Page last updated: 2024-10-24

leukocyte migration

Definition

Target type: biologicalprocess

The movement of a leukocyte within or between different tissues and organs of the body. [GOC:add, ISBN:0781735149, PMID:14680625, PMID:14708592, PMID:7507411, PMID:8600538]

Leukocyte migration is a complex and essential process that allows white blood cells (leukocytes) to move from the bloodstream into tissues where they are needed to fight infection, inflammation, or tissue repair. This process involves a coordinated interplay of cellular adhesion molecules, chemokines, and signaling pathways.

**1. Margination and Rolling:**
- Leukocytes circulating in the bloodstream normally flow freely in the center of the vessel, away from the vessel wall.
- During inflammation, the endothelial cells lining the blood vessel become activated and express adhesion molecules like selectins.
- These selectins bind weakly to carbohydrate ligands on leukocytes, causing them to slow down and roll along the vessel wall.

**2. Activation and Firm Adhesion:**
- Rolling leukocytes are exposed to chemokines, signaling molecules that attract them to the site of inflammation.
- Chemokines bind to their receptors on leukocytes, triggering intracellular signaling cascades that lead to the activation of integrins, another type of adhesion molecule.
- Activated integrins bind tightly to their ligands, including ICAM-1 and VCAM-1, on the endothelial cells.
- This firm adhesion stops the rolling and anchors the leukocyte to the vessel wall.

**3. Transmigration (Diapedesis):**
- Once firmly attached, leukocytes migrate between endothelial cells, a process called diapedesis.
- This involves the rearrangement of the cytoskeleton and the expression of specific molecules that allow the cell to squeeze through the tight junctions between endothelial cells.

**4. Chemotaxis:**
- After transmigration, leukocytes are guided by chemokines to the site of inflammation or injury.
- They follow a concentration gradient of chemokines, moving towards the area with the highest concentration.

**5. Phagocytosis and Immune Response:**
- At the site of inflammation, leukocytes perform their specific functions:
- Neutrophils, the first responders, phagocytose and kill invading pathogens.
- Macrophages engulf debris and pathogens, and also release signaling molecules to activate other immune cells.
- T lymphocytes recognize and destroy infected cells.

**Overall, leukocyte migration is a precisely regulated process that ensures the delivery of immune cells to sites of infection, inflammation, or tissue damage, allowing the body to mount an effective immune response.**'
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Proteins (21)

ProteinDefinitionTaxonomy
Proto-oncogene tyrosine-protein kinase SrcA proto-oncogene tyrosine-protein kinase Src that is encoded in the genome of human. [PRO:CNA, UniProtKB:P12931]Homo sapiens (human)
Tyrosine-protein kinase LynA tyrosine-protein kinase Lyn that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07948]Homo sapiens (human)
Tyrosine-protein kinase YesA tyrosine-protein kinase Yes that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07947]Homo sapiens (human)
Tyrosine-protein kinase FynA tyrosine-protein kinase Fyn that is encoded in the genome of human. [PRO:CNA, UniProtKB:P06241]Homo sapiens (human)
Tyrosine-protein kinase LckA tyrosine-protein kinase Lck that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Integrin alpha-3An integrin alpha-3 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P26006]Homo sapiens (human)
Integrin beta-7An integrin beta-7 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P26010]Homo sapiens (human)
P-selectin glycoprotein ligand 1A P-selectin glycoprotein ligand 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:Q14242]Homo sapiens (human)
Rho-associated protein kinase 1A Rho-associated protein kinase 1 that is encoded in the genome of human. [PRO:CNA, UniProtKB:Q13464]Homo sapiens (human)
cAMP-specific 3',5'-cyclic phosphodiesterase 4BA 3,5-cyclic-AMP phosphodiesterase 4B that is encoded in the genome of human. [PRO:DNx, UniProtKB:Q07343]Homo sapiens (human)
Proteinase-activated receptor 2A proteinase-activated receptor 2 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P55085]Homo sapiens (human)
Myosin-9A myosin-9 that is encoded in the genome of human. [PRO:DNx, UniProtKB:P35579]Homo sapiens (human)
Adenosine receptor A1An adenosine receptor A1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P30542]Homo sapiens (human)
Proto-oncogene tyrosine-protein kinase SrcA proto-oncogene tyrosine-protein kinase Src that is encoded in the genome of human. [PRO:CNA, UniProtKB:P12931]Homo sapiens (human)
Dopamine beta-hydroxylaseA dopamine beta-hydroxylase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P09172]Homo sapiens (human)
Tyrosine-protein kinase LynA tyrosine-protein kinase Lyn that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07948]Homo sapiens (human)
Tyrosine-protein kinase YesA tyrosine-protein kinase Yes that is encoded in the genome of human. [PRO:DNx, UniProtKB:P07947]Homo sapiens (human)
Tyrosine-protein kinase FynA tyrosine-protein kinase Fyn that is encoded in the genome of human. [PRO:CNA, UniProtKB:P06241]Homo sapiens (human)
Tyrosine-protein kinase LckA tyrosine-protein kinase Lck that is encoded in the genome of human. [PRO:DNx]Homo sapiens (human)
Intercellular adhesion molecule 1An intercellular adhesion molecule 1 that is encoded in the genome of human. [PRO:WCB, UniProtKB:P05362]Homo sapiens (human)
Adenosine deaminaseAn adenosine deaminase that is encoded in the genome of human. [PRO:DNx, UniProtKB:P00813]Homo sapiens (human)

Compounds (667)

CompoundDefinitionClassesRoles
9-ethyladenine
acetic acidacetic acid : A simple monocarboxylic acid containing two carbons.

Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed)
monocarboxylic acidantimicrobial food preservative;
Daphnia magna metabolite;
food acidity regulator;
protic solvent
catecholcatecholsallelochemical;
genotoxin;
plant metabolite
citric acid, anhydrouscitric acid : A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms.

Citric Acid: A key intermediate in metabolism. It is an acid compound found in citrus fruits. The salts of citric acid (citrates) can be used as anticoagulants due to their calcium chelating ability.
tricarboxylic acidantimicrobial agent;
chelator;
food acidity regulator;
fundamental metabolite
4-nitrophenylphosphate4-nitrophenyl phosphate : An aryl phosphate resulting from the mono-esterification of phosphoric acid with 4-nitrophenol.

nitrophenylphosphate: RN given refers to mono(4-nitrophenyl) ester of phosphoric acid
aryl phosphatemouse metabolite
indoleindole;
polycyclic heteroarene
Escherichia coli metabolite
malonic aciddicarboxylic acid : Any carboxylic acid containing two carboxy groups.

malonic acid : An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group.
alpha,omega-dicarboxylic acidhuman metabolite
oxalic acidoxalic acid : An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2.

Oxalic Acid: A strong dicarboxylic acid occurring in many plants and vegetables. It is produced in the body by metabolism of glyoxylic acid or ascorbic acid. It is not metabolized but excreted in the urine. It is used as an analytical reagent and general reducing agent.
alpha,omega-dicarboxylic acidalgal metabolite;
human metabolite;
plant metabolite
phenylacetic acidphenylacetic acid : A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group.benzenes;
monocarboxylic acid;
phenylacetic acids
allergen;
Aspergillus metabolite;
auxin;
EC 6.4.1.1 (pyruvate carboxylase) inhibitor;
Escherichia coli metabolite;
human metabolite;
plant growth retardant;
plant metabolite;
Saccharomyces cerevisiae metabolite;
toxin
phosphoric acidphosphoric acid : A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom.

phosphoric acid: concise etchant is 37% H3PO4
phosphoric acidsalgal metabolite;
fertilizer;
human metabolite;
NMR chemical shift reference compound;
solvent
phthalic acidphthalic acid : A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions.

phthalic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7178
benzenedicarboxylic acidhuman xenobiotic metabolite
pyrogallolbenzenetriol : A triol in which three hydroxy groups are substituted onto a benzene ring.benzenetriol;
phenolic donor
plant metabolite
1,3-dipropyl-8-cyclopentylxanthineDPCPX : An oxopurine that is 7H-xanthine substituted at positions 1 and 3 by propyl groups and at position 8 by a cyclohexyl group.oxopurineadenosine A1 receptor antagonist;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
pd 173074aromatic amine;
biaryl;
dimethoxybenzene;
pyridopyrimidine;
tertiary amino compound;
ureas
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist
3-methylcholanthrene3-methylcholanthrene : A pentacyclic ortho- and peri-fused polycyclic arene consisting of a dihydrocyclopenta[ij]tetraphene ring system with a methyl substituent at the 3-position.

Methylcholanthrene: A carcinogen that is often used in experimental cancer studies.
ortho- and peri-fused polycyclic arenearyl hydrocarbon receptor agonist;
carcinogenic agent
enprofyllineenprofylline : Xanthine bearing a propyl substituent at position 3. A bronchodilator, it is used for the symptomatic treatment of asthma and chronic obstructive pulmonary disease, and in the management of cerebrovascular insufficiency, sickle cell disease, and diabetic neuropathy.oxopurineanti-arrhythmia drug;
anti-asthmatic drug;
bronchodilator agent;
non-steroidal anti-inflammatory drug
cgp 524114,5-dianilinophthalimide : Phthalimide substituted at the 4- and 5-positions by anilino groups.

4,5-dianilinophthalimide: structure given in first source
phthalimidesgeroprotector;
tyrosine kinase inhibitor
8-phenyltheophylline8-phenyltheophylline: purinergic P1 receptor antagonist
rtki cpdaromatic ether;
monochlorobenzenes;
quinazolines
antineoplastic agent;
antiviral agent;
epidermal growth factor receptor antagonist;
geroprotector
tyrphostin 25benzenetriol
theophyllinedimethylxanthineadenosine receptor antagonist;
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
drug metabolite;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
fungal metabolite;
human blood serum metabolite;
immunomodulator;
muscle relaxant;
vasodilator agent
amiodaroneamiodarone : A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias.

Amiodarone: An antianginal and class III antiarrhythmic drug. It increases the duration of ventricular and atrial muscle action by inhibiting POTASSIUM CHANNELS and VOLTAGE-GATED SODIUM CHANNELS. There is a resulting decrease in heart rate and in vascular resistance.
1-benzofurans;
aromatic ketone;
organoiodine compound;
tertiary amino compound
cardiovascular drug
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
benzo(a)pyreneBenzo(a)pyrene: A potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke.

benzo[a]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings.
ortho- and peri-fused polycyclic arenecarcinogenic agent;
mouse metabolite
beta-naphthoflavonebeta-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the f side of flavone.

beta-Naphthoflavone: A polyaromatic hydrocarbon inducer of P4501A1 and P4501A2 cytochromes. (Proc Soc Exp Biol Med 1994 Dec:207(3):302-308)
extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound
aryl hydrocarbon receptor agonist
ro 31-8425
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
caffeinepurine alkaloid;
trimethylxanthine
adenosine A2A receptor antagonist;
adenosine receptor antagonist;
adjuvant;
central nervous system stimulant;
diuretic;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
environmental contaminant;
food additive;
fungal metabolite;
geroprotector;
human blood serum metabolite;
mouse metabolite;
mutagen;
plant metabolite;
psychotropic drug;
ryanodine receptor agonist;
xenobiotic
cgs 159439-chloro-2-(2-furyl)-(1,2,4)triazolo(1,5-c)quinazolin-5-imine: non-xanthine triazoloquinazoline adenosine antagonist

CGS 15943 : A member of the class of triazoloquinazolines that is [1,2,4]triazolo[1,5-c]quinazoline substited at positions 2, 5 and 9 by furan-2-yl, amino and chloro groups respectively. A potent antagonist at adenosine A1 and adenosine A2A receptors.
aromatic amine;
biaryl;
furans;
organochlorine compound;
primary amino compound;
quinazolines;
triazoloquinazoline
adenosine A1 receptor antagonist;
adenosine A2A receptor antagonist;
antineoplastic agent;
central nervous system stimulant
chlorpromazinechlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety.

