine: A potent second-generation histamine H1 antagonist that is effective in the treatment of allergic rhinitis, chronic urticaria, and pollen-induced asthma. Unlike many traditional antihistamines, it does not cause drowsiness or anticholinergic side effects.
ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines
anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic
ciclopiroxcyclic hydroxamic acid;
hydroxypyridone antifungal drug;
pyridone
antibacterial agent;
antiseborrheic
cimetidinecimetidine : A member of the class of guanidines that consists of guanidine carrying a methyl substituent at position 1, a cyano group at position 2 and a 2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl group at position 3. It is a H2-receptor antagonist that inhibits the production of acid in stomach.

Cimetidine: A histamine congener, it competitively inhibits HISTAMINE binding to HISTAMINE H2 RECEPTORS. Cimetidine has a range of pharmacological actions. It inhibits GASTRIC ACID secretion, as well as PEPSIN and GASTRIN output.
aliphatic sulfide;
guanidines;
imidazoles;
nitrile
adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
clonidineclonidine (amino form) : A clonidine that is 4,5-dihydro-1H-imidazol-2-amine in which one of the amino hydrogens is replaced by a 2,6-dichlorophenyl group.

Clonidine: An imidazoline sympatholytic agent that stimulates ALPHA-2 ADRENERGIC RECEPTORS and central IMIDAZOLINE RECEPTORS. It is commonly used in the management of HYPERTENSION.
clonidine;
imidazoline
diclofenacdiclofenac : A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position.

Diclofenac: A non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions. It is primarily available as the sodium salt.
amino acid;
aromatic amine;
dichlorobenzene;
monocarboxylic acid;
secondary amino compound
antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
xenobiotic
dipyridamoledipyridamole : A pyrimidopyrimidine that is 2,2',2'',2'''-(pyrimido[5,4-d]pyrimidine-2,6-diyldinitrilo)tetraethanol substituted by piperidin-1-yl groups at positions 4 and 8 respectively. A vasodilator agent, it inhibits the formation of blood clots.

Dipyridamole: A phosphodiesterase inhibitor that blocks uptake and metabolism of adenosine by erythrocytes and vascular endothelial cells. Dipyridamole also potentiates the antiaggregating action of prostacyclin. (From AMA Drug Evaluations Annual, 1994, p752)
piperidines;
pyrimidopyrimidine;
tertiary amino compound;
tetrol
adenosine phosphodiesterase inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
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
domperidonedomperidone : 1-[3-(Piperidin-1-yl)propyl]-1,3-dihydro-2H-benzimidazol-2-one in which the 4-position of the piperidine ring is substituted by a 5-chloro-1,3-dihydro-2H-benzimidazol-2-on-1-yl group. A dopamine antagonist, it is used as an antiemetic for the short-term treatment of nausea and vomiting, and to control gastrointestinal effects of dopaminergic drugs given in the management of parkinsonism. The free base is used in oral suspensions, while the maleate salt is used in tablet preparations.

Domperidone: A specific blocker of dopamine receptors. It speeds gastrointestinal peristalsis, causes prolactin release, and is used as antiemetic and tool in the study of dopaminergic mechanisms.
benzimidazoles;
heteroarylpiperidine
antiemetic;
dopaminergic antagonist
enoxacinenoxacin : A 1,8-naphthyridine derivative that is 1,4-dihydro-1,8-naphthyridine with an ethyl group at the 1 position, a carboxy group at the 3-position, an oxo sustituent at the 4-position, a fluoro substituent at the 5-position and a piperazin-1-yl group at the 7 position. An antibacterial, it is used in the treatment of urinary-tract infections and gonorrhoea.

Enoxacin: A broad-spectrum 6-fluoronaphthyridinone antibacterial agent that is structurally related to NALIDIXIC ACID.
1,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic
antibacterial drug;
DNA synthesis inhibitor
epinastineepinastine : A benzazepine that is 6,11-dihydro-5H-dibenzo[b,e]azepine in which the azepine ring is fused to the e side of 4,5-dihydro-1H-imidazol-2-amine.

epinastine: RN given refers parent cpd
benzazepine;
guanidines
anti-allergic agent;
H1-receptor antagonist;
histamine antagonist;
ophthalmology drug
flufenamic acidflufenamic acid : An aromatic amino acid consisting of anthranilic acid carrying an N-(trifluoromethyl)phenyl substituent. An analgesic and anti-inflammatory, it is used in rheumatic disorders.

Flufenamic Acid: An anthranilic acid derivative with analgesic, anti-inflammatory, and antipyretic properties. It is used in musculoskeletal and joint disorders and administered by mouth and topically. (From Martindale, The Extra Pharmacopoeia, 30th ed, p16)
aromatic amino acid;
organofluorine compound
antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
furosemidefurosemide : A chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure.

Furosemide: A benzoic-sulfonamide-furan. It is a diuretic with fast onset and short duration that is used for EDEMA and chronic RENAL INSUFFICIENCY.
chlorobenzoic acid;
furans;
sulfonamide
environmental contaminant;
loop diuretic;
xenobiotic
gabexateGabexate: A serine proteinase inhibitor used therapeutically in the treatment of pancreatitis, disseminated intravascular coagulation (DIC), and as a regional anticoagulant for hemodialysis. The drug inhibits the hydrolytic effects of thrombin, plasmin, and kallikrein, but not of chymotrypsin and aprotinin.benzoate ester
glyburideglyburide : An N-sulfonylurea that is acetohexamide in which the acetyl group is replaced by a 2-(5-chloro-2-methoxybenzamido)ethyl group.

Glyburide: An antidiabetic sulfonylurea derivative with actions like those of chlorpropamide
monochlorobenzenes;
N-sulfonylurea
anti-arrhythmia drug;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor;
hypoglycemic agent
granisetronaromatic amide;
indazoles
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
lidocainelidocaine : The monocarboxylic acid amide resulting from the formal condensation of N,N-diethylglycine with 2,6-dimethylaniline.

Lidocaine: A local anesthetic and cardiac depressant used as an antiarrhythmia agent. Its actions are more intense and its effects more prolonged than those of PROCAINE but its duration of action is shorter than that of BUPIVACAINE or PRILOCAINE.
benzenes;
monocarboxylic acid amide;
tertiary amino compound
anti-arrhythmia drug;
drug allergen;
environmental contaminant;
local anaesthetic;
xenobiotic
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
indomethacinindometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis.

Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.
aromatic ether;
indole-3-acetic acids;
monochlorobenzenes;
N-acylindole
analgesic;
drug metabolite;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
gout suppressant;
non-steroidal anti-inflammatory drug;
xenobiotic;
xenobiotic metabolite
avaproirbesartan : A biphenylyltetrazole that is an angiotensin II receptor antagonist used mainly for the treatment of hypertension.

Irbesartan: A spiro compound, biphenyl and tetrazole derivative that acts as an angiotensin II type 1 receptor antagonist. It is used in the management of HYPERTENSION, and in the treatment of kidney disease.
azaspiro compound;
biphenylyltetrazole
angiotensin receptor antagonist;
antihypertensive agent;
environmental contaminant;
xenobiotic
isoguvacineisoguvacine: A GABA agonist; RN given refers to parent cpd; structuretetrahydropyridine
4-piperidinecarboxylic acid4-piperidinecarboxylic acid: structure in first source
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazolineWHI P131: a quinazoline derivative, inhibitor of glioblastoma cell adhesion and migration
ketanserinketanserin : A member of the class of quinazolines that is quinazoline-2,4(1H,3H)-dione which is substituted at position 3 by a 2-[4-(p-fluorobenzoyl)piperidin-1-yl]ethyl group.

Ketanserin: A selective serotonin receptor antagonist with weak adrenergic receptor blocking properties. The drug is effective in lowering blood pressure in essential hypertension. It also inhibits platelet aggregation. It is well tolerated and is particularly effective in older patients.
aromatic ketone;
organofluorine compound;
piperidines;
quinazolines
alpha-adrenergic antagonist;
antihypertensive agent;
cardiovascular drug;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
serotonergic antagonist
lansoprazoleLansoprazole: A 2,2,2-trifluoroethoxypyridyl derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS. Lansoprazole is a racemic mixture of (R)- and (S)-isomers.benzimidazoles;
pyridines;
sulfoxide
anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
losartanlosartan : A biphenylyltetrazole where a 1,1'-biphenyl group is attached at the 5-position and has an additional trisubstituted imidazol-1-ylmethyl group at the 4'-position

Losartan: An antagonist of ANGIOTENSIN TYPE 1 RECEPTOR with antihypertensive activity due to the reduced pressor effect of ANGIOTENSIN II.
biphenylyltetrazole;
imidazoles
angiotensin receptor antagonist;
anti-arrhythmia drug;
antihypertensive agent;
endothelin receptor antagonist
metforminmetformin : A member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1.

Metformin: A biguanide hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. Metformin improves glycemic control by improving insulin sensitivity and decreasing intestinal absorption of glucose. (From Martindale, The Extra Pharmacopoeia, 30th ed, p289)
guanidinesenvironmental contaminant;
geroprotector;
hypoglycemic agent;
xenobiotic
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
nifekalantamine
omeprazole5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a [4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl group at position 2 and a methoxy group at position 5.

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

Omeprazole: A 4-methoxy-3,5-dimethylpyridyl, 5-methoxybenzimidazole derivative of timoprazole that is used in the therapy of STOMACH ULCERS and ZOLLINGER-ELLISON SYNDROME. The drug inhibits an H(+)-K(+)-EXCHANGING ATPASE which is found in GASTRIC PARIETAL CELLS.
aromatic ether;
benzimidazoles;
pyridines;
sulfoxide
ondansetronOndansetron: A competitive serotonin type 3 receptor antagonist. It is effective in the treatment of nausea and vomiting caused by cytotoxic chemotherapy drugs, including cisplatin, and has reported anxiolytic and neuroleptic properties.carbazoles
orphenadrineorphenadrine : A tertiary amino compound which is the phenyl-o-tolylmethyl ether of 2-(dimethylamino)ethanol.

Orphenadrine: A muscarinic antagonist used to treat drug-induced parkinsonism and to relieve pain from muscle spasm.
ether;
tertiary amino compound
antidyskinesia agent;
antiparkinson drug;
H1-receptor antagonist;
muscarinic antagonist;
muscle relaxant;
NMDA receptor antagonist;
parasympatholytic
pantoprazolepantoprazole : A member of the class of benzimidazoles that is 1H-benzimidazole substituted by a difluoromethoxy group at position 5 and a [(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl group at position 2.

Pantoprazole: 2-pyridinylmethylsulfinylbenzimidazole proton pump inhibitor that is used in the treatment of GASTROESOPHAGEAL REFLUX and PEPTIC ULCER.
aromatic ether;
benzimidazoles;
organofluorine compound;
pyridines;
sulfoxide
anti-ulcer drug;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
environmental contaminant;
xenobiotic
pentamidinepentamidine : A diether consisting of pentane-1,5-diol in which both hydroxyl hydrogens have been replaced by 4-amidinophenyl groups. A trypanocidal drug that is used for treatment of cutaneous leishmaniasis and Chagas disease.

Pentamidine: Antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of PNEUMOCYSTIS pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects.
aromatic ether;
carboxamidine;
diether
anti-inflammatory agent;
antifungal agent;
calmodulin antagonist;
chemokine receptor 5 antagonist;
EC 2.3.1.48 (histone acetyltransferase) inhibitor;
NMDA receptor antagonist;
S100 calcium-binding protein B inhibitor;
trypanocidal drug;
xenobiotic
phenacetinSaridon: contains phenacetin, caffeine, propyphenazone & pyrithyldioneacetamides;
aromatic ether
cyclooxygenase 3 inhibitor;
non-narcotic analgesic;
peripheral nervous system drug
phloretindihydrochalconesantineoplastic agent;
plant metabolite
prazosinprazosin : A member of the class of piperazines that is piperazine substituted by a furan-2-ylcarbonyl group and a 4-amino-6,7-dimethoxyquinazolin-2-yl group at positions 1 and 4 respectively.

Prazosin: A selective adrenergic alpha-1 antagonist used in the treatment of HEART FAILURE; HYPERTENSION; PHEOCHROMOCYTOMA; RAYNAUD DISEASE; PROSTATIC HYPERTROPHY; and URINARY RETENTION.
aromatic ether;
furans;
monocarboxylic acid amide;
piperazines;
quinazolines
alpha-adrenergic antagonist;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
ranitidinearalkylamine
rimantadineRimantadine: An RNA synthesis inhibitor that is used as an antiviral agent in the prophylaxis and treatment of influenza.alkylamine
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
imatinibaromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
sulfacetamidesulfacetamide : A sulfonamide that is sulfanilamide acylated on the sulfonamide nitrogen.

Sulfacetamide: An anti-bacterial agent that is used topically to treat skin infections and orally for urinary tract infections.
N-sulfonylcarboxamide;
substituted aniline
antibacterial drug;
antiinfective agent;
antimicrobial agent;
EC 2.5.1.15 (dihydropteroate synthase) 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
thiabendazoleTresaderm: dermatologic soln containing dexamethasone, thiabendazole & neomycin sulfate1,3-thiazoles;
benzimidazole fungicide;
benzimidazoles
antifungal agrochemical;
antinematodal drug
vesamicolvesamicol: RN given refers to parent cpd; structurepiperidines
ici 204,219zafirlukast: a leukotriene D4 receptor antagonistcarbamate ester;
indoles;
N-sulfonylcarboxamide
anti-asthmatic agent;
leukotriene antagonist
reserpinereserpine : An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria.

Reserpine: An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. Reserpine inhibits the uptake of norepinephrine into storage vesicles resulting in depletion of catecholamines and serotonin from central and peripheral axon terminals. It has been used as an antihypertensive and an antipsychotic as well as a research tool, but its adverse effects limit its clinical use.
alkaloid ester;
methyl ester;
yohimban alkaloid
adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic
cephaloridinecefaloridine : A cephalosporin compound having pyridinium-1-ylmethyl and 2-thienylacetamido side-groups. A first-generation semisynthetic derivative of cephalosporin C.

Cephaloridine: A cephalosporin antibiotic.
beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative
antibacterial drug
floxuridinefloxuridine : A pyrimidine 2'-deoxyribonucleoside compound having 5-fluorouracil as the nucleobase; used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract.

Floxuridine: An antineoplastic antimetabolite that is metabolized to fluorouracil when administered by rapid injection; when administered by slow, continuous, intra-arterial infusion, it is converted to floxuridine monophosphate. It has been used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract.
nucleoside analogue;
organofluorine compound;
pyrimidine 2'-deoxyribonucleoside
antimetabolite;
antineoplastic agent;
antiviral drug;
radiosensitizing agent
hydroxyprolinehydroxyproline : A proline derivative that is proline substituted by at least one hydroxy group.

Hydroxyproline: A hydroxylated form of the imino acid proline. A deficiency in ASCORBIC ACID can result in impaired hydroxyproline formation.
4-hydroxyproline;
L-alpha-amino acid zwitterion
human metabolite;
mouse metabolite;
plant metabolite
spironolactonespironolactone : A steroid lactone that is 17alpha-pregn-4-ene-21,17-carbolactone substituted by an oxo group at position 3 and an alpha-acetylsulfanyl group at position 7.

Spironolactone: A potassium sparing diuretic that acts by antagonism of aldosterone in the distal renal tubules. It is used mainly in the treatment of refractory edema in patients with congestive heart failure, nephrotic syndrome, or hepatic cirrhosis. Its effects on the endocrine system are utilized in the treatments of hirsutism and acne but they can lead to adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p827)
3-oxo-Delta(4) steroid;
oxaspiro compound;
steroid lactone;
thioester
aldosterone antagonist;
antihypertensive agent;
diuretic;
environmental contaminant;
xenobiotic
cysteinecysteine;
cysteine zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
serine family amino acid
EC 4.3.1.3 (histidine ammonia-lyase) inhibitor;
flour treatment agent;
human metabolite
penicillin gbenzylpenicillin : A penicillin in which the substituent at position 6 of the penam ring is a phenylacetamido group.

Penicillin G: A penicillin derivative commonly used in the form of its sodium or potassium salts in the treatment of a variety of infections. It is effective against most gram-positive bacteria and against gram-negative cocci. It has also been used as an experimental convulsant because of its actions on GAMMA-AMINOBUTYRIC ACID mediated synaptic transmission.
penicillin;
penicillin allergen
antibacterial drug;
drug allergen;
epitope
alaninealanine : An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2.

Alanine: A non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases IMMUNITY, and provides energy for muscle tissue, BRAIN, and the CENTRAL NERVOUS SYSTEM.
alanine;
alanine zwitterion;
L-alpha-amino acid;
proteinogenic amino acid;
pyruvate family amino acid
EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
fundamental metabolite
serineserine : An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group.

Serine: A non-essential amino acid occurring in natural form as the L-isomer. It is synthesized from GLYCINE or THREONINE. It is involved in the biosynthesis of PURINES; PYRIMIDINES; and other amino acids.
L-alpha-amino acid;
proteinogenic amino acid;
serine;
serine family amino acid;
serine zwitterion
algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite
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
tubocurarineisoquinoline alkaloid : Any alkaloid that has a structure based on an isoquinoline nucleus. They are derived from the amino acids like tyrosine and phenylalanine.

tubocurarine : A benzylisoquinoline alkaloid muscle relaxant which constitutes the active component of curare.

Tubocurarine: A neuromuscular blocker and active ingredient in CURARE; plant based alkaloid of Menispermaceae.
bisbenzylisoquinoline alkaloiddrug allergen;
muscle relaxant;
nicotinic antagonist
tetrabenazine9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one : A benzoquinolizine that is 1,2,3,4,4a,9,10,10a-octahydrophenanthrene in which the carbon at position 10a is replaced by a nitrogen and which is substituted by an isobutyl group at position 2, an oxo group at position 3, and methoxy groups at positions 6 and 7.benzoquinolizine;
cyclic ketone;
tertiary amino compound
cephalothincefalotin : A semisynthetic, first-generation cephalosporin antibiotic with acetoxymethyl and (2-thienylacetyl)nitrilo moieties at positions 3 and 7, respectively, of the core structure. Administered parenterally during surgery and to treat a wide spectrum of blood infections.