Chlorpromazine: The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking DOPAMINE RECEPTORS. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup.
organochlorine compound;
phenothiazines;
tertiary amine
anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug
clotrimazoleconazole antifungal drug;
imidazole antifungal drug;
imidazoles;
monochlorobenzenes
antiinfective agent;
environmental contaminant;
xenobiotic
damnacanthaldamnacanthal: structure given in first source; isolated from the stem bark and roots of Morinda lucida; a selective inhibitor of p56(lck) tyrosine kinase activityaldehyde;
monohydroxyanthraquinone
denbufyllinedenbufylline: structure given in first sourceoxopurine
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
ebastineorganic molecular entity
econazole1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 4-chlorobenzyl group.

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

Econazole: An imidazole derivative that is commonly used as a topical antifungal agent.
dichlorobenzene;
ether;
imidazoles;
monochlorobenzenes
9-(2-hydroxy-3-nonyl)adenine9-(2-hydroxy-3-nonyl)adenine: specific inhibitor of adenosine deaminase
ellipticineellipticine : A organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11.indole alkaloid;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound;
polycyclic heteroarene
antineoplastic agent;
plant metabolite
fluphenazineN-alkylpiperazine;
organofluorine compound;
phenothiazines
anticoronaviral agent;
dopaminergic antagonist;
phenothiazine antipsychotic drug
fluoxetinefluoxetine : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder.

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

N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine : An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group.
(trifluoromethyl)benzenes;
aromatic ether;
secondary amino compound
fosfosalfosfosal: reagent for testing the activity of certain enzymesaryl phosphate
fasudilfasudil : An isoquinoline substituted by a (1,4-diazepan-1-yl)sulfonyl group at position 5. It is a Rho-kinase inhibitor and its hydrochloride hydrate form is approved for the treatment of cerebral vasospasm and cerebral ischemia.

fasudil: intracellular calcium antagonist; structure in first source
isoquinolines;
N-sulfonyldiazepane
antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent
hexachlorophenehexachlorophene : An organochlorine compound that is diphenylmethane in which each of the phenyl groups is substituted by chlorines at positions 2, 3, and 5, and by a hydroxy group at position 6. An antiseptic that is effective against Gram-positive organisms, it is used in soaps and creams for the treatment of various skin disorders. It is also used in agriculture as an acaricide and fungicide, but is not approved for such use within the European Union.

Hexachlorophene: A chlorinated bisphenol antiseptic with a bacteriostatic action against Gram-positive organisms, but much less effective against Gram-negative organisms. It is mainly used in soaps and creams and is an ingredient of various preparations used for skin disorders. (From Martindale, The Extra Pharmacopoeia, 30th ed, p797)
bridged diphenyl fungicide;
polyphenol;
trichlorobenzene
acaricide;
antibacterial agent;
antifungal agrochemical;
antiseptic drug
hypericin
ibudilastpyrazolopyridine
amrinoneamrinone : A 3,4'-bipyridine substituted at positions 5 and 6 by an amino group and a keto function respectively. A pyridine phosphodiesterase 3 inhibitor, it is a drug that may improve the prognosis in patients with congestive heart failure.

Amrinone: A positive inotropic cardiotonic (CARDIOTONIC AGENTS) with vasodilator properties, phosphodiesterase 3 inhibitory activity, and the ability to stimulate calcium ion influx into the cardiac cell.
bipyridinesEC 3.1.4.* (phosphoric diester hydrolase) inhibitor
indirubin-3'-monoximeindirubin-3'-monoxime : A member of the class of biindoles that is indirubin in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime.

indirubin-3'-monoxime: has antiangiogenic activity
iodoquinoliodoquinol : A monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 are replaced by iodine. It is considered the drug of choice for treating asymptomatic or moderate forms of amoebiasis.

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

3-isobutyl-1-methylxanthine : An oxopurine that is xanthine which is substituted at positions 1 and 3 by methyl and isobutyl groups, respectively.
3-isobutyl-1-methylxanthine
itraconazolepiperazines
4-(4'-hydroxyphenyl)-amino-6,7-dimethoxyquinazolineWHI P131: a quinazoline derivative, inhibitor of glioblastoma cell adhesion and migration
1-(2-naphthalenyl)-2-propen-1-onenaphthalenes
nsc 664704kenpaullone : An indolobenzazepine that is paullone in which the hydrogen at position 9 is replaced by a bromo substituent. It is an ATP-competitive inhibitor of cyclin-dependent kinases (CDKs) and glycogen synthase kinase 3beta (GSK3beta).

kenpaullone: inhibits CDK1/cyclin B; structure in first source
indolobenzazepine;
lactam;
organobromine compound
cardioprotective agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
geroprotector
lavendustin alavendustin A: from Streptomyces griseolavendus; structure given in first sourcearomatic amine
2-hydroxy-5-(2,5-dihydrobenzyl)aminobenzoic acidaromatic amine
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
mebendazolemebendazole : A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5.

Mebendazole: A benzimidazole that acts by interfering with CARBOHYDRATE METABOLISM and inhibiting polymerization of MICROTUBULES.
aromatic ketone;
benzimidazoles;
carbamate ester
antinematodal drug;
microtubule-destabilising agent;
tubulin modulator
nocodazolearomatic ketone;
benzimidazoles;
carbamate ester;
thiophenes
antimitotic;
antineoplastic agent;
microtubule-destabilising agent;
tubulin modulator
miconazole1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 2,4-dichlorobenzyl group.

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

Miconazole: An imidazole antifungal agent that is used topically and by intravenous infusion.
dichlorobenzene;
ether;
imidazoles
milrinonebipyridines;
nitrile;
pyridone
cardiotonic drug;
EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor;
platelet aggregation inhibitor;
vasodilator agent
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
ml 7ML-7 : An N-sulfonyldiazepane resullting from the formal condensation of 5-iodo-1-naphthylsulfonic acid with one of the nitrogens of 1,4-diazepane. It is a selective inhibitor of myosin light chain kinase (EC 2.7.11.18).N-sulfonyldiazepane;
organoiodine compound
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor
n 0840N(6)-cyclopentyl-9-methyladenine: selective, orally active A(1) adenosine receptor antagonist
niclosamideniclosamide : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-chlorosalicylic acid with the amino group of 2-chloro-4-nitroaniline. It is an oral anthelmintic drug approved for use against tapeworm infections.

Niclosamide: An antihelmintic that is active against most tapeworms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p48)
benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide
anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor
nifedipineNifedipine: A potent vasodilator agent with calcium antagonistic action. It is a useful anti-anginal agent that also lowers blood pressure.C-nitro compound;
dihydropyridine;
methyl ester
calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
olomoucineolomoucine : A 9H-purine that is substituted by a (2-hydroxyethyl)nitrilo, benzylnitrilo and a methyl group at positions 2,6 and 9, respectively. It is a cyclin-dependent kinase inhibitor.

olomoucine: inhibits protein P34CDC2
2,6-diaminopurines;
ethanolamines
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
pd 1530354-((3-bromophenyl)amino)-6,7-dimethoxyquinazoline: structure given in first source

PD-153035 : A member of the class of quinazolines carrying a 3-bromophenylamino substituent at position 4 and two methoxy substituents at positions 6 and 7.
aromatic amine;
aromatic ether;
bromobenzenes;
quinazolines;
secondary amino compound
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
epidermal growth factor receptor antagonist
pd168393PD 168393 : A member of the class of quinazolines carrying bromoanilino and acrylamido substituents at positions 4 and 6 respectively.acrylamides;
bromobenzenes;
quinazolines;
secondary carboxamide;
substituted aniline
epidermal growth factor receptor antagonist
pentoxifyllineoxopurine
perhexilinePerhexiline: 2-(2,2-Dicyclohexylethyl)piperidine. Coronary vasodilator used especially for angina of effort. It may cause neuropathy and hepatitis.piperidinescardiovascular drug
1-NA-PP1pyrazolopyrimidinetyrosine kinase inhibitor
ag 18793-(4-chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine: Fyn kinase inhibitoraromatic amine;
monochlorobenzenes;
pyrazolopyrimidine
beta-adrenergic antagonist;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector
prochlorperazineprochlorperazine : A member of the class of phenothiazines that is 10H-phenothiazine having a chloro substituent at the 2-position and a 3-(4-methylpiperazin-1-yl)propyl group at the N-10 position.

Prochlorperazine: A phenothiazine antipsychotic used principally in the treatment of NAUSEA; VOMITING; and VERTIGO. It is more likely than CHLORPROMAZINE to cause EXTRAPYRAMIDAL DISORDERS. (From Martindale, The Extra Pharmacopoeia, 30th ed, p612)
N-alkylpiperazine;
N-methylpiperazine;
organochlorine compound;
phenothiazines
alpha-adrenergic antagonist;
antiemetic;
cholinergic antagonist;
dopamine receptor D2 antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic
raloxifeneraloxifene : A member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively.1-benzothiophenes;
aromatic ketone;
N-oxyethylpiperidine;
phenols
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator
4-(3-butoxy-4-methoxybenzyl)-2-imidazolidinone4-(3-Butoxy-4-methoxybenzyl)-2-imidazolidinone: Inhibitor of phosphodiesterases.methoxybenzenes
roliprampyrrolidin-2-onesantidepressant;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor
sb 239063SB 239063: structure in first source

SB-239063 : A member of the class of imidazoles carrying 4-hydroxycyclohexyl, 4-fluorophenyl and 2-methoxypyrimidin-4-yl substituents at positions 1, 4 and 5 respectively.
imidazoles
sb 2021904-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole: structure given in first source; inhibits p38 MAP kinaseimidazoles;
organofluorine compound;
phenols;
pyridines
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
imatinibaromatic amine;
benzamides;
N-methylpiperazine;
pyridines;
pyrimidines
antineoplastic agent;
apoptosis inducer;
tyrosine kinase inhibitor
streptonigrinpyridines;
quinolone
antimicrobial agent;
antineoplastic agent
sulconazole1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole : A member of the class of imidazoles that is 1-ethyl-1H-imidazole in which one of the hydrogens of the methyl group is replaced by a (4-chlorobenzyl)sulfanediyl group while a second is replaced by a 2,4-dichlorophenyl group.

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

sulconazole: RN given refers to cpd with unspecified isomeric designation; structure given in first source
dichlorobenzene;
imidazoles;
monochlorobenzenes;
organic sulfide
terfenadineTerfenadine: A selective histamine H1-receptor antagonist devoid of central nervous system depressant activity. The drug was used for ALLERGY but withdrawn due to causing LONG QT SYNDROME.diarylmethane
thalidomide2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione : A dicarboximide that is isoindole-1,3(2H)-dione in which the hydrogen attached to the nitrogen is substituted by a 2,6-dioxopiperidin-3-yl group.

thalidomide : A racemate comprising equimolar amounts of R- and S-thalidomide.

Thalidomide: A piperidinyl isoindole originally introduced as a non-barbiturate hypnotic, but withdrawn from the market due to teratogenic effects. It has been reintroduced and used for a number of immunological and inflammatory disorders. Thalidomide displays immunosuppressive and anti-angiogenic activity. It inhibits release of TUMOR NECROSIS FACTOR-ALPHA from monocytes, and modulates other cytokine action.
phthalimides;
piperidones
thioridazinethioridazine : A phenothiazine derivative having a methylsulfanyl subsitituent at the 2-position and a (1-methylpiperidin-2-yl)ethyl] group at the N-10 position.