Cephalothin: A cephalosporin antibiotic.
azabicycloalkene;
beta-lactam antibiotic allergen;
carboxylic acid;
cephalosporin;
semisynthetic derivative;
thiophenes
antibacterial drug;
antimicrobial agent
levodopaL-dopa : An optically active form of dopa having L-configuration. Used to treat the stiffness, tremors, spasms, and poor muscle control of Parkinson's disease

Levodopa: The naturally occurring form of DIHYDROXYPHENYLALANINE and the immediate precursor of DOPAMINE. Unlike dopamine itself, it can be taken orally and crosses the blood-brain barrier. It is rapidly taken up by dopaminergic neurons and converted to DOPAMINE. It is used for the treatment of PARKINSONIAN DISORDERS and is usually given with agents that inhibit its conversion to dopamine outside of the central nervous system.
amino acid zwitterion;
dopa;
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid
allelochemical;
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
hapten;
human metabolite;
mouse metabolite;
neurotoxin;
plant growth retardant;
plant metabolite;
prodrug
phlorhizinaryl beta-D-glucoside;
dihydrochalcones;
monosaccharide derivative
antioxidant;
plant metabolite
cloxacillincloxacillin : A semisynthetic penicillin antibiotic carrying a 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido group at position 6.

Cloxacillin: A semi-synthetic antibiotic that is a chlorinated derivative of OXACILLIN.
penicillin;
penicillin allergen;
semisynthetic derivative
antibacterial agent;
antibacterial drug
leucineleucine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group.

Leucine: An essential branched-chain amino acid important for hemoglobin formation.
amino acid zwitterion;
L-alpha-amino acid;
leucine;
proteinogenic amino acid;
pyruvate family amino acid
algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
2-aminoisobutyric acid2-aminoisobutyric acid : A rare, non-protein amino acid and end-product of pyrimidine metabolism, excreted in urine and found in some antibiotics of fungal origin. With the exception of a few bacteria, it is non-metabolisable, and therefore used in bioassays.

2-aminoisobutyric acid: RN given refers to unlabeled cpd
2,2-dialkylglycine;
2,2-dialkylglycine zwitterion
oxacillinoxacillin : A penicillin antibiotic carrying a 5-methyl-3-phenylisoxazole-4-carboxamide group at position 6beta.

Oxacillin: An antibiotic similar to FLUCLOXACILLIN used in resistant staphylococci infections.
penicillinantibacterial agent;
antibacterial drug
cycloserineCycloserine: Antibiotic substance produced by Streptomyces garyphalus.

D-cycloserine : A 4-amino-1,2-oxazolidin-3-one that has R configuration. It is an antibiotic produced by Streptomyces garyphalus or S. orchidaceus and is used as part of a multi-drug regimen for the treatment of tuberculosis when resistance to, or toxicity from, primary drugs has developed. An analogue of D-alanine, it interferes with bacterial cell wall synthesis in the cytoplasm by competitive inhibition of L-alanine racemase (which forms D-alanine from L-alanine) and D-alanine--D-alanine ligase (which incorporates D-alanine into the pentapeptide required for peptidoglycan formation and bacterial cell wall synthesis).
4-amino-1,2-oxazolidin-3-one;
organonitrogen heterocyclic antibiotic;
organooxygen heterocyclic antibiotic;
zwitterion
antiinfective agent;
antimetabolite;
antitubercular agent;
metabolite;
NMDA receptor agonist
ampicillinampicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group.

Ampicillin: Semi-synthetic derivative of penicillin that functions as an orally active broad-spectrum antibiotic.
beta-lactam antibiotic;
penicillin;
penicillin allergen
antibacterial drug
isoleucineisoleucine : A 2-amino-3-methylpentanoic acid having either (2R,3R)- or (2S,3S)-configuration.

Isoleucine: An essential branched-chain aliphatic amino acid found in many proteins. It is an isomer of LEUCINE. It is important in hemoglobin synthesis and regulation of blood sugar and energy levels.

L-isoleucine : The L-enantiomer of isoleucine.
aspartate family amino acid;
isoleucine;
L-alpha-amino acid;
L-alpha-amino acid zwitterion;
proteinogenic amino acid
algal metabolite;
Escherichia coli metabolite;
human metabolite;
mouse metabolite;
plant metabolite;
Saccharomyces cerevisiae metabolite
penicillin vPenicillin V: A broad-spectrum penicillin antibiotic used orally in the treatment of mild to moderate infections by susceptible gram-positive organisms.

phenoxymethylpenicillin : A penicillin compound having a 6beta-(phenoxyacetyl)amino side-chain.
penicillin;
penicillin allergen
benzotriazolebenzotriazole : The simplest member of the class of benzotriazoles that consists of a benzene nucleus fused to a 1H-1,2,3-triazole ring.

benzotriazole: inhibitor of atmospheric metal corrosion; also component of motion picture film & Neva brake fluid
benzotriazolesenvironmental contaminant;
xenobiotic
3-aminobenzoic acid3-aminobenzoic acid : An aminobenzoic acid carrying an amino group at position 3.

3-aminobenzoic acid: RN given refers to parent cpd
aminobenzoic acid
piperidineazacycloalkane;
piperidines;
saturated organic heteromonocyclic parent;
secondary amine
base;
catalyst;
human metabolite;
non-polar solvent;
plant metabolite;
protic solvent;
reagent
methylergonovineMethylergonovine: A homolog of ERGONOVINE containing one more CH2 group. (Merck Index, 11th ed)ergoline alkaloid
D-prolineD-alpha-amino acid;
D-alpha-amino acid zwitterion;
proline
mouse metabolite
2h-benzo(a)quinolizin-2-ol, 2-ethyl-1,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-2H-Benzo(a)quinolizin-2-ol, 2-Ethyl-1,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-: Proposed catecholamine depletor.
hemicholinium 3Hemicholinium 3: A potent inhibitor of the high affinity uptake system for CHOLINE. It has less effect on the low affinity uptake system. Since choline is one of the components of ACETYLCHOLINE, treatment with hemicholinium can deplete acetylcholine from cholinergic terminals. Hemicholinium 3 is commonly used as a research tool in animal and in vitro experiments.
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
4-hydroxybutyric acid4-hydroxybutyric acid : A 4-hydroxy monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 is replaced by a hydroxy group.

4-hydroxybutyric acid: was an entry term to Sodium Oxybate (74-98)
4-hydroxy monocarboxylic acid;
hydroxybutyric acid
general anaesthetic;
GHB receptor agonist;
neurotoxin;
sedative
thiazolidinesThiazolidines: Reduced (protonated) form of THIAZOLES. They can be oxidized to THIAZOLIDINEDIONES.thiazolidine
dihydroergotaminedihydroergotamine : Ergotamine in which a single bond replaces the double bond between positions 9 and 10. A semisynthetic ergot alkaloid with weaker oxytocic and vasoconstrictor properties than ergotamine, it is used (as the methanesulfonic or tartaric acid salts) for the treatment of migraine and orthostatic hypotension.

Dihydroergotamine: A 9,10alpha-dihydro derivative of ERGOTAMINE. It is used as a vasoconstrictor, specifically for the therapy of MIGRAINE DISORDERS.
ergot alkaloid;
semisynthetic derivative
dopamine agonist;
non-narcotic analgesic;
serotonergic agonist;
sympatholytic agent;
vasoconstrictor agent
aminopenicillanic acid6-aminopenicillanic acid : A penicillanic acid compound having a (6R)-amino substituent. The active nucleus common to all penicillins, it may be substituted at the 6-amino position to form the semisynthetic penicillins, resulting in a variety of antibacterial and pharmacologic characteristics.

aminopenicillanic acid: RN given refers to parent cpd; structure
amino acid zwitterion;
penicillanic acids
allergen
glycyl-glycyl-glycineglycyl-glycyl-glycine : A tripeptide in which three glycine units are linked via peptide bonds in a linear sequence.tripeptide;
tripeptide zwitterion
glycylglycinedipeptide;
dipeptide zwitterion
human metabolite
levulinic acid4-oxopentanoic acid : An oxopentanoic acid with the oxo group in the 4-position.

levulinic acid: inhibits 5-aminolevulinic acid dehydratase; RN given refers to parent cpd; structure in Merck Index, 9th ed, #5316
oxopentanoic acid;
straight-chain saturated fatty acid
plant metabolite
erythromycinerythromycin : Any of several wide-spectrum macrolide antibiotics obtained from actinomycete Saccharopolyspora erythraea (formerly known as Streptomyces erythraeus).

erythromycin A : An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively.

Erythromycin: A bacteriostatic antibiotic macrolide produced by Streptomyces erythreus. Erythromycin A is considered its major active component. In sensitive organisms, it inhibits protein synthesis by binding to 50S ribosomal subunits. This binding process inhibits peptidyl transferase activity and interferes with translocation of amino acids during translation and assembly of proteins.
cyclic ketone;
erythromycin
digoxigenindigoxigenin : A hydroxy steroid that consists of 5beta-cardanolide having a double bond at the 20(22)-position as well as hydroxy groups at the 3beta-, 12beta- and 14beta-positions. It has been isolated from the plant species of the genus Digitalis.

Digoxigenin: 3 beta,12 beta,14-Trihydroxy-5 beta-card-20(22)-enolide. A cardenolide which is the aglycon of digoxin. Can be obtained by hydrolysis of digoxin or from Digitalis orientalis L. and Digitalis lanata Ehrh.
12beta-hydroxy steroid;
14beta-hydroxy steroid;
3beta-hydroxy steroid;
3beta-sterol
hapten;
plant metabolite
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
azetidyl-2-carboxylic acid(S)-azetidine-2-carboxylic acid : The (S)-enantiomer of azetidine-2-carboxylic acid.

azetidinecarboxylic acid : A member of the class of azetidines that is azetidine substituted by at least one carboxy group at unspecified position.

azetidyl-2-carboxylic acid: a proline analog (with 4-membered ring in place of 5); a toxic non-protein amino acid that is misincorporated into protein in place of proline; induces nonfunctional heat-shock proteins; inhibits acquired thermotolerance; RN given refers to (L)-isomer; found in beets and Liliaceae
azetidine-2-carboxylic acid
dicloxacillindicloxacillin : A penicillin that is 6-aminopenicillanic acid in which one of the amino hydrogens is replaced by a 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formyl group.

Dicloxacillin: One of the PENICILLINS which is resistant to PENICILLINASE.
dichlorobenzene;
penicillin
antibacterial drug
cyclacillinCyclacillin: A cyclohexylamido analog of PENICILLANIC ACID.penicillinantibacterial drug
floxacillinFloxacillin: Antibiotic analog of CLOXACILLIN.

flucloxacillin : A penicillin compound having a 6beta-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamido] side-chain.
penicillin;
penicillin allergen
antibacterial drug
cephalexincephalexin : A semisynthetic first-generation cephalosporin antibiotic having methyl and beta-(2R)-2-amino-2-phenylacetamido groups at the 3- and 7- of the cephem skeleton, respectively. It is effective against both Gram-negative and Gram-positive organisms, and is used for treatment of infections of the skin, respiratory tract and urinary tract.

Cephalexin: A semisynthetic cephalosporin antibiotic with antimicrobial activity similar to that of CEPHALORIDINE or CEPHALOTHIN, but somewhat less potent. It is effective against both gram-positive and gram-negative organisms.
beta-lactam antibiotic allergen;
cephalosporin;
semisynthetic derivative
antibacterial drug
cephapirincephapirin : A cephalosporin with acetoxymethyl and 2(pyridin-4-ylsulfanyl)acetamido substituents at positions 3 and 7, respectively, of the cephem skeleton. It is used (as its sodium salt) as an antibiotic, being effective against gram-negative and gram-positive organisms.

Cephapirin: Cephalosporin antibiotic, partly plasma-bound, that is effective against gram-negative and gram-positive organisms.
cephalosporinantibacterial drug
pyrrolidineazacycloalkane;
pyrrolidines;
saturated organic heteromonocyclic parent
cefazolincefazolin : A first-generation cephalosporin compound having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and (1H-tetrazol-1-ylacetyl)amino side-groups at positions 3 and 7 respectively.

Cefazolin: A semisynthetic cephalosporin analog with broad-spectrum antibiotic action due to inhibition of bacterial cell wall synthesis. It attains high serum levels and is excreted quickly via the urine.
beta-lactam antibiotic allergen;
cephalosporin;
tetrazoles;
thiadiazoles
antibacterial drug
amoxicillinamoxicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group.

Amoxicillin: A broad-spectrum semisynthetic antibiotic similar to AMPICILLIN except that its resistance to gastric acid permits higher serum levels with oral administration.
penicillin;
penicillin allergen
antibacterial drug
cephradinecephradine : A first-generation cephalosporin antibiotic with a methyl substituent at position 3, and a (2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamido substituent at position 7, of the cephem skeleton.

Cephradine: A semi-synthetic cephalosporin antibiotic.
beta-lactam antibiotic allergen;
cephalosporin
antibacterial drug
methyldopaalpha-methyl-L-dopa : A derivative of L-tyrosine having a methyl group at the alpha-position and an additional hydroxy group at the 3-position on the phenyl ring.

Methyldopa: An alpha-2 adrenergic agonist that has both central and peripheral nervous system effects. Its primary clinical use is as an antihypertensive agent.
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid
alpha-adrenergic agonist;
antihypertensive agent;
hapten;
peripheral nervous system drug;
sympatholytic agent
vecuronium bromidevecuronium bromide : The organic bromide salt of a 5alpha-androstane compound having 3alpha-acetoxy-, 17beta-acetoxy-, 2beta-piperidinino- and 16beta-N-methylpiperidinium substituents.

Vecuronium Bromide: Monoquaternary homolog of PANCURONIUM. A non-depolarizing neuromuscular blocking agent with shorter duration of action than pancuronium. Its lack of significant cardiovascular effects and lack of dependence on good kidney function for elimination as well as its short duration of action and easy reversibility provide advantages over, or alternatives to, other established neuromuscular blocking agents.
organic bromide salt;
quaternary ammonium salt
muscle relaxant;
neuromuscular agent;
nicotinic antagonist
cefmetazolecefmetazole : A second-generation cephalosporin antibiotic having N(1)-methyltetrazol-5-ylthiomethyl, {[(cyanomethyl)sulfanyl]acetyl}amino and methoxy side-groups at positions 3, 7beta and 7alpha respectively of the parent cephem bicyclic structure.

Cefmetazole: A semisynthetic cephamycin antibiotic with a broad spectrum of activity against both gram-positive and gram-negative microorganisms. It has a high rate of efficacy in many types of infection and to date no severe side effects have been noted.
cephalosporinantibacterial drug
n-cyano-n'-(1,1-dimethylpropyl)-n''-(3-pyridinyl)guanidineN-cyano-N'-(1,1-dimethylpropyl)-N''-(3-pyridinyl)guanidine: potassium channel openerpyridines
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
triciribine phosphate
moxalactammoxalactam : A broad-spectrum oxacephem antibiotic in which the oxazine ring is substituted with a tetrazolylthiomethyl group and the azetidinone ring carries methoxy and 2-carboxy-2-(4-hydroxyphenyl)acetamido substituents.

Moxalactam: Broad- spectrum beta-lactam antibiotic similar in structure to the CEPHALOSPORINS except for the substitution of an oxaazabicyclo moiety for the thiaazabicyclo moiety of certain CEPHALOSPORINS. It has been proposed especially for the meningitides because it passes the blood-brain barrier and for anaerobic infections.
cephalosporin;
oxacephem
antibacterial drug
cefadroxil anhydrouscefadroxil : A cephalosporin bearing methyl and (2R)-2-amino-2-(4-hydroxyphenyl)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton.

Cefadroxil: Long-acting, broad-spectrum, water-soluble, CEPHALEXIN derivative.
cephalosporinantibacterial drug
cefaclor anhydrouscefaclor : A cephalosporin bearing chloro and (R)-2-amino-2-phenylacetamido groups at positions 3 and 7, respectively, of the cephem skeleton.

Cefaclor: Semisynthetic, broad-spectrum antibiotic derivative of CEPHALEXIN.
cephalosporinantibacterial drug;
drug allergen
topotecantopotecan : A pyranoindolizinoquinoline used as an antineoplastic agent. It is a derivative of camptothecin and works by binding to the topoisomerase I-DNA complex and preventing religation of these 328 single strand breaks.

Topotecan: An antineoplastic agent used to treat ovarian cancer. It works by inhibiting DNA TOPOISOMERASES, TYPE I.
pyranoindolizinoquinolineantineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor
aripiprazolearipiprazole : An N-arylpiperazine that is piperazine substituted by a 4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl group at position 1 and by a 2,3-dichlorophenyl group at position 4. It is an antipsychotic drug used for the treatment of Schizophrenia, and other mood disorders.

Aripiprazole: A piperazine and quinolone derivative that is used primarily as an antipsychotic agent. It is a partial agonist of SEROTONIN RECEPTOR, 5-HT1A and DOPAMINE D2 RECEPTORS, where it also functions as a post-synaptic antagonist, and an antagonist of SEROTONIN RECEPTOR, 5-HT2A. It is used for the treatment of SCHIZOPHRENIA and BIPOLAR DISORDER, and as an adjunct therapy for the treatment of depression.
aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone
drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist
irinotecancarbamate ester;
delta-lactone;
N-acylpiperidine;
pyranoindolizinoquinoline;
ring assembly;
tertiary alcohol;
tertiary amino compound
antineoplastic agent;
apoptosis inducer;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
prodrug
norvalineL-2-aminopentanoic acid : A 2-aminopentanoic acid that has S-configuration.

norvaline: differs from valine in being 1 carbon longer instead of branched; RN given refers to (L)-isomer; structure
2-aminopentanoic acid;
L-alpha-amino acid zwitterion
bacterial metabolite;
hypoglycemic agent;
neuroprotective agent
reserpic acidreserpic acid: inhibitor of norepinephrine transport into chromaffin vesicle ghosts; RN given refers to (3beta,16beta,17alpha,18beta,20alpha)-isomer parent cpd; structure given in first sourceyohimban alkaloid
telmisartantelmisartan : A member of the class of benzimidazoles used widely in the treatment of hypertension.