Thioridazine: A phenothiazine antipsychotic used in the management of PHYCOSES, including SCHIZOPHRENIA.
phenothiazines;
piperidines
alpha-adrenergic antagonist;
dopaminergic antagonist;
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
first generation antipsychotic;
H1-receptor antagonist;
serotonergic antagonist
tinoridinetinoridine: proposed anti-inflammatory agent; minor descriptor (75-86); on-line & INDEX MEDICUS seach PYRIDINES (75-86)thienopyridine
trequinsintrequinsin: RN given refers to parent cpd; structure given in first sourcepyridopyrimidine
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine: adenosine receptor antagonist
zardaverinezardaverine : A pyridazinone derivative in which pyridazin-3(2H)-one is substituted at C-6 with a 4-(difluoromethoxy)-3-methoxyphenyl group. It is a phosphodiesterase inhibitor, selective for PDE3 and 4.

zardaverine: structure given in first source
organofluorine compound;
pyridazinone
anti-asthmatic drug;
bronchodilator agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
peripheral nervous system drug
triiodothyronine3,3',5-triiodo-L-thyronine : An iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism.

Triiodothyronine: A T3 thyroid hormone normally synthesized and secreted by the thyroid gland in much smaller quantities than thyroxine (T4). Most T3 is derived from peripheral monodeiodination of T4 at the 5' position of the outer ring of the iodothyronine nucleus. The hormone finally delivered and used by the tissues is mainly T3.
2-halophenol;
amino acid zwitterion;
iodophenol;
iodothyronine
human metabolite;
mouse metabolite;
thyroid hormone
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
adenosine monophosphateAdenosine Monophosphate: Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position.adenosine 5'-phosphate;
purine ribonucleoside 5'-monophosphate
adenosine A1 receptor agonist;
cofactor;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
EC 3.1.3.11 (fructose-bisphosphatase) inhibitor;
fundamental metabolite;
micronutrient;
nutraceutical
thiophene-3-carboxylic acidthiophene-3-carboxylic acid: structure in first source
6-phenyl-1,3,5-triazine-2,4-diamine6-phenyl-1,3,5-triazine-2,4-diamine: structure in first source
ergotamineergotamine : A peptide ergot alkaloid that is dihydroergotamine in which a double bond replaces the single bond between positions 9 and 10.

Ergotamine: A vasoconstrictor found in ergot of Central Europe. It is a serotonin agonist that has been used as an oxytocic agent and in the treatment of MIGRAINE DISORDERS.
peptide ergot alkaloidalpha-adrenergic agonist;
mycotoxin;
non-narcotic analgesic;
oxytocic;
serotonergic agonist;
vasoconstrictor agent
1-hydroxyphthalazine1-hydroxyphthalazine: RN given refers to cpd with unspecified locants; do not confuse with cpd phthalazinol RN: 56611-65-5phthalazines
benzethonium chloridebenzethonium chloride : A (synthetic) quaternary ammonium salt that is benzyldimethylamine in which the nitrogen is quaternised by a 2-{2-[p-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl group, with chloride as the counter-ion. An antiseptic and disinfectant, it is active against a broad spectrum of bacteria, fungi, moulds and viruses.aromatic ether;
chloride salt;
quaternary ammonium salt
antibacterial agent;
antifungal agent;
antiseptic drug;
antiviral agent;
disinfectant
sterogenolcetylpyridinium bromide : A pyridinium salt that has N-hexadecylpyridinium as the cation and bromide as the anion.

hexadecylpyridinium bromide: structure in first source
bromide salt;
pyridinium salt
antiseptic drug;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
surfactant
2-chloroadenosine5-chloroformycin A: structure given in first sourcepurine nucleoside
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
indirubin
indigohydroxyindoles
oxycinchophenquinolines
1,4-benzodioxan1,4-benzodioxan: structure in first source
tropolonetropolone : A cyclic ketone that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2. It is a toxin produced by the agricultural pathogen Burkholderia plantarii.

Tropolone: A seven-membered aromatic ring compound. It is structurally related to a number of naturally occurring antifungal compounds (ANTIFUNGAL AGENTS).
alpha-hydroxy ketone;
cyclic ketone;
enol
bacterial metabolite;
fungicide;
toxin
gentian violetcrystal violet : An organic chloride salt that is the monochloride salt of crystal violet cation. It has been used in creams for the topical treatment of bacterial and fungal infections, being effective against some Gram-positive bacteria (notably Staphylococcus species) and some pathogenic fungi (including Candida species) but use declined following reports of animal carcinogenicity. It has also been used for dying wood, silk, and paper, as well as a histological stain.

Gentian Violet: A dye that is a mixture of violet rosanilinis with antibacterial, antifungal, and anthelmintic properties.
organic chloride saltanthelminthic drug;
antibacterial agent;
antifungal agent;
antiseptic drug;
histological dye
trimesic acidbenzene-1,3,5-tricarboxylic acid : A tricarboxylic acid that consists of benzene substituted by carboxy groups at positions 1, 3 and 5.

trimesic acid: RN given refers to parent cpd
benzoic acids;
tricarboxylic acid
1-methylindole1-methylindole: SKATOLE refers to 3-methylindole; RN given refers to parent cpd; structure

methylindole : Any member of the class of indoles carrying one or more methyl substituents.
alpha-naphthoflavonealpha-naphthoflavone : An extended flavonoid resulting from the formal fusion of a benzene ring with the h side of flavone. A synthetic compound, it is an inhibitor of aromatase (EC 1.14.14.14).

alpha-naphthoflavone: inhibits P4501A1 and P4501A2; stimulates some activities of P4503A4
extended flavonoid;
naphtho-gamma-pyrone;
organic heterotricyclic compound
aryl hydrocarbon receptor agonist;
aryl hydrocarbon receptor antagonist;
EC 1.14.14.14 (aromatase) inhibitor
phenylphosphatephenyl phosphate : An aryl phosphate resulting from the mono-esterification of phosphoric acid with phenol.

phenylphosphate: structure given in first source
aryl phosphatemouse metabolite
adenosine 5'-tetraphosphateadenosine 5'-(pentahydrogen tetraphosphate) : A purine ribonucleoside 5'-tetraphosphate having adenine as the nucleobase.adenosine 5'-phosphate;
purine ribonucleoside 5'-tetraphosphate
tribromsalantribromosalicylanilide : A salicylanilide derivative with bromo- substituents at C-3 and C-5 of the salicylate moiety and at C-4 of the anilide moiety.

tribromsalan: germicide; structure
salicylanilides
4-octylphenol4-octylphenol : A member of the class of phenols that is phenol which is substituted at the para- position by an octyl group.

4-octylphenol: xenoestrogen
phenolsmetabolite;
surfactant;
xenoestrogen
4-nitrohippuric acid4-nitrohippuric acid: major metabolite of 4-nitrobenzoic acid
9-benzyladenine
u 0521U 0521: catechol methyltransferase antagonist; structureacetophenones
diadenosine tetraphosphateP(1),P(4)-bis(5'-adenosyl) tetraphosphate : A diadenosyl tetraphosphate compound having the two 5'-adenosyl residues attached at the P(1)- and P(4)-positions.diadenosyl tetraphosphateEscherichia coli metabolite;
mouse metabolite
3-deazaadenosine3-deazaadenosine: RN given refers to parent cpd.
coformycincoformycinsEC 3.5.4.4 (adenosine deaminase) inhibitor
phosphotyrosineO(4)-phospho-L-tyrosine : A non-proteinogenic L-alpha-amino acid that is L-tyrosine phosphorylated at the phenolic hydroxy group.

Phosphotyrosine: An amino acid that occurs in endogenous proteins. Tyrosine phosphorylation and dephosphorylation plays a role in cellular signal transduction and possibly in cell growth control and carcinogenesis.
L-tyrosine derivative;
non-proteinogenic L-alpha-amino acid;
O(4)-phosphotyrosine
Escherichia coli metabolite;
immunogen
1,4-diaminoanthraquinone
8-bromo cyclic adenosine monophosphate8-Br-cAMP : A 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP bearing an additional bromo substituent at position 8 on the adenine ring. An activator of cyclic AMP-dependent protein kinase, but resistant to degradation by cyclic AMP phosphodiesterase.

8-Bromo Cyclic Adenosine Monophosphate: A long-acting derivative of cyclic AMP. It is an activator of cyclic AMP-dependent protein kinase, but resistant to degradation by cyclic AMP phosphodiesterase.
3',5'-cyclic purine nucleotide;
adenyl ribonucleotide;
organobromine compound
antidepressant;
protein kinase agonist
paclitaxelTaxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL).taxane diterpenoid;
tetracyclic diterpenoid
antineoplastic agent;
human metabolite;
metabolite;
microtubule-stabilising agent
dobutaminedobutamine : A catecholamine that is 4-(3-aminobutyl)phenol in which one of the hydrogens attached to the nitrogen is substituted by a 2-(3,4-dihydroxyphenyl)ethyl group. A beta1-adrenergic receptor agonist that has cardiac stimulant action without evoking vasoconstriction or tachycardia, it is used as the hydrochloride to increase the contractility of the heart in the management of acute heart failure.

Dobutamine: A catecholamine derivative with specificity for BETA-1 ADRENERGIC RECEPTORS. It is commonly used as a cardiotonic agent after CARDIAC SURGERY and during DOBUTAMINE STRESS ECHOCARDIOGRAPHY.
catecholamine;
secondary amine
beta-adrenergic agonist;
cardiotonic drug;
sympathomimetic agent
7-hydroxytropolone7-hydroxytropolone: structure
cartazolatecartazolate: structure
ribavirinRebetron: Rebetron is tradename1-ribosyltriazole;
aromatic amide;
monocarboxylic acid amide;
primary carboxamide
anticoronaviral agent;
antiinfective agent;
antimetabolite;
antiviral agent;
EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
carbidopacatechols;
hydrate;
hydrazines;
monocarboxylic acid
antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor
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
5-(3-methylphenoxy)-2(1h)-pyrimidinone5-(3-methylphenoxy)-2(1H)-pyrimidinone: a Lyn kinase activator and antidiabetic agent; structure in first source
aminomebendazoleaminomebendazole: structure in first sourcebenzophenones
mefloquine(-)-(11S,2'R)-erythro-mefloquine : An optically active form of [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol having (-)-(11S,2'R)-erythro-configuration. An antimalarial agent, used in racemic form, which acts as a blood schizonticide; its mechanism of action is unknown.[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanolantimalarial
epirubicinEpirubicin: An anthracycline which is the 4'-epi-isomer of doxorubicin. The compound exerts its antitumor effects by interference with the synthesis and function of DNA.aminoglycoside;
anthracycline;
anthracycline antibiotic;
deoxy hexoside;
monosaccharide derivative;
p-quinones;
primary alpha-hydroxy ketone;
tertiary alpha-hydroxy ketone
antimicrobial agent;
antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
closantelclosantel : A racemate comprising equimolar amounts of (R)- and (S)-clostanel. An anthelmintic, it is used (as the dihydrate of the sodium salt) in veterinary medicine for the treatment of fluke and nematode infections.

closantel: structure

N-{5-chloro-4-[(4-chlorophenyl)(cyano)methyl]-2-methylphenyl}-2-hydroxy-3,5-diiodobenzamide : An aromatic amide resulting from the formal condensation of the carboxy group of 3,5-diiodosalicylic acid with the amino group of aniline substituted at positions 2, 4, and 5 by methyl, (4-chlorophenyl)(cyano)methyl, and methyl groups respectively.
aromatic amide;
monocarboxylic acid amide;
monochlorobenzenes;
nitrile;
organoiodine compound;
phenols
triciribine phosphate
staurosporineindolocarbazole alkaloid;
organic heterooctacyclic compound
apoptosis inducer;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
geroprotector
lovastatinlovastatin : A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom).