Telmisartan: A biphenyl compound and benzimidazole derivative that acts as an angiotensin II type 1 receptor antagonist. It is used in the management of HYPERTENSION.
benzimidazoles;
biphenyls;
carboxybiphenyl
angiotensin receptor antagonist;
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
environmental contaminant;
xenobiotic
guanidinopropionic acid3-guanidinopropanoic acid : A guanidine compound bearing an N-(2-carboxyethyl) substituent. It is a creatine analogue that has been found to decreases plasma glucose levels

guanidinopropionic acid: alters creatine metabolism; structure
guanidines;
zwitterion
hypoglycemic agent
amiloride hydrochlorideamiloride hydrochloride dihydrate : A hydrate that is the dihydrate of amiloride hydrochloride.hydratediuretic;
sodium channel blocker
4-phenylpiperidine
tyrosyltyrosineTyr-Tyr : Tyrosyltyrosine in which each tyrosine residue has L-configuration.

tyrosyltyrosine : A dipeptide comprising tyrosine with a tyrosyl residue attached to the alpha-nitrogen.

tyrosyltyrosine: RN given refers to all-(L)-isomer
tyrosyltyrosineMycoplasma genitalium metabolite
leucyl-glycyl-glycineLeu-Gly-Gly : A tripeptide composed of one L-leucine and two glycine residues joined in sequence.

leucyl-glycyl-glycine: RN given refers to (L-Leu)-isomer
tripeptidemetabolite
D-serineD-alpha-amino acid;
serine;
serine zwitterion
Escherichia coli metabolite;
human metabolite;
NMDA receptor agonist
D-alaninealanine;
alanine zwitterion;
D-alpha-amino acid
EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor;
Escherichia coli metabolite;
human metabolite
D-valineD-valine : The D-enantiomer of valine.D-alpha-amino acid;
D-alpha-amino acid zwitterion;
valine
timoprazoletimoprazole: gastric acid secretion inhibitor
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
glycyl-histidyl-lysineGly-His-Lys : A tripeptide composed of glycine, L-histidine and L-lysine residues joined in sequence.

glycyl-histidyl-lysine: found in human plasma; promotes proliferation of hepatoma cells, lymphocytes & mycoplsma; maintains viability of hepatocytes, eosinophils and macrophages; inhibits growth of glial cells; RN given refers to (L)-isomer
tripeptidechelator;
hepatoprotective agent;
metabolite;
vulnerary
2-(methylamino)isobutyric acidalpha-(methylamino)isobutyric acid : A non-proteinogenic alpha-amino acid that is isobutyric acid in which the alpha-hydrogen has been replaced by a methylamino group.alanine derivative;
alpha-amino acid zwitterion;
non-proteinogenic alpha-amino acid;
secondary amino compound
human urinary metabolite
leucylleucineLeu-Leu : A dipeptide formed from two L-leucine residues.dipeptide;
L-aminoacyl-L-amino acid zwitterion
human metabolite;
Mycoplasma genitalium metabolite
tamifluphosphate salt
leucyl-alanineLeu-Ala : A dipeptide composed of L-leucine and L-alanine joined by a peptide linkage.dipeptidemetabolite
alanylprolinealanylproline: RN given refers to all (L)-isomerdipeptide;
dipeptide zwitterion
metabolite
phenylalanylphenylalanylamide
Trp-TrpTrp-Trp : A dipeptide formed from two L-tryptophan residues.

tryptophyltryptophan: an antigelation agent
dipeptideMycoplasma genitalium metabolite
glycyltryptophanGly-Trp : A dipeptide formed from glycine and L-tryptophan residues.

glycyltryptophan: RN given refers to (L)-isomer
dipeptidemetabolite
glycyltyrosineGly-Tyr : A dipeptide composed of glycine and L-tyrosine joined by a peptide linkage.dipeptidemetabolite
glycylleucineGly-Leu : A dipeptide composed of glycine and L-leucine joined by a peptide linkage.dipeptide;
dipeptide zwitterion
metabolite
alanyltyrosineAla-Tyr : A dipeptide composed of L-alanine and L-tyrosine joined by a peptide linkage.

alanyltyrosine: tyrosine source; RN given refers to (L)-isomer
dipeptidemetabolite
glycyl-l-phenylalanineGly-Phe : A dipeptide formed from glycine and L-phenylalanine residues.

glycylphenylalanine: RN given refers to (DL)-isomer
dipeptide;
dipeptide zwitterion
human metabolite;
metabolite
digoxigenin-bis(digitoxoside)cardenolide glycoside
glycylsarcosineglycylsarcosine : A dipeptide obtained by formal condensation of the carboxy group of glycine with the amino group of sarcosine.dipeptide;
dipeptide zwitterion
thiazolidine-4-carboxylic acid, (r)-isomerl-4-thiazolidinecarboxylic acid: structure in first source

L-thioproline : An optically active version of thioproline having L-configuration.

thioproline : A sulfur-containing amino acid that is proline in which the methylene group at position 4 is replaced by a sulfur atom.
thiazolidinemonocarboxylic acid;
thioproline
geroprotector;
metabolite
alanylphenylalaninealanylphenylalanine: RN given refers to (L-Ala-L-PheAla)-isomerdipeptidemetabolite
prolyl-glycyl-glycineprolyl-glycyl-glycine: structure given in first sourceoligopeptide
tryptophylglycineTrp-Gly : A dipeptide formed from L-tryptophan and glycine residues.dipeptidemetabolite
glycylaspartic acidglycylaspartic acid: RN given refers to (L)-isomerdipeptidemetabolite
n-glycylglutamic acidGly-Glu : A dipeptide formed from glycyl and L-glutamic acid residues.

N-glycylglutamic acid: RN given refers to (L)-isomer
dipeptidemetabolite
histidylglycineHis-Gly : A dipeptide formed from L-histidine and glycine residues.

histidylglycine: RN given refers to all (L)-isomer
dipeptidemetabolite
histidinoalaninehistidinoalanine: cross-linking amino acid in calcified tissue collagen; RN given refers to (L)-isomerdipeptide;
dipeptide zwitterion
metabolite
lobeline(-)-lobeline : An optically active piperidine alkaloid having a 2-oxo-2-phenylethyl substituent at the 2-position and a 2-hydroxy-2-phenylethyl group at the 6-position.aromatic ketone;
piperidine alkaloid;
tertiary amine
nicotinic acetylcholine receptor agonist
valylvalineVal-Val : A dipeptide formed from two L-valine residues.

valylvaline: RN given refers to (L)-isomer
dipeptideMycoplasma genitalium metabolite
fr 139317FR 139317: endothelin receptor A antagonist; structure given in first source
2-((2-dimethylaminobenzyl)sulfinyl)benzimidazole2-((2-dimethylaminobenzyl)sulfinyl)benzimidazole: structure given in first source
valdecoxibisoxazoles;
sulfonamide
antipyretic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
bms 180448BMS 180448: a potassium channel opener with cardioprotective and vasodilator properties; BMS-180426 is enantiomer with no antiischemic activity; structure in first source
gefitinibaromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
epidermal growth factor receptor antagonist
tyrosyl-glycyl-glycineTyr-Gly-Gly : A tripeptide composed of one L-tyrosine and two glycine residues joined in sequence.

tyrosyl-glycyl-glycine: RN given refers to L-isomer; this may not be the same as IMREG-1
tripeptide;
tripeptide zwitterion
metabolite
dihydrotetrabenazinedihydrotetrabenazine: RN given refers to cpd without isomeric designationisoquinolines
vadimezanvadimezan : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 5,6-dimethyl-9-oxoxanthen-4-yl group.monocarboxylic acid;
xanthones
antineoplastic agent
lestaurtinibindolocarbazole
methotrexatedicarboxylic acid;
monocarboxylic acid amide;
pteridines
abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent
glycyl-leucyl-phenylalanineglycyl-leucyl-phenylalanine: an immunostimulatory peptide; RN given refer to all (L)-isomeroligopeptide
lysyllysineLys-Lys : A dipeptide formed from two L-lysine residues.

lysyllysine: RN given refers to (L-Lys)-isomer
dipeptideMycoplasma genitalium metabolite
alanylglutamic acidalanylglutamic acid: RN given refers to (L)-isomer

L-alanyl-L-glutamic acid : A dipeptide consisting of L-glutamic acid having an L-alanyl attached to its alpha-amino group
dipeptide
prolineproline : An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2.

Proline: A non-essential amino acid that is synthesized from GLUTAMIC ACID. It is an essential component of COLLAGEN and is important for proper functioning of joints and tendons.
amino acid zwitterion;
glutamine family amino acid;
L-alpha-amino acid;
proline;
proteinogenic amino acid
algal metabolite;
compatible osmolytes;
Escherichia coli metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
Saccharomyces cerevisiae metabolite
10-propargyl-10-deazaaminopterin10-propargyl-10-deazaaminopterin: structure in first source

pralatrexate : A pteridine that is the N-4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl derivative of L-glutamic acid. Used for treatment of Peripheral T-Cell Lymphoma, an aggressive form of non-Hodgkins lymphoma.
N-acyl-L-glutamic acid;
pteridines;
terminal acetylenic compound
antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor
perifosineammonium betaine;
phospholipid
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
levofloxacinlevofloxacin : An optically active form of ofloxacin having (S)-configuration; an inhibitor of bacterial topoisomerase IV and DNA gyrase.