Lovastatin: A fungal metabolite isolated from cultures of Aspergillus terreus. The compound is a potent anticholesteremic agent. It inhibits 3-hydroxy-3-methylglutaryl coenzyme A reductase (HYDROXYMETHYLGLUTARYL COA REDUCTASES), which is the rate-limiting enzyme in cholesterol biosynthesis. It also stimulates the production of low-density lipoprotein receptors in the liver.
delta-lactone;
fatty acid ester;
hexahydronaphthalenes;
polyketide;
statin (naturally occurring)
anticholesteremic drug;
antineoplastic agent;
Aspergillus metabolite;
prodrug
enoximoneEnoximone: A selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity that does not cause changes in myocardial oxygen consumption. It is used in patients with CONGESTIVE HEART FAILURE.aromatic ketone
mifepristoneMifepristone: A progestational and glucocorticoid hormone antagonist. Its inhibition of progesterone induces bleeding during the luteal phase and in early pregnancy by releasing endogenous prostaglandins from the endometrium or decidua. As a glucocorticoid receptor antagonist, the drug has been used to treat hypercortisolism in patients with nonpituitary CUSHING SYNDROME.3-oxo-Delta(4) steroid;
acetylenic compound;
tertiary amino compound
abortifacient;
contraceptive drug;
hormone antagonist;
synthetic oral contraceptive
imazodanimazodan: RN & structure given in first source;
adenosinequinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlitadenosines;
purines D-ribonucleoside
analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
chlorfenethazinechlorfenethazine: RN given refers to parent cpd; synonym elroquil refers to HCl; structurephenothiazines
nelfinavirnelfinavir : An aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties.

Nelfinavir: A potent HIV protease inhibitor. It is used in combination with other antiviral drugs in the treatment of HIV in both adults and children.
aryl sulfide;
benzamides;
organic heterobicyclic compound;
phenols;
secondary alcohol;
tertiary amino compound
antineoplastic agent;
HIV protease inhibitor
rolofyllinerolofylline: selective antagonist for adenosine receptors; a cardiovascular agentoxopurine
metrifudil
nebularinenebularine : A purine ribonucleoside that is 9H-purine attached to a beta-D-ribofuranosyl residue at position 9 via a glycosidic (N-glycosyl) linkage.

nebularine: structure
purine ribonucleoside;
purines D-ribonucleoside
fungal metabolite
nitraquazonenitraquazone: structure given in first source
9-methyladenine9-methyladenine : Adenine substituted with a methyl group at position N-9.methyladeninemetabolite
cipamfyllinecipamfylline: a PDE type-4 inhibitoroxopurine
7-methyladenine7-methyladenine : Adenine substituted with a methyl group at position N-7.

7-methyladenine: potential marker for monitoring exposure to methylatingcarcinogens
methyladeninemetabolite
picropodophyllinpicropodophyllin: isolated from American May apple (Podophyllum); inhibits IGF-I autophosphorylation without interfering with tyrosine kinase activity

picropodophyllotoxin : An organic heterotetracyclic compound that has a furonaphthodioxole skeleton bearing 3,4,5-trimethoxyphenyl and hydroxy substituents.
furonaphthodioxole;
lignan;
organic heterotetracyclic compound
antineoplastic agent;
insulin-like growth factor receptor 1 antagonist;
plant metabolite;
tyrosine kinase inhibitor
9-(2,3-dihydroxypropyl)adenine, (s)-isomer
benzylphosphonic acidbenzenes
8-bromoadenine8-bromoadenine: affects DNA repair
ethyl 3-amino-1h-pyrazole-4-carboxylateethyl 3-amino-1H-pyrazole-4-carboxylate: structure in first source
beta-naphthyl phosphate2-naphthyl dihydrogen phosphate : An aryl phosphate resulting from the formal condensation of phosphoric acid with 1 mol eq. of 2-naphthol. It is a substrate for phosphatase.

beta-naphthyl phosphate: substrate for bovine kidney acid phosphatase
aryl phosphatechromogenic compound
5-aminoindazole
8-((4-chlorophenyl)thio)cyclic-3',5'-amp8-((4-chlorophenyl)thio)cyclic-3',5'-AMP: lowers cAMP in heart & fat cells; cAMP-dependent kinase inhibitor

8-(4-chlorophenylthio)-cAMP : A 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP in which the hydrogen at position 2 on the purine fragment is replaced by a 4-chlorophenylthio group.
3',5'-cyclic purine nucleotide;
adenyl ribonucleotide;
aryl sulfide;
organochlorine compound
protein kinase agonist
n(6)-benzyladenosineN(6)-benzyladenosine: RN given refers to parent cpd
5-methylcytidinemethylcytidine
phenylisopropyladenosinearomatic amine;
benzenes;
hydrocarbyladenosine;
purine nucleoside;
secondary amino compound
adenosine A1 receptor agonist;
neuroprotective agent
8-thio-benzyl cyclic amp8-thio-benzyl cyclic AMP: RN given refers to parent cpd
5'-n-methylcarboxamideadenosine5'-N-methylcarboxamideadenosine: RN given refers to (beta-D)-isomer
8-chloro-cyclic adenosine monophosphate
7-amino-4-trifluoromethylcoumarincoumarin 151: structure in first source7-aminocoumarinsfluorochrome
n(6)-phenyladenosinepurine nucleoside
n-methyladenosineN-methyladenosine: is a inhibitor of cell differentiation

N(6)-methyladenosine : A methyladenosine compound with one methyl group attached to N(6) of the adenine nucleobase.
methyladenosine
2'-o-methyladenosinecordysinin B : A member of the class of adenosines that is adenosine in which the hydroxy group at position 2' is replaced by a methoxy group. It has been isolated from the mycelia of Cordyceps sinensis.adenosines;
ether
fungal metabolite
u 74006ftirilazad: a lazaroid; potent inhibitor of iron-dependent lipid peroxidation; has shown excellent activity in in vivo models of experimental central nervous system trauma & ischemia; structure given in first source; tradename Freedoxcorticosteroid hormone
arginyl-glycyl-aspartyl-serinearginyl-glycyl-aspartyl-serine: corresponds to cell attachment site of fibronectin; located near carboxyl-terminal region of alpha-chain of fibrinogen; inhibits platelet aggregation & fibrinogen binding to activated platelets
triptolidediterpenoid;
epoxide;
gamma-lactam;
organic heteroheptacyclic compound
antispermatogenic agent;
plant metabolite
tadalafilbenzodioxoles;
pyrazinopyridoindole
EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
liquiritigenin4',7-dihydroxyflavanone : A dihydroxyflavanone in which the two hydroxy substituents are located at positions 4' and 7.

liquiritigenin : A dihydroxyflavanone compound having the two hydroxy substituents at the 4'- and 7-positions. Isolated from the root of Glycyrrhizae uralensis, it is a selective agonist for oestrogen receptor beta.

liquiritigenin: structure given in first source; isolated from Pterocarpus marsupium
4',7-dihydroxyflavanonehormone agonist;
plant metabolite
4-phenylpyrrolidone-2
pd 81723PD 81723: adenosine binding enhancer; structure given in first source
gefitinibaromatic ether;
monochlorobenzenes;
monofluorobenzenes;
morpholines;
quinazolines;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
epidermal growth factor receptor antagonist
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine3-iodobenzyl-5'-N-methylcarboxamidoadenosine : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and one of the hydrogens of the exocyclic amino function is substituted by a 3-iodobenzyl group.

N(6)-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine: structure given in first source; a selective A(3) adenosine receptor agonist
adenosines;
monocarboxylic acid amide;
organoiodine compound
adenosine A3 receptor agonist
2-chloro-n(6)cyclopentyladenosine2-chloro-N(6)cyclopentyladenosine: highly selective agonist at A1 adenosine receptors
4'-amino-6-hydroxyflavone4'-amino-6-hydroxyflavone: a p53/56(lyn) inhibitor; structure given in first sourceflavones
adenosine amine congeneradenosine amine congener: a highly potent & selective adenosine A1 receptor agonist
8-(4-carboxymethyloxy)phenyl-1,3-dipropylxanthine8-(4-carboxymethyloxy)phenyl-1,3-dipropylxanthine: used to localize adenosine receptors in the brain
lestaurtinibindolocarbazole
cdp 840
7-bromoeudistomine d7-bromoeudistomine D: inducer of calcium release from fragmented sarcoplasmic reticulum
3,7-dihydroxytropolone3,7-dihydroxytropolone : A cyclic ketone that is tropolone in which the hydrogens at positions 3 and 7 are substituted by hydroxy groups. It is isolated from the soil bacterium Streptomyces tropolofaciens strain K611-97.

3,7-dihydroxytropolone: from Streptomyces tropolofaciens; active against B16 melanoma; structure given in first source
alpha-hydroxy ketone;
cyclic ketone;
enol;
triol
antineoplastic agent;
bacterial metabolite
(hydroxy-2-naphthalenylmethyl)phosphonic acid(hydroxy-2-naphthalenylmethyl)phosphonic acid: a protein-tyrosine kinase inhibitor; structure given in first source
7-benzylamino-6-chloro-2-piperazino-4-pyrrolidinopteridine7-benzylamino-6-chloro-2-piperazino-4-pyrrolidinopteridine: inibits growth of B16 melanoma & MCF-7 mammary carcinoma cells
kfm 19KFM 19: a potential cognitive enhancer and a selective adenosine A1 receptor antagonist
8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine8-cyclopentyl-3-(3-((4-(fluorosulfonyl)benzoyl)oxy)propyl)-1-propylxanthine: structure given in first source
2-bromohippuric acid
perifosineammonium betaine;
phospholipid
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
9-(2-hydroxy-3-nonyl)adenine(2R,3S)-EHNA : EHNA of absolute configuration 2R,3S. Selective inhibitor of cGMP-stimulated phosphodiesterase (PDE2) (IC50 = 0.8 - 4 mM). Also a potent inhibitor of adenosine deaminase.EHNAEC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
EC 3.5.4.4 (adenosine deaminase) inhibitor
9-(2-hydroxy-3-nonyl)adenine(2S,3R)-EHNA : EHNA of absolute configuration 2S,3R.EHNA
cilomilastmethoxybenzenes
ptk 787vatalanib succinate : A succinate salt obtained by combining vatalanib with one molar equivalent of succinic acid. It is a multi-targeted tyrosine kinase inhibitor for all isoforms of VEGFR, PDGFR and c-Kit.succinate saltangiogenesis inhibitor;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
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
3,3',4,5'-tetrahydroxybibenzyl3,3',4,5'-tetrahydroxybibenzyl: from Cassia garrettiana; structure given in first source
ruboxistaurinruboxistaurin: inhibits protein kinase C beta; structure in first source
rp 73401piclamilast : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 3-(cyclopentyloxy)-4-methoxybenzoic acid with the primary amino group of 3,5-dichloropyridin-4-amine.