Levofloxacin: The L-isomer of Ofloxacin.
9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid;
fluoroquinolone antibiotic;
quinolone antibiotic
antibacterial drug;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor
prolylargininePro-Arg : A dipeptide formed from L-proline and L-arginine residues.

prolylarginine: fragment of tuftsin peptide with analgesic action; RN given refers to all L-isomer
dipeptidemetabolite
aspartylglycineAsp-Gly : A dipeptide composed of L-aspartic acid and glycine joined by a peptide linkage.dipeptidemetabolite
cariporidecariporide: a selective sodium-hydrogen exchange subtype 1 inhibitor; structure in first source
vatalanibmonochlorobenzenes;
phthalazines;
pyridines;
secondary amino compound
angiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
arginylarginineArg-Arg : A dipeptide formed from two L-arginine residues.dipeptideMycoplasma genitalium metabolite
prolyl-tyrosinePro-Tyr : A dipeptide formed from L-proline and L-tyrosine residues.

prolyl-tyrosine: structure given in first source
dipeptidemetabolite
rostafuroxinrostafuroxin: structure in first source
ruboxistaurinruboxistaurin: inhibits protein kinase C beta; structure in first source
canertinibmonochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase 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
n-valyltryptophanN-valyltryptophan: RN given refers to (L)-isomerpeptide
enzastaurinindoles;
maleimides
erlotinibaromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound
antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
prolylglutamic acidPro-Glu : A dipeptide formed from L-proline and L-glutamic acid residues.dipeptidemetabolite
lapatinibfurans;
organochlorine compound;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase inhibitor
dabigatrandabigatran : An aromatic amide obtained by formal condensation of the carboxy group of 2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazole-5-carboxylic acid with the secondary amoino group of N-pyridin-2-yl-beta-alanine. The active metabolite of the prodrug dabigatran etexilate, it acts as an anticoagulant which is used for the prevention of stroke and systemic embolism.

Dabigatran: A THROMBIN inhibitor which acts by binding and blocking thrombogenic activity and the prevention of thrombus formation. It is used to reduce the risk of stroke and systemic EMBOLISM in patients with nonvalvular atrial fibrillation.
aromatic amide;
benzimidazoles;
beta-alanine derivative;
carboxamidine;
pyridines
anticoagulant;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
EC 3.4.21.5 (thrombin) 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
cortisone11-oxo steroid;
17alpha-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
human metabolite;
mouse metabolite
noscapine(-)-noscapine : A benzylisoquinoline alkaloid that is 1,2,3,4-tetrahydroisoquinoline which is substituted by a 4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl group at position 1, a methylenedioxy group at positions 6-7 and a methoxy group at position 8. Obtained from plants of the Papaveraceae family, it lacks significant painkilling properties and is primarily used for its antitussive (cough-suppressing) effects.

Noscapine: A naturally occurring opium alkaloid that is a centrally acting antitussive agent.
aromatic ether;
benzylisoquinoline alkaloid;
cyclic acetal;
isobenzofuranone;
organic heterobicyclic compound;
organic heterotricyclic compound;
tertiary amino compound
antineoplastic agent;
antitussive;
apoptosis inducer;
plant metabolite
ritonavirritonavir : An L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.

Ritonavir: An HIV protease inhibitor that works by interfering with the reproductive cycle of HIV. It also inhibits CYTOCHROME P-450 CYP3A.
1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas
antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic
carnosinepolaprezinc: stimulates bone growthamino acid zwitterion;
dipeptide
anticonvulsant;
antineoplastic agent;
antioxidant;
Daphnia magna metabolite;
geroprotector;
human metabolite;
mouse metabolite;
neuroprotective agent
cysteinylglycinecysteinylglycine: RN given refers to (L)-isomer; RN for cpd without isomeric designation not in Chemlne 7/13/83

L-cysteinylglycine : A dipeptide consisting of glycine having an L-cysteinyl attached to its alpha-amino group. It is an intermediate metabolite in glutathione metabolism.
dipeptide;
dipeptide zwitterion
Escherichia coli metabolite;
human metabolite;
Saccharomyces cerevisiae metabolite
glutamyl-glutamic acidGlu-Glu : A dipeptide composed of two L-glutamic acid units joined by a peptide linkage.

glutamyl-glutamic acid: RN given for (L,L)-isomer
dipeptideMycoplasma genitalium metabolite
ouabaincardiac glycoside : Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles.

ouabain : A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus.

Ouabain: A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like DIGITALIS. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-EXCHANGING ATPASE.
11alpha-hydroxy steroid;
14beta-hydroxy steroid;
5beta-hydroxy steroid;
alpha-L-rhamnoside;
cardenolide glycoside;
steroid hormone
anti-arrhythmia drug;
cardiotonic drug;
EC 2.3.3.1 [citrate (Si)-synthase] inhibitor;
EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
ion transport inhibitor;
plant metabolite
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
cefoxitincefoxitin : A semisynthetic cephamycin antibiotic which, in addition to the methoxy group at the 7alpha position, has 2-thienylacetamido and carbamoyloxymethyl side-groups. It is resistant to beta-lactamase.

Cefoxitin: A semisynthetic cephamycin antibiotic resistant to beta-lactamase.
beta-lactam antibiotic allergen;
cephalosporin;
cephamycin;
semisynthetic derivative
antibacterial drug
digitoxindigitoxin : A cardenolide glycoside in which the 3beta-hydroxy group of digitoxigenin carries a 2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl trisaccharide chain.

Digitoxin: A cardiac glycoside sometimes used in place of DIGOXIN. It has a longer half-life than digoxin; toxic effects, which are similar to those of digoxin, are longer lasting. (From Martindale, The Extra Pharmacopoeia, 30th ed, p665)
cardenolide glycosideEC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor
7-aminocephalosporanic acid7beta-aminocephalosporanic acid : The alpha,beta-unsaturated monocarboxylic acid that is the active nucleus for the synthesis of cephalosporins and intermediates.alpha,beta-unsaturated monocarboxylic acid;
amino acid zwitterion
cromakalim1-benzopyran
L-cycloserineL-cycloserine : A 4-amino-1,2-oxazolidin-3-one that has S configuration. An antibiotic isolated from Erwinia uredovora.4-amino-1,2-oxazolidin-3-oneanti-HIV agent;
anticonvulsant;
EC 2.3.1.50 (serine C-palmitoyltransferase) inhibitor
cefamandolecefamandole : A cephalosporin compound having (R)-mandelamido and N-methylthiotetrazole side-groups.

Cefamandole: Semisynthetic wide-spectrum cephalosporin with prolonged action, probably due to beta-lactamase resistance. It is used also as the nafate.
cephalosporin;
semisynthetic derivative
antibacterial drug
aspartyl-aspartic acidAsp-Asp : A dipeptide formed from two L-aspartic acid units.

aspartyl-aspartic acid: do not confuse with cyclo(Asp-Asp)
dipeptideMycoplasma genitalium metabolite
tolfenamic acidtolfenamic acid : An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 3-chloro-2-methylphenyl group. Tolfenamic acid is used specifically for relieving the pain of migraine. It also shows anticancer activity.

tolfenamic acid: structure
aminobenzoic acid;
organochlorine compound;
secondary amino compound
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
EC 2.7.1.33 (pantothenate kinase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug
prolinolprolinol : An amino alcohol formed by reduction of the amino acid proline.

prolinol: RN given refers to cpd without isomeric designation; structure
s 1033(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide
anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
cefsulodincefsulodin : A pyridinium-substituted semi-synthetic, broad-spectrum, cephalosporin antibiotic.

Cefsulodin: A pyridinium-substituted semisynthetic, broad-spectrum antibacterial used especially for Pseudomonas infections in debilitated patients.
cephalosporin;
organosulfonic acid;
primary carboxamide
antibacterial drug
vesamicolpiperidines
lobeline
n-(fluorenyl-9-methoxycarbonyl)leucineN-(fluorenyl-9-methoxycarbonyl)leucine: a leumedin; RN given for (L)-isomer
n-glycylalanineGly-Ala : A dipeptide formed from glycine and L-alanine residues.dipeptidemetabolite
xl147aromatic amine;
benzothiadiazole;
quinoxaline derivative;
sulfonamide
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
digoxindigoxin : A cardenolide glycoside that is digitoxin beta-hydroxylated at C-12. A cardiac glycoside extracted from the foxglove plant, Digitalis lanata, it is used to control ventricular rate in atrial fibrillation and in the management of congestive heart failure with atrial fibrillation, but the margin between toxic and therapeutic doses is small.

Digoxin: A cardiotonic glycoside obtained mainly from Digitalis lanata; it consists of three sugars and the aglycone DIGOXIGENIN. Digoxin has positive inotropic and negative chronotropic activity. It is used to control ventricular rate in ATRIAL FIBRILLATION and in the management of congestive heart failure with atrial fibrillation. Its use in congestive heart failure and sinus rhythm is less certain. The margin between toxic and therapeutic doses is small. (From Martindale, The Extra Pharmacopoeia, 30th ed, p666)
cardenolide glycoside;
steroid saponin
anti-arrhythmia drug;
cardiotonic drug;
EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor;
epitope
maraviroctropane alkaloid
glycylprolineGly-Pro : A dipeptide consisting of L-proline having a glycyl residue attached to its alpha-amino group.dipeptide;
dipeptide zwitterion
metabolite
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
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
glycyllysineGly-Lys : A dipeptide formed from glycine and L-lysine residues.

glycyllysine: RN given refers to (L)-isomer
dipeptidemetabolite
zd 6474CH 331: structure in first sourcearomatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine
antineoplastic agent;
tyrosine kinase inhibitor
trimethionineoligopeptide
seryl-prolineSer-Pro : A dipeptide formed from L-serine and L-proline residues.dipeptidemetabolite
digitoxigenindigitoxigenin : A 5beta-cardenolide that is 5beta-cardanolide with hydroxy substituents at the 3beta- and 14beta-positions and double bond unsaturation at C(20)-C(22).