piclamilast: an antiasthmatic agent and phosphodiesterase 4 inhibitor; structure in first source
aromatic ether;
benzamides;
chloropyridine;
monocarboxylic acid amide
anti-asthmatic drug;
anti-inflammatory agent;
bronchodilator agent;
phosphodiesterase IV inhibitor
moracin cbenzofurans
canertinibmonochlorobenzenes;
morpholines;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase inhibitor
birb 796aromatic ether;
morpholines;
naphthalenes;
pyrazoles;
ureas
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
immunomodulator
(+)-rolipram(+)-rolipram : The (S)-enantiomer of rolipram.rolipram
tecadenosontecadenoson: an A1 adenosine receptor agonist
1-deazaadenosine1-deazaadenosine: inhibits nucleic acid & protein synthesis; structure given in first source
cyc 202seliciclib : 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors.2,6-diaminopurinesantiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
n(6)-benzyl-cyclic adenosine 5'-monophosphate
fasudil hydrochloridefasudil hydrochloride : A hydrochloride obtained by reaction of fasudil with one equivalent of hydrochloric acid.hydrochlorideantihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
neuroprotective agent;
nootropic agent;
vasodilator agent
sb 203580imidazoles;
monofluorobenzenes;
pyridines;
sulfoxide
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector;
Hsp90 inhibitor;
neuroprotective agent
enzastaurinindoles;
maleimides
zm 241385ZM 241385: a high affinity radioligand selective for the A2a adenosine receptordiamino-1,3,5-triazine
sch 58261triazolopyrimidines
erlotinibaromatic ether;
quinazolines;
secondary amino compound;
terminal acetylenic compound
antineoplastic agent;
epidermal growth factor receptor antagonist;
protein kinase inhibitor
betulinan abetulinan A: a lipid peroxidation inhibitor; from Lenzites betulina; structure given in first source
moracin mmoracin M: has been isolated from Morus alba L.; structure in first sourcebenzofurans
lapatinibfurans;
organochlorine compound;
organofluorine compound;
quinazolines
antineoplastic agent;
tyrosine kinase inhibitor
2-(4-morpholinoanilino)-6-cyclohexylaminopurine2-(4-morpholinoanilino)-6-cyclohexylaminopurine: structure in first sourcemorpholines;
purines;
secondary amino compound;
tertiary amino compound
adenosine A3 receptor antagonist;
antineoplastic agent;
Aurora kinase inhibitor;
cell dedifferentiation agent
sorafenib(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
phenylureas;
pyridinecarboxamide
angiogenesis inhibitor;
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
ferroptosis inducer;
tyrosine kinase inhibitor
mesembrenonemesembrenone: a psychoactive compound isolated from Sceletium tortuosum; structure in first sourcepyrrolidines
regadenosonpurine nucleoside
estradiol 3-benzoate17beta-estradiol 3-benzoate : A benzoate ester resulting from the formal condensation of benzoic acid with the phenolic hydroxy group of 17beta-estradiol.17beta-hydroxy steroid;
benzoate ester
estrogen receptor agonist;
xenoestrogen
4'-hydroxyflavone4'-hydroxyflavone: structure in first source
mrs 10673,6-dichloro-2'-isopropyloxy-4'-methylflavone: structure in first source
3',4',5'-trimethoxyflavone3',4',5'-trimethoxyflavone: structure in first sourceether;
flavonoids
7-methoxycoumarin-4-acetic acidmonocarboxylic acidfluorochrome
mrs 12209-chloro-2-(2-furyl)-5-phenylacetylamino(1,2,4)triazolo(1,5-c)quinazoline: structure in first sourcequinazolines
pentostatinpentostatin : A member of the class of coformycins that is coformycin in which the hydroxy group at position 2' is replaced with a hydrogen. It is a drug used for the treatment of hairy cell leukaemia.

Pentostatin: A potent inhibitor of ADENOSINE DEAMINASE. The drug induces APOPTOSIS of LYMPHOCYTES, and is used in the treatment of many lymphoproliferative malignancies, particularly HAIRY CELL LEUKEMIA. It is also synergistic with some other antineoplastic agents and has immunosuppressive activity.
coformycinsantimetabolite;
antineoplastic agent;
Aspergillus metabolite;
bacterial metabolite;
EC 3.5.4.4 (adenosine deaminase) inhibitor
terconazole(2R,4S)-terconazole : A 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine in which positions 2 and 4 of the 1,3-dioxolane moiety have R and S configuration, respectively.

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

terconazole: structure & RN for (cis)-isomer from first source
1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine
hematoxylinhaematoxylin : An organic heterotetracyclic compound 7,11b-dihydroindeno[2,1-c]chromene carrying five hydroxy substituents at positions 3, 4, 6a, 9 and 10. The most important and most used dye in histology, histochemistry, histopathology and in cytology.haematoxylin
resveratroltrans-resveratrol : A resveratrol in which the double bond has E configuration.resveratrolantioxidant;
phytoalexin;
plant metabolite;
quorum sensing inhibitor;
radical scavenger
cocainecocaine : A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca.

Cocaine: An alkaloid ester extracted from the leaves of plants including coca. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse. Cocaine, like amphetamines, acts by multiple mechanisms on brain catecholaminergic neurons; the mechanism of its reinforcing effects is thought to involve inhibition of dopamine uptake.
benzoate ester;
methyl ester;
tertiary amino compound;
tropane alkaloid
adrenergic uptake inhibitor;
central nervous system stimulant;
dopamine uptake inhibitor;
environmental contaminant;
local anaesthetic;
mouse metabolite;
plant metabolite;
serotonin uptake inhibitor;
sodium channel blocker;
sympathomimetic agent;
vasoconstrictor agent;
xenobiotic
pd 173955PD 173955: inhibits src family-selective tyrosine kinase; structure in first sourcearyl sulfide;
dichlorobenzene;
methyl sulfide;
pyridopyrimidine
tyrosine kinase inhibitor
pd 166326PD 166326: a pyrido(2,3-d)pyrimidine src tyrosine kinase inhibitor
y 27632Y 27632: RN given for di-HCl salt; inhibits Rho-associated protein kinase; inhibits calcium sensitization to affect smooth muscle relaxation; structure in first source

Y-27632 : A monocarboxylic acid amide that is trans-[(1R)-1-aminoethyl]cyclohexanecarboxamide in which one of the nitrogens of the aminocarbony group is substituted by a pyridine nucleus. It has been shown to exhibit inhibitory activity against Rho-associated protein kinase (ROCK) enzyme.
aromatic amide
h 1152(S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane : A member of the class of isoquinolines that is the sulfonamide formed by the formal condensation of the sulfo group of 4-methylisoquinoline-5-sulfonic acid with the 1-amino group of (S)-2-methyl-1,4-diazepane.isoquinolines;
N-sulfonyldiazepane
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor
rolipram(-)-rolipram : The (R)-enantiomer of rolipram.rolipram
adenosine-5'-(n-ethylcarboxamide)Adenosine-5'-(N-ethylcarboxamide): A stable adenosine A1 and A2 receptor agonist. Experimentally, it inhibits cAMP and cGMP phosphodiesterase activity.

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

Diethylstilbestrol: A synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed)
olefinic compound;
polyphenol
antifungal agent;
antineoplastic agent;
autophagy inducer;
calcium channel blocker;
carcinogenic agent;
EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor;
EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor;
endocrine disruptor;
xenoestrogen
purvalanol bpurvalanol B: protein kinase inhibitor; structure in first sourcepurvalanolprotein kinase inhibitor
mesoprammesopram: a potent & selective type IV phosphodiesterase inhibitor
roflumilastaromatic ether;
benzamides;
chloropyridine;
cyclopropanes;
organofluorine compound
anti-asthmatic drug;
phosphodiesterase IV inhibitor
purvalanol a6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine: purvalanol A is the (1R)-isomer;purvalanol
wr-142,490(+)-(11R,2'S)-erythro-mefloquine : An optically active form of [2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol having (+)-(11R,2'S)-erythro-configuration. An antimalarial agent, used in racemic form, which acts as a blood schizonticide; its mechanism of action is unknown.[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanolantimalarial
s 1033(trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide
anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
cyclic nucleotide phosphodiesterases, type 4
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanolalkylbenzene
n(6)-cyclopentyladenosine
3,3',4,5'-tetrahydroxystilbene3,3',4,5'-tetrahydroxystilbene: demethyl derivative of isorhapontigenin; structure in first source; a Syk kinase inhibitor; found in heartwood of FABACEAE; inhibitor of photosynthesis in spinach chloroplasts; may be inhibitor of plant growth; RN given refers to (E)-isomer

piceatannol : A stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 4, while the other phenyl group is substituted by hydroxy groups at positions 3 and 5.
catechols;
polyphenol;
resorcinols;
stilbenol
antineoplastic agent;
apoptosis inducer;
geroprotector;
hypoglycemic agent;
plant metabolite;
protein kinase inhibitor;
tyrosine kinase inhibitor
sch-202676SCH-202676: An allosteric modulator of both agonist and antagonist binding to G protein-coupled receptors; structure in first source
5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl estermethoxybenzenes;
substituted aniline
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamidenaphthalenecarboxamide
hc 0300312-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-isopropylphenyl)acetamide: a TRPA1 channel blocker
enclomipheneEnclomiphene: The trans or (E)-isomer of clomiphene.
xl147aromatic amine;
benzothiadiazole;
quinoxaline derivative;
sulfonamide
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
benzotriptbenzotript: anti-gastrinic; active group is amide; structure
tamoxifenstilbenoid;
tertiary amino compound
angiogenesis inhibitor;
antineoplastic agent;
bone density conservation agent;
EC 1.2.3.1 (aldehyde oxidase) inhibitor;
EC 2.7.11.13 (protein kinase C) inhibitor;
estrogen antagonist;
estrogen receptor antagonist;
estrogen receptor modulator
5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamidepurine nucleoside
3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzeneBRL-50481 : A C-nitro compound that is benzene substituted by N,N-dimethylaminosulfonyl, methyl and nitro groups at positions 1, 2 and 5, respectively. It is a phosphodiesterase inhibitor selective for the PDE7 subtype (Ki = 180 nM).C-nitro compound;
sulfonamide;
toluenes
bone density conservation agent;
EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor;
geroprotector
4,5-dihydro-6-(4-(imidazol-1-yl)phenyl)-5-methyl-3(2h)-pyridazinone4,5-dihydro-6-(4-(imidazol-1-yl)phenyl)-5-methyl-3(2H)-pyridazinone: RN & structure given in first source
tetomilast
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
1-(4-hydroxybenzyl)imidazole-2-thiol1-(4-hydroxybenzyl)imidazole-2-thiol: RN & structure given in first source; RN not in Chemline 3/87
fk 838FK 838: an adenosine subtype-1 receptor antagonist; structure given in first source
sf 2370K-252a : A organic heterooctacyclic compound that is a potent inhibitor of protein kinase C and is isolated from Nocardiopsis sp K-252a

SF 2370: indolocarbazole isolated from Actinomadura sp. SF-2370; structure given in first source
bridged compound;
gamma-lactam;
methyl ester;
organic heterooctacyclic compound
antimicrobial agent;
bacterial metabolite;
EC 2.7.11.13 (protein kinase C) inhibitor;
tropomyosin-related kinase B receptor antagonist
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide2-chloro-N(6)-(3-iodobenzyl)adenosine-5'-N-methyluronamide: structure given in first source
tandutinibaromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
piperidines;
quinazolines;
tertiary amino compound
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
vx-745aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine
anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
adenosine-5'-(N-propyl)carboxamideadenosine-5'-(N-propyl)carboxamide : A monocarboxylic acid amide that is the propyl amide of adenosine 5'-carboxylic acid.adenosines;
monocarboxylic acid amide
dasatinibdasatinib (anhydrous) : An aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a 4-(2-hydroxyethyl)piperazin-1-yl group, and in which the carboxylic acid group has been formally condensed with 2-chloro-6-methylaniline to afford the corresponding amide. A multi-targeted kinase inhibitor, it is used, particularly as the monohydrate, for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN).

N-(2-chloro-6-methylphenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)-1,3-thiazole-5-carboxamide: a dasatinib prodrug; structure in first source
1,3-thiazoles;
aminopyrimidine;
monocarboxylic acid amide;
N-(2-hydroxyethyl)piperazine;
N-arylpiperazine;
organochlorine compound;
secondary amino compound;
tertiary amino compound
anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor
ha 1100HA 1100: intracellular calcium antagonist
7-epi-hydroxystaurosporine
zd 6474CH 331: structure in first sourcearomatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine
antineoplastic agent;
tyrosine kinase inhibitor
2-(4-(2-carboxyethyl)phenethylamino)-5'-n-ethylcarboxamidoadenosine2-(4-(2-carboxyethyl)phenethylamino)-5'-N-ethylcarboxamidoadenosine: A2 adenosine receptor agonist; structure given in first source

CGS-21680 : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and the hydrogen at position 2 on the adenine is replaced by a 4-(2-carboxyethyl)phenethylamino group.
adenosines;
dicarboxylic acid monoamide;
monocarboxylic acid
adenosine A2A receptor agonist;
anti-inflammatory agent
gtp 14564pyrazoles;
ring assembly
blisterblebbistatin : A pyrroloquinoline that is 1,2,3,3a-tetrahydro-H-pyrrolo[2,3-b]quinolin-4-one substituted by a hydroxy group at position 3a, a methyl group at position 6 and a phenyl group at position 1. It acts as an inhibitor of ATPase activity of non-muscle myosin II.

blebbistatin: structure in first source
cyclic ketone;
pyrroloquinoline;
tertiary alcohol;
tertiary alpha-hydroxy ketone
inhibitor
mrs 15232,3-diethyl-4,5-dipropyl-6-phenylpyridine-3-thiocarboxylate-5-carboxylate: adenosine A3 receptor antagonist
pd 407824
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1H-imidazol-2-yl)benzamide: a TGF-beta type I receptor kinase activity inhibitorbenzamides;
benzodioxoles;
imidazoles;
pyridines
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
imd 0354N-(3,5-bis(trifluoromethyl)phenyl)-5-chloro-2-hydroxybenzamide: a cardioprotective agent that inhibits IkappaB kinase beta (IKKbeta); structure in first sourcebenzamides
1-tert-butyl-3-naphthalen-1-ylmethyl-1h-pyrazolo(3,4-d)pyrimidin-4-yleminepyrazolopyrimidinetyrosine kinase inhibitor
quercetin7-hydroxyflavonol;
pentahydroxyflavone
antibacterial agent;
antineoplastic agent;
antioxidant;
Aurora kinase inhibitor;
chelator;
EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor;
geroprotector;
phytoestrogen;
plant metabolite;
protein kinase inhibitor;
radical scavenger
luteolin3'-hydroxyflavonoid;
tetrahydroxyflavone
angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
c-Jun N-terminal kinase inhibitor;
EC 2.3.1.85 (fatty acid synthase) inhibitor;
immunomodulator;
nephroprotective agent;
plant metabolite;
radical scavenger;
vascular endothelial growth factor receptor antagonist
pinosylvinpinosylvin: phytoalexin found in pine and eucalyptuspinosylvin
kaempferol7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone
antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite
harmineharmine : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7.