Digitoxigenin: 3 beta,14-Dihydroxy-5 beta-card-20(22)enolide. A cardenolide which is the aglycon of digitoxin. Synonyms: Cerberigenin; Echujetin; Evonogenin; Thevetigenin.
14beta-hydroxy steroid;
3beta-hydroxy steroid
imd 0354N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxybenzamide: a cardioprotective agent that inhibits IkappaB kinase beta (IKKbeta); structure in first sourcebenzamides
mangostinalpha-mangostin : A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1, 3 and 6, a methoxy group at position 7, an oxo group at position 9 and prenyl groups at positions 2 and 8. Isolated from the stems of Cratoxylum cochinchinense, it exhibits antioxidant, antimicrobial and antitumour activities.

mangostin: xanthone from rind of Garcinia mangostana Linn. fruit
aromatic ether;
phenols;
xanthones
antimicrobial agent;
antineoplastic agent;
antioxidant;
plant metabolite
7432 sceftibuten : A third-generation cephalosporin antibiotic with a [(2Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino substituent at the 7 position of the cephem skeleton. An orally-administered agent, ceftibuten is used as the dihydrate to treat urinary-tract and respiratory-tract infections.

Ceftibuten: A cephalosporin antibacterial agent that is used in the treatment of infections, including urinary-tract and respiratory-tract infections.
cephalosporin;
dicarboxylic acid
antibacterial 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
n-methylalaninemethyl-L-alanine : Any alanine derivative that is L-alanine having one or more methyl groups attached to the amino group.

N-methyl-L-alanine : A methyl-L-alanine in which one of the the amino hydrogen of L-alanine is replaced by a methyl group.

N-methylalanine: RN given refers to parent cpd(DL-Ala)-isomer
amino acid zwitterion;
methyl-L-alanine
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
cefodizimecefodizime : A cephalosporin compound having 5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl}methyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups located at positions 3 and 7 respectively.

cefodizime: RN given refers to (6R-(6alpha,7beta(Z)))-isomer
1,3-thiazoles;
cephalosporin;
oxime O-ether
antibacterial drug;
EC 1.14.18.1 (tyrosinase) inhibitor
cefiximecephalosporinantibacterial drug;
drug allergen
indinavir sulfateIndinavir: A potent and specific HIV protease inhibitor that appears to have good oral bioavailability.dicarboxylic acid diamide;
N-(2-hydroxyethyl)piperazine;
piperazinecarboxamide
HIV protease inhibitor
enalaprilenalapril : A dicarboxylic acid monoester that is ethyl 4-phenylbutanoate in which a hydrogen alpha to the carboxy group is substituted by the amino group of L-alanyl-L-proline (S-configuration).

Enalapril: An angiotensin-converting enzyme inhibitor that is used to treat HYPERTENSION and HEART FAILURE.
dicarboxylic acid monoester;
dipeptide
antihypertensive agent;
EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor;
geroprotector;
prodrug
alanyl-alanyl-alanineAla-Ala-Ala : A tripeptide composed of three L-alanine units joined by peptide linkages.

alanyl-alanyl-alanine: RN given refers to all (L)-isomer
tripeptidemetabolite
cefuroxime3-(carbamoyloxymethyl)cephalosporin;
furans;
oxime O-ether
drug allergen
ceftriaxone1,2,4-triazines;
1,3-thiazoles;
cephalosporin;
oxime O-ether
antibacterial drug;
drug allergen;
EC 3.5.2.6 (beta-lactamase) inhibitor
cefepimecefepime : A cephalosporin bearing (1-methylpyrrolidinium-1-yl)methyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton.

Cefepime: A fourth-generation cephalosporin antibacterial agent that is used in the treatment of infections, including those of the abdomen, urinary tract, respiratory tract, and skin. It is effective against PSEUDOMONAS AERUGINOSA and may also be used in the empiric treatment of FEBRILE NEUTROPENIA.
cephalosporin;
oxime O-ether
antibacterial drug
hr 810cefpirome : A fourth-generation cephalosporin antibiotic having 6,7-dihydro-5H-cyclopenta[b]pyridinium-1-ylmethyl and [(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups located at positions 3 and 7 respectively.

cefpirome: structure in first source
cephalosporin;
cyclopentapyridine
ceftazidimecephalosporin;
oxime O-ether
antibacterial drug;
drug allergen;
EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor
alanylalanineL-alanyl-L-alanine : A dipeptide consisting of two L-alanine units joined by a peptide linkage.dipeptide;
dipeptide zwitterion
Mycoplasma genitalium metabolite
tyrosyl-alanyl-glycinetyrosyl-alanyl-glycine: RN given refers to unlabeled (L-Tyr-D-Ala)-isomer
phenylalanylalaninePhe-Ala : A dipeptide formed from L-phenylalanine and L-alanine residues.

phenylalanylalanine: RN given refers to (L)-isomer
dipeptide;
dipeptide zwitterion
metabolite
acetylalanylalanineacetylalanylalanine: RN given refers to (D)-isomer
alpha-aspartylalaninealpha-aspartylalanine: found in pig brain

Asp-Ala : A dipeptide formed from L-alpha-aspartyl and L-valine residues.
dipeptidemetabolite
vx680N-arylpiperazine
alanyltyrosineTyr-Ala : A dipeptide formed from L-tyrosine and L-alanine residues.dipeptidemetabolite
famotidine1,3-thiazoles;
guanidines;
sulfonamide
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor
cefotaximecefotaxime : A cephalosporin compound having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups.

Cefotaxime: Semisynthetic broad-spectrum cephalosporin.
1,3-thiazoles;
cephalosporin;
oxime O-ether
antibacterial drug;
drug allergen
cefpodoximecarboxylic acid;
cephalosporin
antibacterial drug
cyc 1164-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine: an aurora kinase inhibitor; structure in first source
prolylglycineL-prolylglycine : A dipeptide consisting of glycine having an L-prolyl group attached to its alpha-amino nitrogen.

prolylglycine: RN given refers to (L)-isomer
dipeptide;
dipeptide zwitterion
aspartyllysineAsp-Lys : A dipeptide formed from L-alpha-aspartyl and L-lysine residues.

aspartyllysine: from feces of axenic mice
dipeptidemetabolite
arginyllysineArg-Lys : A dipeptide formed from L-arginyl and L-leucine residues.dipeptidemetabolite
eniporideeniporide: inhibits NHE-1 isoform; structure in first source
zoniporidezoniporide: inhibits sodium-hydrogen exchanger isoform-1 (NHE-1)
bafilomycin a1bafilomycin A1 : The most used of the bafilomycins, a family of toxic macrolide antibiotics derived from Streptomyces griseus.

bafilomycin A1: from Streptomyces griseus; structure given in first source
cyclic hemiketal;
macrolide antibiotic;
oxanes
apoptosis inducer;
autophagy inhibitor;
bacterial metabolite;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor;
ferroptosis inhibitor;
fungicide;
potassium ionophore;
toxin
everolimuscyclic acetal;
cyclic ketone;
ether;
macrolide lactam;
primary alcohol;
secondary alcohol
anticoronaviral agent;
antineoplastic agent;
geroprotector;
immunosuppressive agent;
mTOR inhibitor
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
methampicillinmetampicillin : A penicillin compound having a 6beta-(2R)-2-(methylideneamino)-2-phenylacetamido side-group.

methampicillin: RN given refers to parent cpd(2S-(2alpha,5alpha,6beta(S*)))-isomer
penicillin;
penicillin allergen
temsirolimusmacrolide lactam
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
phenylalanylglycinePhe-Gly : A dipeptide formed from L-phenylalanine and glycine residues.

phenylalanylglycine: RN given refers to (DL)-isomer
dipeptidemetabolite
glutamylalanineGlu-Ala : A dipeptide formed from L-alpha-glutamyl and L-alanine residues.dipeptidemetabolite
phenylalanylphenylalaninePhe-Phe : A dipeptide formed from two L-phenylalanine residues.dipeptide;
L-aminoacyl-L-amino acid zwitterion
human blood serum metabolite;
Mycoplasma genitalium metabolite
histidylhistidinehistidylhistidine: RN given for L-,L-isomerdipeptideMycoplasma genitalium metabolite
phenylalanyl-valineVal-Phe : A dipeptide formed from L-valine and L-phenylalanine residues.dipeptidemetabolite
alanylglycinedipeptide;
dipeptide zwitterion
metabolite
valyltyrosineVal-Tyr : A dipeptide formed from L-valine and L-tyrosine residues.

valyltyrosine: from sardine muscle hydrolyzate
dipeptidemetabolite
lysylglutamic acidLys-Glu : A dipeptide formed from L-lysine and L-glutamic acid residues.

lysylglutamic acid: a geroprotective agent
dipeptidemetabolite
Ala-LysAla-Lys : A dipeptide obtained by formal condensation of the carboxy group of L-alanine with the alpha-amino group of L-lysine.dipeptidemarine metabolite
valyl-valyl-valinepeptide
phenylalanylprolinePhe-Pro : A dipeptide formed from L-phenylalanine and L-proline residues.dipeptidemetabolite
lysylglycineLys-Gly : A dipeptide formed from L-lysine and glycine residues.

lysylglycine: structure in first source
dipeptidemetabolite
glycylhistidineGly-His : A dipeptide composed of glycine and L-histidine joined by a peptide linkage.

glycylhistidine: RN given refers to (L)-isomer
dipeptide;
dipeptide zwitterion
metabolite
isoleucyl-tyrosineIle-Tyr : A dipeptide formed from L-isoleucine and L-tyrosine residues.

isoleucyl-tyrosine: a dipeptide with antihypertensive effect
dipeptidemetabolite
prolyl-serinePro-Ser : A dipeptide formed from L-proline and L-serine residues.dipeptidemetabolite
chlorhexidinechlorhexidine : A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge.