Harmine: Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920's.
harmala alkaloidanti-HIV agent;
EC 1.4.3.4 (monoamine oxidase) inhibitor;
metabolite
genistein7-hydroxyisoflavonesantineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor
montelukastmontelukast: a leukotriene D4 receptor antagonistaliphatic sulfide;
monocarboxylic acid;
quinolines
anti-arrhythmia drug;
anti-asthmatic drug;
leukotriene antagonist
buteinchalcones;
polyphenol
antineoplastic agent;
antioxidant;
EC 1.1.1.21 (aldehyde reductase) inhibitor;
geroprotector;
hypoglycemic agent;
plant metabolite;
radiosensitizing agent;
tyrosine kinase inhibitor
baicaleintrihydroxyflavoneangiogenesis inhibitor;
anti-inflammatory agent;
antibacterial agent;
anticoronaviral agent;
antifungal agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor;
EC 4.1.1.17 (ornithine decarboxylase) inhibitor;
ferroptosis inhibitor;
geroprotector;
hormone antagonist;
plant metabolite;
prostaglandin antagonist;
radical scavenger
norlichexanthonenorlichexanthone : A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 6 and a methyl group at position 8. It has been isolated from Wardomyces anomalus.

norlichexanthone: isolated from fungus P16; structure in first source
polyphenol;
xanthones
antimalarial;
fungal metabolite
morinmorin : A pentahydroxyflavone that is 7-hydroxyflavonol bearing three additional hydroxy substituents at positions 2' 4' and 5.

morin: a light yellowish pigment found in the wood of old fustic (Chlorophora tinctoria)
7-hydroxyflavonol;
pentahydroxyflavone
angiogenesis modulating agent;
anti-inflammatory agent;
antibacterial agent;
antihypertensive agent;
antineoplastic agent;
antioxidant;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
hepatoprotective agent;
metabolite;
neuroprotective agent
pterostilbenediether;
methoxybenzenes;
stilbenol
anti-inflammatory agent;
antineoplastic agent;
antioxidant;
apoptosis inducer;
hypoglycemic agent;
neuroprotective agent;
neurotransmitter;
plant metabolite;
radical scavenger
caffeic acid phenethyl esterphenethyl caffeate : An alkyl caffeate ester in which 2-phenylethyl is the alkyl component.alkyl caffeate esteranti-inflammatory agent;
antibacterial agent;
antineoplastic agent;
antioxidant;
antiviral agent;
immunomodulator;
metabolite;
neuroprotective agent
rosmarinic acid(R)-rosmarinic acid : A stereoisomer of rosmarinic acid having (R)-configuration.

rosmarinic acid : The 1-carboxy-2-(2,4-dihydroxyphenyl)ethyl ester of trans-caffeic acid.

rosmarinic acid: RN given refers to parent cpd; promote OT project
rosmarinic acidgeroprotector;
plant metabolite
salvianolic acid asalvianolic acid A: a nootropic depside from Salvia miltiorrhiziastilbenoid
ellagic acidcatechols;
cyclic ketone;
lactone;
organic heterotetracyclic compound;
polyphenol
antioxidant;
EC 1.14.18.1 (tyrosinase) inhibitor;
EC 2.3.1.5 (arylamine N-acetyltransferase) inhibitor;
EC 2.4.1.1 (glycogen phosphorylase) inhibitor;
EC 2.5.1.18 (glutathione transferase) inhibitor;
EC 2.7.1.127 (inositol-trisphosphate 3-kinase) inhibitor;
EC 2.7.1.151 (inositol-polyphosphate multikinase) inhibitor;
EC 2.7.4.6 (nucleoside-diphosphate kinase) inhibitor;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
food additive;
fungal metabolite;
geroprotector;
plant metabolite;
skin lightening agent
astrogorgiadiolastrogorgiadiol: structure in first sourcesesquiterpenoid
indolidanindolidan: structure given in first source
naloxonenaloxone : A synthetic morphinane alkaloid that is morphinone in which the enone double bond has been reduced to a single bond, the hydrogen at position 14 has been replaced by a hydroxy group, and the methyl group attached to the nitrogen has been replaced by an allyl group. A specific opioid antagonist, it is used (commonly as its hydrochloride salt) to reverse the effects of opioids, both following their use of opioids during surgery and in cases of known or suspected opioid overdose.

Naloxone: A specific opiate antagonist that has no agonist activity. It is a competitive antagonist at mu, delta, and kappa opioid receptors.
morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol
antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist
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
ophiocordinazepinostatin: isolated from Fusarium merismoides; structure in first source; RN assigned by CAS - 63590-19-2 (ophiocordin; azepinostatin is not the same as ophiocordin)
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
su 5402SU 5402: structure given in first source

SU5402 : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 3-(2-carboxyethyl)-4-methyl-1H-pyrrol-2-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1.
su 9516
mre 3008-f20MRE 3008-F20: InChIKey: CJRNHKSLHHWUAB-UHFFFAOYSA-N
istradefyllineoxopurine
osip 339391UCS15A: from Streptomyces; structure in first source
pd 180970PD 180970: inhibits p210(Bcr-Abl) tyrosine kinase; structure in first source
cgp 77675CGP 77675: belongs to class of substituted 5,7-diphenyl-pyrrolo(2,3-d)pyrimidines; structure in first source
pd 166285
psb 1115oxopurine
n-(1-methyl-2-phenylethyl)adenosine, (s)-isomer
su 6656SU 6656: a c-Src kinase inhibitor; used to probe growth signaling; structure in first source

SU6656 : A member of the class of oxindoles that is 3-methyleneoxindole in which the hydrogeh at position 5 has been replaced by a dimethylaminosulfonyl group and in which one of the hydrogens of the methylene group has been replaced by a 4,5,6,7-tetrahydro-indol-2-yl group. It is a specific inhibitor of Src family kinase.
granulatimidegranulatimide: minor alkaloids of the Brazilian ascidian Didemnum; structure in first source
pd 089828PD 089828: structure in first source
pd 166866PD 166866: structure in first source

PD-166866 : A member of the class of pyridopyrimidines that is pyrido[2,3-d]pyrimidine substituted by an amino group at position 2, 3,5-dimethoxyphenyl group at position 6, and by a (tert-butylcarbamoyl)nitrilo group at position 7. It is a selective ATP competitive inhibitor of the human fibroblast growth factor-1 receptor (FGFR1) tyrosine kinase with an IC50 of 52.4 nM.
biaryl;
dimethoxybenzene;
primary arylamine;
pyridopyrimidine;
ureas
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
pd 161570PD 161570: structure in first source
pd-173952
ag 99tyrphostin A46: epidermal growth factor-urogastrone receptor antagonist
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
semaxinibsemaxanib : An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is replaced by a 3,5-dimethylpyrrol-2-yl group.olefinic compound;
oxindoles;
pyrroles
angiogenesis modulating agent;
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
vascular endothelial growth factor receptor antagonist
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
m475271AZM475271: a Src family kinase inhibitor
palbociclibaminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
d-64406D-64406: structure in first sourceindolyl carboxylic acid
jnj-7706621sulfonamide
7-hydroxycoumarin-4-acetic acid7-hydroxycoumarin-4-acetic acid: pH-indicator dye; structure in first source
fosbretabulinstilbenoid
8-(3-chlorostyryl)caffeine8-(3-chlorostyryl)caffeine : Caffeine substituted at its 8-position by an (E)-3-chlorostyryl group.

8-(3-chlorostyryl)caffeine: adenosine antagonist
monochlorobenzenes;
trimethylxanthine
adenosine A2A receptor antagonist;
EC 1.4.3.4 (monoamine oxidase) inhibitor
isoalloxazineisoalloxazine: structurebenzo[g]pteridine-2,4-dione
3,4',5-trimethoxystilbene3,4',5-trimethoxystilbene: structure in first source
enkephalin, ala(2)-mephe(4)-gly(5)-peptide
pd 144795
2-tert-butyl-9-fluoro-3,6-dihydro-7h-benz(h)imidazo(4,5-f)isoquinoline-7-one2-tert-butyl-9-fluoro-1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one : An organic heterotetracyclic compound that is 1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one bearing additional tert-butyl and fluoro substituents at positions 2 and 9 respectively.

2-tert-butyl-9-fluoro-3,6-dihydro-7H-benz(h)imidazo(4,5-f)isoquinoline-7-one: a janus-activated kinase inhibitor
organic heterotetracyclic compound;
organofluorine compound
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
vx680N-arylpiperazine
4,5-diphenyl-2,3-dihydro-1H-pyrazolo[3,4-c]pyridazin-3-onepyridazines;
ring assembly
7-chloro-4-hydroxy-2-phenyl-1,8-naphthyridine
2-((4-pyridyl)methyl)amino-n-(3-(trifluoromethyl)phenyl)benzamide2-((4-pyridyl)methyl)amino-N-(3-(trifluoromethyl)phenyl)benzamide: an antiangiogenic VEGF receptor kinase inhibitor with antineoplastic activity; structure in first source
GSK3-XIIIGSK3-XIII : A member of the class of aromatic amines that is ammonia with two of the hydrogens replaced by 5-methylpyrazol-3-yl and 2-phenylquinazolin-4-yl groups.aromatic amine;
pyrazoles;
quinazolines;
secondary amino compound
EC 2.7.11.26 (tau-protein kinase) inhibitor
cyc 1164-methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine: an aurora kinase inhibitor; structure in first source
ciproxifanaromatic ketone
bw a1433BW A1433: adenosine receptor antagonist
fk 453FK 453: adenosine A1 receptor antagonist; structure given in first source; a new antihypertensive agent with diuretic action in isolated rabbit aorta; FR113452 is the S-(-) enantiomer of FK 453
caftaric acidhydroxycinnamic acid
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
kf 17837
axitinibaryl sulfide;
benzamides;
indazoles;
pyridines
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
gw 1929GW 1929: activates peroxisome proliferator-activated receptor-gamma; structure in first sourcebenzophenones
a 419259
gdp 366GDP 366: an antineoplastic agent; structure in first source
b 43RK-24466 : A member of the class of pyrrolopyrimidines that is 7H-pyrrolo[2,3-d]pyrimidine substituted by amino, 4-phenoxyphenyl, and cyclopentyl groups at positions 4, 5 and 7, respectively. It is a potent inhibitor of Lck that inhibits Lck (64-509) and LckCD isoforms (IC50 of less than 1 and 2 nM, respectively).aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector
gw2974GW2974: quinazoline derivative, which is able to block the activation of both the EGFR and erbB2pyridopyrimidine
mrs 1754oxopurine
cgp 533534,5-bis(4-fluoroanilino)phthalimide: structure in first sourcephthalimides
temsirolimusmacrolide lactam
pd 1843522-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,4-difluorobenzamide: inhibits MAP kinase kinase; structure in first sourceaminobenzoic acid
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
a 770041aromatic amide
c 1368
binodenoson
3,4,4'-trihydroxy-trans-stilbene
5-amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acidorganonitrogen heterocyclic compound;
organosulfur heterocyclic compound
jnj 10198409
sch 351591SCH 351591: a phosphodiesterase 4 inhibitor; structure in first source

SCH-351591 : An aromatic amide resulting from the formal condensation of the carboxy group of 8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid with the primary amino group of 3,5-dichloropyridin-4-amine 1-oxide. It is a potent inhibitor of phosphodiesterase IV (PDE4).
birt 377
atl 146eBMS-068645: structure in first source
av 412
rs 14203RS 14203: a type IV cyclic nucleotide phosphodiesterase inhibitor; structure in first source
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
bimosiamosebimosiamose: a selectin inhibitor
cp 5476323-(4-bromo-2,6-difluorobenzyloxy)-5-(3-(4-pyrrolidin-1-ylbutyl)ureido)isothiazole-4-carboxylic acid amide: inhibits vascular endothelial growth factor receptor-2 tyrosine kinase; structure in first source
bms3455414(2'-aminoethyl)amino-1,8-dimethylimidazo(1,2-a)quinoxaline: structure in first sourcequinoxaline derivative
rwj 68354
lenvatiniblenvatinib : A member of the class of quinolines that is the carboxamide of 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxylic acid. A multi-kinase inhibitor and orphan drug used (as its mesylate salt) for the treatment of various types of thyroid cancer that do not respond to radioiodine.aromatic amide;
aromatic ether;
cyclopropanes;
monocarboxylic acid amide;
monochlorobenzenes;
phenylureas;
quinolines
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist;
orphan drug;
vascular endothelial growth factor receptor antagonist
gw843682x(trifluoromethyl)benzenes
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
gsk 256066
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
seryl-leucyl-isoleucyl-glycyl--arginyl-leucinamideseryl-leucyl-isoleucyl-glycyl--arginyl-leucinamide: a proteinase-activated receptor-2-activating peptide; SL-NH2 is NOT Ser-Leu-NH2 here
4-[(4-methylphenyl)thio]-2-thieno[2,3-c]pyridinecarboxamidearyl sulfide
n(6)-cyclohexyladenosineN(6)-cyclohexyladenosine: structure given in first source; receptors, purinergic P1 agonist
ci 1044CI 1044: inhibits PDE4; structure in first source
a 286982A 286982: inhibits the interaction between leukocyte function-associated antigen-1 and intracellular adhesion molecule-1; structure in first source
px-866PX-866 : An organic heterotetracyclic compound that is obtained from wortmanin via aminolysis of its furan ring by diallyl amine.

PX-866: inhibitor of phosphoinositide-3-kinase signaling with antitumor activity; structure in first source
acetate ester;
delta-lactone;
organic heterotetracyclic compound;
tertiary amino compound
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
l-454,560L-454,560: Phosphodiesterase Inhibitor; structure in first source
st 1535
sb 242235SB 242235: p38 MAP kinase antagonist
ripasudilisoquinolines
osi 930OSI 930: inhibits both receptor tyrosine kinase Kit and kinase insert domain receptor; structure in first sourcearomatic amide
ki 20227
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
t 1032T 1032: a cyclic GMP phosphodiesterase-5 inhibitor; structure in first source
cp 7247142-methoxy-N-(3-(4-((3-methyl-4-((6-methyl-3-pyridinyl)oxy)phenyl)amino)-6-quinazolinyl)-2-propenyl)acetamide: CP-724714 is the ((2E)-isomer, 1:1.5 succinate); structure in first source2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamideantineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
hepatotoxic agent
pi103PI103: pyridofuropyrimidine antineoplastic; a potent inhibitor of class I phosphatidylinositide 3-kinases (PI3K); structure in first sorucearomatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor
n-((1s,trans)-2-hydroxycyclopentyl)adenosineN-((1S,trans)-2-hydroxycyclopentyl)adenosine: structure given in first source; an adenosine A1 receptor agonistpurine nucleoside
hmn-214(E)-4-(2-(2-(N-acetyl-N-(4-methoxybenzenesulfonyl)amino)stilbazole)) 1-oxide: an antineoplastic agent; structure in first source
ct52923CT52923: structure in first source
y 27632, dihydrochloride, (4(r)-trans)-isomer
2-(2-(4-chlorophenyl)ethoxy)adenosine2-(2-(4-chlorophenyl)ethoxy)adenosine: a adenosine A2A receptor agonist
tivozanibN-(2-chloro-4-((6,7-dimethoxy-4-quinolyl)oxy)phenyl)-N'-(5-methyl-3-isoxazolyl)urea: KNR-951 is the HCl, monohydrate salt; an antineoplastic agent; structure in first sourcearomatic ether
tr 14035N-(2,6-dichlorobenzoyl)-4-(2',6'-bismethoxyphenyl)phenylalanine: TR-14035 is the (L)-isomer; an antagonist of both alpha4beta1 and beta7 integrins; structure in first source
hki 272nitrile;
quinolines
antineoplastic agent;
tyrosine kinase inhibitor
tofacitinibtofacitinib : A pyrrolopyrimidine that is pyrrolo[2,3-d]pyrimidine substituted at position 4 by an N-methyl,N-(1-cyanoacetyl-4-methylpiperidin-3-yl)amino moiety. Used as its citrate salt to treat moderately to severely active rheumatoid arthritis.N-acylpiperidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound
antirheumatic drug;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide
cediranibaromatic ether
ap23464AP23464: a potent adenosine 5'-triphosphate (ATP)-based inhibitor of Src and Abl kinases
bay-68-4986
4-n-butyl-1-(4-(2-methylphenyl)-4-oxo-1-butyl)-piperidine hydrogen chloride
bio 1211BIO 1211: integrin alpha4beta1 inhibitor; structure in first source
8-(methylthio)cyclic 3',5'-adenosine monophosphate8-(methylthio)cyclic 3',5'-adenosine monophosphate: structure
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
8-azanebularine8-azanebularine: structure in first source
pazopanibpazopanib : A pyrimidine that is 5-(pyrimidin-2-yl}amino-2-methylbenzenesulfonamide substituted at position 4 by a (2,3-dimethylindazol-6-yl)(methyl)amino group. Used as its hydrochloride salt for treatment of kidney cancer.

pazopanib: a protein kinase inhibitor
aminopyrimidine;
indazoles;
sulfonamide
angiogenesis modulating agent;
antineoplastic agent;
tyrosine kinase inhibitor;
vascular endothelial growth factor receptor antagonist
2-(2-furanyl)-7-(2-(4-(4-(2-methoxyethoxy)phenyl)-1-piperazinyl)ethyl)-7h-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidine-5-amine
azd 6244AZD 6244: a MEK inhibitorbenzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
su 148135-((5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide: has both antineoplastic and antiangiogenic activities; structure in first source
bibw 2992aromatic ether;
enamide;
furans;
monochlorobenzenes;
organofluorine compound;
quinazolines;
secondary carboxamide;
tertiary amino compound
antineoplastic agent;
tyrosine kinase inhibitor
N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamideN-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)biphenyl-4-carboxamide : A member of the class of biphenyls that is the amide obtained by formal condensation of the carboxy group of 2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-4-carboxylic acid with the amino group of 3-cyanoaniline.1,3,4-oxadiazoles;
benzamides;
biphenyls;
nitrile
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
vuf 8504
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
n(6)-(2,2-diphenylethyl)adenosineN(6)-(2,2-diphenylethyl)adenosine: adenosine receptor agonist; structure given in first source
2-furoyl-ligrlo-amide2-furoyl-LIGRLO-amide: a potent and selective proteinase-activated receptor 2 agonist
sk&f 102698
n-cyclopropyl adenosine-5'-carboxamide
tg100-1153,3'-(2,4-diaminopteridine-6,7-diyl)diphenol: for treatment of ischemia reperfusion injury; structure in first sourcepteridines
cc 401CC 401: an anthrapyrazolonepyrazoles;
ring assembly
bms 599626
exel-7647tesevatinib : A member of the class of quinazolines that is quinazoline substituted by (3,4-dichloro-2-fluorophenyl)amino, methoxy, and [(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy groups at positions 4, 6 and 7, respectively. It is a multi-target tyrosine kinase inhibitor of EGFR, ErbB2, KDR, Flt4 and EphB4 and exhibits anti-cancer properties.
volasertibBI 6727: a polo-like kinase inhibitor with broad antitumor activity; structure in first source
pha 665752dichlorobenzene;
enamide;
indolones;
N-acylpyrrolidine;
pyrrolecarboxamide;
secondary carboxamide;
sulfone;
tertiary carboxamide
antineoplastic agent;
c-Met tyrosine kinase inhibitor
l 783277
sch 442416SCH 442416: an adenosine A2A receptor ligandtriazolopyrimidines
PDGF receptor tyrosine kinase inhibitor IIIPDGF receptor tyrosine kinase inhibitor III : An N-arylpiperazine that is piperazine in which the hydrogen attached to the nitrogen at position 1 is replaced by a (4-phenoxyphenyl)aminocarbonyl group, while the hydrogen attached to the nitrogen at position 4 is replaced by a 6,7-dimethoxyquinazolin-4-yl group. It is an inhibitor of tyrosine kinases FLT3, PDGFR and KIT.aromatic ether;
N-arylpiperazine;
N-carbamoylpiperazine;
phenylureas;
quinazolines;
tertiary amino compound
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
baci-imhomodetic cyclic peptide;
polypeptide;
zwitterion
antibacterial agent;
antimicrobial agent
azd 7762aromatic amide;
thiophenes
regorafenib(trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide
antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor
6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)-4-pyrimidinyl]amino]-2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-onemethoxybenzenes;
substituted aniline
brivanibaromatic ether;
diether;
fluoroindole;
pyrrolotriazine;
secondary alcohol
angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
drug metabolite;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
fibroblast growth factor receptor antagonist
mrs 3558
cvt-68833-ethyl-1-propyl-8-(1-(3-trifluoromethylbenzyl)-1H-pyrazol-4-yl)-3,7-dihydropurine-2,6-dione: structure in first source
mp470N-arylpiperazine
rgb 286638
np 031112tideglusib : A member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a naphthalen-1-yl group at position 2 and by a benzyl group at position 4. It is a non-ATP competitive inhibitor of glycogen synthase kinase 3beta (GSK3beta) and has neuroprotective effects. Currently under clinical investigation for the treatment of Alzheimer's disease and progressive supranuclear palsy.

tideglusib: an NSAID and neuroprotective agent
benzenes;
naphthalenes;
thiadiazolidine
anti-inflammatory agent;
apoptosis inducer;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
neuroprotective agent
at 75194-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-pyrazole-3-carboxamide : A member of the class of pryrazoles that is 4-amino-1H-pyrazole-3-carboxylic acid in which the primary amino group has been acylated by a 2,6-dichlorobenzoyl group and in which the carboxylic acid has been converted into a carboxamide by formal condensation with the primary amino group of 4-aminopiperidine.dichlorobenzene;
piperidines;
pyrazoles;
secondary carboxamide
antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
bms-690514
bi 2536
N-(6-fluoro-1H-indazol-5-yl)-6-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridine-5-carboxamide(trifluoromethyl)benzenes
inno-406biaryl
compound 26
nvp-ast487NVP-AST487: antineoplastic; a RET kinase inhibitor that blocks growth and calcitonin gene expression through distinct mechanisms in medullary thyroid cancer cells
kw 2449KW 2449: has both multikinase inhibitory activity and antineoplastic activity; structure in first source
danusertibpiperazines
N-[5-[[5-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-methoxy-2-methylphenyl]thio]-2-thiazolyl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamidebenzamides
nvp-aew541
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
dorsomorphindorsomorphin : A pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine which is substituted at positions 3 and 6 by pyridin-4-yl and p-[2-(piperidin-1-yl)ethoxy]phenyl groups, respectively. It is a potent, selective, reversible, and ATP-competitive inhibitor of AMPK (AMP-activated protein kinase, EC 2.7.11.31) and a selective inhibitor of bone morphogenetic protein (BMP) signaling.