Chlorhexidine: A disinfectant and topical anti-infective agent used also as mouthwash to prevent oral plaque.
biguanides;
monochlorobenzenes
antibacterial agent;
antiinfective agent
av 412
telatinib
y-39983Y-39983: SNJ-1656 is an ophthalmic solution of Y-39983; ROCK (rho kinase) inhibitor, promotes regeneration of crushed axons of retinal ganglion cells; structure in first sourcepyrrolopyridine
cp 5476323-(4-bromo-2,6-difluorobenzyloxy)-5-(3-(4-pyrrolidin-1-ylbutyl)ureido)isothiazole-4-carboxylic acid amide: inhibits vascular endothelial growth factor receptor-2 tyrosine kinase; structure in first source
jbp 485JBP 485: has antihepatitis activity
valyl-prolyl-prolineVal-Pro-Pro : A tripeptide composed of L-valine and two L-proline units joined by peptide linkages.tripeptidemetabolite
bms 191095BMS 191095: a mitochondrial K(ATP) opener; structure in first source
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
sergliflozin etabonatesergliflozin: a hypoglycemic agent that inhibits SGLT2 sodium-glucose transporter; structure in first sourceglycoside
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
prolylvalineVal-Pro : A dipeptide formed from L-valine and L-proline residues.dipeptidemetabolite
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
ripasudilisoquinolines
osi 930OSI 930: inhibits both receptor tyrosine kinase Kit and kinase insert domain receptor; structure in first sourcearomatic amide
sabiporidesabiporide: a NHE-1 inhibitor and a cardioprotective agent; 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
dapagliflozinaromatic ether;
C-glycosyl compound;
monochlorobenzenes
hypoglycemic agent;
sodium-glucose transport protein subtype 2 inhibitor
hmn-214(E)-4-(2-(2-(N-acetyl-N-(4-methoxybenzenesulfonyl)amino)stilbazole)) 1-oxide: an antineoplastic agent; structure in first source
tivozanibN-(2-chloro-4-((6,7-dimethoxy-4-quinolyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)urea: KNR-951 is the HCl, monohydrate salt; an antineoplastic agent; structure in first sourcearomatic ether
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
cediranibaromatic ether
isoleucyl-prolyl-prolineoligopeptide
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
ar c155858AR C155858: an MCT1 inhibitor; structure in first source
binimetinibbinimetinib : A member of the class of benzimidazoles that is 1-methyl-1H-benzimidazole which is substituted at positions 4, 5, and 6 by fluorine, (4-bromo-2-fluorophenyl)nitrilo, and N-(2-hydroxyethoxy)aminocarbonyl groups, respectively. It is a MEK1 and MEK2 inhibitor (IC50= 12 nM). Approved by the FDA for the treatment of patients with unresectable or metastatic melanoma with a BRAF V600E or V600K mutation in combination with encorafenib.benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monofluorobenzenes;
secondary amino compound
antineoplastic agent;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
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
vx 702VX 702: a p38 MAP kinase inhibitorphenylpyridine
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
azd3965AZD3965: a monocarboxylate transporter-1 inhibitor with antineoplastic activity; structure in first source
phakellistatin 2phakellistatin 2: isolated from the marine sponge Phakellia carteri; structure in first source
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
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
lobelanelobelane: structure in first source
azd 7762aromatic amide;
thiophenes
cyclic diadenosine phosphatecyclic di-AMP : A cyclic purine dinucleotide that is the 3',5'-cyclic dimer of AMP.adenyl ribonucleotide;
cyclic purine dinucleotide
Mycoplasma genitalium metabolite
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
isoleucyl-valyl-tyrosineoligopeptide
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
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
(5-(2-methoxy-5-chloro-5-phenyl)furan-2-ylcarbonyl)guanidine(5-(2-methoxy-5-chloro-5-phenyl)furan-2-ylcarbonyl)guanidine: KR-32570 possesses potent cardioprotective effects in perfused rat hearts, and its effects may be mediated by inhibition of NHE-1, preservation of high-energy phosphates, and inhibition of lipid peroxidation
kw 2449KW 2449: has both multikinase inhibitory activity and antineoplastic activity; structure in first source
danusertibpiperazines
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
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
ridaforolimusmacrolide lactam
ch 4987655
6-(5-((cyclopropylamino)carbonyl)-3-fluoro-2-methylphenyl)-n-(2,2-dimethylprpyl)-3-pyridinecarboxamidephenylpyridine
mrk 560MRK 560: a gamma-secretase inhibitor; MRK-560 is the (cis)-isomer; structure in first source
cc-930
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
prolyl-prolinePro-Pro : A dipeptide formed from two L-proline residues.dipeptidehuman urinary metabolite;
Mycoplasma genitalium metabolite
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
osi 906cyclobutanes;
quinolines
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
pf-562,271indoles
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
digitoxigenin monodigitoxosidedigitoxigenin monodigitoxoside: RN given refers to (ribo-3beta,5beta)-isomer
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
evomonosideevomonoside : A cardenolide glycoside consisting of digitoxigenin having an alpha-L-rhamnosyl moiety attached at the O(3)-position.

evomonoside: a cytotoxic cardiac glycoside from Lepidium apetalum; RN refers to (3beta,5beta)-isomer
cardenolide glycoside
benzovesamicolbenzovesamicol: 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
enmd 2076ENMD 2076: an antiangiogenic agent with aurora kinase inhibitory and antineoplastic activities
e 7050aromatic ether
2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)-7-pyrido[2,3-d]pyrimidinonepyrazolopyridine
tak-901
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
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
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
halisulfate 1halisulfate 1: an isocitrate lyase inhibitor sesterterpene sulfate from sponge, Hippospongia sp.; structure in first sourceorganic molecular entitymetabolite
cephapirin sodiumcephapirin sodium : The sodium salt of cephapirin. A first-generation cephalosporin antibiotic, it is effective against gram-negative and gram-positive organisms. Being more resistant to beta-lactamases than penicillins, it is effective agains most staphylococci, though not methicillin-resistant staphylococci.cephalosporin;
organic sodium salt
antibacterial drug
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
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
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
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
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
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
kin-193pyridopyrimidine
mk 2461
bay 869766
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
dabrafenib1,3-thiazoles;
aminopyrimidine;
organofluorine compound;
sulfonamide
anticoronaviral agent;
antineoplastic agent;
B-Raf inhibitor
pki 587gedatolisib: inhibits both phosphatidylinositol 3-kinase and mTOR; structure in first source
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
ribociclibribociclib: inhibits both CDK4 and CDK6
pf 04971729ertugliflozin: structure in first sourcediarylmethane
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
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
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
tetracyclinetetracycline : A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria.

Tetracycline: A naphthacene antibiotic that inhibits AMINO ACYL TRNA binding during protein synthesis.
minocyclineminocycline : A tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5.

Minocycline: A TETRACYCLINE analog, having a 7-dimethylamino and lacking the 5 methyl and hydroxyl groups, which is effective against tetracycline-resistant STAPHYLOCOCCUS infections.
methacyclinemethacycline : A tetracycline that is the 6-methylene analogue of oxytetracycline, obtained by formal dehydration at position 6.

Methacycline: A broad-spectrum semisynthetic antibiotic related to TETRACYCLINE but excreted more slowly and maintaining effective blood levels for a more extended period.
byl719proline derivative
cep-32496agerafenib: inhibitor of RAF family kinases; structure in first source
rociletinibrociletinib: inhibits epidermal growth factor receptor tyrosine kinase activity; structure in first source
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
debio 1347CH5183284: a fibroblast growth factor receptor antagonist; structure in first source
volitinib
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
tenapanor
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
valtrexorganic molecular entity
valacyclovirValacyclovir: A prodrug of acyclovir that is used in the treatment of HERPES ZOSTER and HERPES SIMPLEX VIRUS INFECTION of the skin and mucous membranes, including GENITAL HERPES.L-valyl esterantiviral drug
raltitrexedN-acyl-amino acid
pemetrexedpemetrexed disodium : An organic sodium salt that is the disodium salt of N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid. Inhibits thymidylate synthase (TS), 421 dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT).N-acyl-L-glutamic acid;
pyrrolopyrimidine
antimetabolite;
antineoplastic agent;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
EC 2.1.1.45 (thymidylate synthase) inhibitor;
EC 2.1.2.2 (phosphoribosylglycinamide formyltransferase) inhibitor
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.
bis(3',5')-cyclic diguanylic acidcyclic purine dinucleotide;
guanyl ribonucleotide
immunomodulator;
signalling molecule
cyclic guanosine monophosphate-adenosine monophosphatec-GMP-AMP : A cyclic purine dinucleotide that consists of AMP and GMP units cyclised via 3',5'-linkages.adenyl ribonucleotide;
cyclic purine dinucleotide;
guanyl ribonucleotide
cyclic guanosine monophosphate-adenosine monophosphate2'-3'-cGAMP : A cyclic purine dinucleotide that consists of AMP and GMP units cyclised via 3',5'- and 2',5'-linkages respectively.adenyl ribonucleotide;
cyclic purine dinucleotide;
guanyl ribonucleotide
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