dorsomorphin: an AMPK inhibitor
aromatic ether;
piperidines;
pyrazolopyrimidine;
pyridines
bone morphogenetic protein receptor antagonist;
EC 2.7.11.31 {[hydroxymethylglutaryl-CoA reductase (NADPH)] kinase} inhibitor
ch 4987655
6-(5-((cyclopropylamino)carbonyl)-3-fluoro-2-methylphenyl)-n-(2,2-dimethylprpyl)-3-pyridinecarboxamidephenylpyridine
apremilastaromatic ether;
N-acetylarylamine;
phthalimides;
sulfone
non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor
cortistatin acortistatin A : A member of the class of cortistatins that is substituted by hydroxy groups at positions 1 and 2, a dimethylamino group at the 3alpha position and an isoquinolin-7-yl group at the 17 position, with double bonds at the 9-11 and 10-19 positions (the 1R,2R,17beta enantiomer).

cortistatin A: structure in first source
cortistatins;
diol;
secondary alcohol
f-amidineF-amidine: structure in first sourceN-acylglycine
cc-930
ino-8875INO-8875: structure in first source
gw 25805-(3-methoxy-4-((4-methoxybenzyl)oxy)benzyl)pyrimidine-2,4-diamine: a cFMS kinase inhibitor; structure in first source
tozadenanttozadenant: an adenosine A2A receptor antagonistbenzothiazoles
tak 285N-(2-(4-((3-chloro-4-(3-(trifluoromethyl)phenoxy)phenyl)amino)-5H-pyrrolo(3,2-d)pyrimidin-5-yl)ethyl)-3-hydroxy-3-methylbutanamide: also inhibits HER2; structure in first source
glanatec
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
4-[2-(2-chloro-4-fluoroanilino)-5-methyl-4-pyrimidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamideVx-11e: ERK1-2 inhibitoraromatic amide;
heteroarene
osi 906cyclobutanes;
quinolines
chir-265aromatic ether
motesanibpyridinecarboxamide
fostamatinibfostamatinib: a spleen tyrosine kinase (Syk) inhibitor, metabolized to R406
az-628AZ-628: a multikinase inhibitor; structure in first sourcebenzamides
jnj 28312141
psb 361-butyl-8-(3-noradamantyl)-3-(3-hydroxypropyl)xanthine: an A1 receptor antagonistoxopurine
trametinibacetamides;
aromatic amine;
cyclopropanes;
organofluorine compound;
organoiodine compound;
pyridopyrimidine;
ring assembly
anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor;
geroprotector
mln8054benzazepine
pf-562,271indoles
pha 767491PHA 767491: a Cdc7 inhibitor; structure in first sourcepyrrolopyridine
GDC-0879indanes;
ketoxime;
primary alcohol;
pyrazoles;
pyridines
antineoplastic agent;
B-Raf inhibitor
lj 529
N-(2,4-dimethoxyphenyl)-N-[2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]carbamic acid (2,6-dimethylphenyl) esterpiperazines
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
sar 1118lifitegrast : An N-acyl-L-alpha-amino acid obtained by formal condensation of the carboxy group of N-[2-(1-benzofuran-6-carbonyl)]-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid with the amino group of 3-(methanesulfonyl)-L-phenylalanine. Used for treatment of keratoconjunctivitis sicca (dry eye syndrome).

lifitegrast: An LFA-1 (LYMPHOCYTE FUNCTION-ASSOCIATED ANTIGEN-1) antagonist that is used in the treatment of DRY EYE SYNDROMES.
1-benzofurans;
isoquinolines;
L-phenylalanine derivative;
N-acyl-L-alpha-amino acid;
sulfone
anti-inflammatory drug;
lymphocyte function-associated antigen-1 antagonist
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
psi 6972-(4-chlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo(H)quinoline-4-carboxylic acid: inhibitor of P selectin that decreases vein wall injury in a rat stenosis model of venous thrombosis
8-benzylthio-n(6)-n-butyladenosine cyclic-3,5'-monophosphate8-benzylthio-N(6)-n-butyladenosine cyclic-3,5'-monophosphate: may be useful as myocardial stimulant; structure given in first source
gsk 461364GSK 461364: an antineoplastic agent that inhibits polo-like kinase 1(trifluoromethyl)benzenes
azd 1152-hqpaAZD2811: has antineoplastic activity; structure in first sourceanilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound
antineoplastic agent;
Aurora kinase inhibitor
nvp-tae684piperidines
a 803467A 803467: an Nav1.8 sodium channel blocker; structure in first source
enmd 2076ENMD 2076: an antiangiogenic agent with aurora kinase inhibitory and antineoplastic activities
4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-n-(3-(trifluoromethyl)phenyl)benzamide4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide: structure in first source
gsk 269962a
sb 772077-b
e 7050aromatic ether
2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)-7-pyrido[2,3-d]pyrimidinonepyrazolopyridine
tak-901
tanninsgallotannin : A class of hydrolysable tannins obtained by condensation of the carboxy group of gallic acid (and its polymeric derivatives) with the hydroxy groups of a monosaccharide (most commonly glucose).tannin
msh, 4-nle-7-phe-alpha-polypeptidedermatologic drug
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
nvp-bhg712benzamides
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
3-(2,5-dimethoxyphenyl)-6-(3,4-dimethoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazinetriazoles
v 20063-(4-amino-3-methylbenzyl)-7-(2-furyl)-3H-(1,2,3)triazolo(4,5-d)pyrimidine-5-amine: antiparkinson agent; structure in first source
icotinib
ph 797804PH 797804 : A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1-yl}-4-methylbenzoic acid with the amino group of methylamine.

PH 797804: an NSAID; structure in first source
aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone
anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
kx-01
plx 4720PLX 4720: a B-Raf(V600E) kinase inhibitor; structure in first sourcearomatic ketone;
difluorobenzene;
organochlorine compound;
pyrrolopyridine;
sulfonamide
antineoplastic agent;
B-Raf inhibitor
mk 5108aromatic ether
cx 4945
cudc 1017-(4-(3-ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide: a histone deacetylase inhibitor; structure in first source
amg 4581-(2-hydroxy-2-methylpropyl)-N-(5-(7-methoxyquinolin-4-yloxy)pyridin-2-yl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide: a c-met 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
N-cyclopropyl-3-{4-[(cyclopropylmethyl)carbamoyl]phenyl}-4-methylbenzamideN-cyclopropyl-3-{4-[(cyclopropylmethyl)carbamoyl]phenyl}-4-methylbenzamide : A dicarboxylic acid diamide obtained by condensation of the 3- and 4'-carboxy groups of 6-methyl[1,1'-biphenyl]-3,4'-dicarboxylic acid with cyclpropylamine and cyclpropylmethylamine respectively.benzamides;
biphenyls;
cyclopropanes;
dicarboxylic acid diamide
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
mk-1775adavosertib: a Wee1 kinase inhibitor; structure in first sourcepiperazines
AMG-208aromatic ether;
quinolines;
triazolopyridazine
antineoplastic agent;
c-Met tyrosine kinase inhibitor
quizartinibbenzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor
PP121aromatic amine;
cyclopentanes;
pyrazolopyrimidine;
pyrrolopyridine
antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
tyrosine kinase inhibitor
at13148
tak 733
mk 2206MK 2206: a protein kinase inhibitor and antineoplastic agentorganic heterotricyclic compoundEC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
n-alpha-benzoyl-n5-(2-chloro-1-iminoethyl)-l-ornithine amidebenzenes
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
N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonyl-1-piperazinyl)-1-piperidinyl]anilino]-4-pyrimidinyl]-2-imidazo[1,2-a]pyridinyl]-2-methoxybenzamidebenzamides
incb-018424nitrile;
pyrazoles;
pyrrolopyrimidine
antineoplastic agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
poziotinibHM781-36B: antitumor irreversible Pan-HER inhibitor for treatment of gastric canceracrylamides;
aromatic ether;
dichlorobenzene;
diether;
monofluorobenzenes;
N-acylpiperidine;
quinazolines;
secondary amino compound;
substituted aniline
antineoplastic agent;
apoptosis inducer;
epidermal growth factor receptor antagonist
asp3026ASP-3026 : A member of the class of diamino-1,3,5-triazines that is 1,3,5-triazine-2,4-diamine in which the amino groups at positions 2 and 4 are respectively carrying 2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl and 2-(propan-2-ylsulfonyl)phenyl substituents. It is a potent inhibitor of anaplastic lymphoma kinase (ALK), Ack and ROS1 activity (IC50 values are 3.5, 5.8 and 8.9 nM respectively) and exhibits anti-cancer properties.

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

entrectinib: inhibits TRK, ROS1, and ALK receptor tyrosine kinases; structure in first source
benzamides;
difluorobenzene;
indazoles;
N-methylpiperazine;
oxanes;
secondary amino compound;
secondary carboxamide
antibacterial agent;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
sch 1473759SCH 1473759: an antineoplastic agent and aurora inhibitor
pexidartinibpexidartinib : A pyrrolopyridine that is 5-chloro-1H-pyrrolo[2,3-b]pyridine which is substituted by a [6-({[6-(trifluoromethyl)pyridin-3-yl]methyl}amino)pyridin-3-yl]methyl group at position 3. It is a potent multi-targeted receptor tyrosine kinase inhibitor of CSF-1R, KIT, and FLT3 (IC50 of 20 nM, 10 nM and 160 nM, respectively). Approved by the FDA for the treatment of adult patients with symptomatic tenosynovial giant cell tumor (TGCT).

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

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

omipalisib: inhibitor of mTOR protein
aromatic ether;
difluorobenzene;
pyridazines;
pyridines;
quinolines;
sulfonamide
anticoronaviral agent;
antineoplastic agent;
autophagy inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor;
radiosensitizing agent
emd1214063tepotinib: MET inhibitor
gsk 1838705aorganonitrogen compound;
organooxygen compound
pf 3758309PF 3758309: a PAK4 p21-activated kinase inhibitor; structure in first sourceorganic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound
gdc 0980
azd2014vistusertib: potent and selective dual mTORC1 and mTORC2 inhibitor; structure in first source
(5-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol(5-(2,4-bis((3S)-3-methylmorpholin-4-yl)pyrido(2,3-d)pyrimidin-7-yl)-2-methoxyphenyl)methanol: a potent, selective, and orally bioavailable ATP-competitive mammalian target of rapamycin kinase inhibitor with in vitro and in vivo antitumor activity; structure in first sourcebenzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound
antineoplastic agent;
apoptosis inducer;
mTOR inhibitor
plx4032aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide
antineoplastic agent;
B-Raf inhibitor
gsk 1363089GSK 1363089: a multikinase inhibitor that acts on Met, RON, Axl, and VEGFR; structure in first sourcearomatic ether
arry-334543ARRY-334543: an antagonist of ATP-binding cassette subfamily G member 2 (ABCG2); structure in first source
kin-193pyridopyrimidine
mk 2461
8-chloro-4-(3-chloro-4-fluoroanilino)-6-[[1-(1-ethyl-4-piperidinyl)-4-triazolyl]methylamino]-3-quinolinecarbonitrileaminoquinoline
bay 869766
psb603PSB603: an adenosine A2B receptor antagonist
as 703026pyridinecarboxamide
baricitinibazetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide
anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent
4-[6-[4-(methoxycarbonylamino)phenyl]-4-(4-morpholinyl)-1-pyrazolo[3,4-d]pyrimidinyl]-1-piperidinecarboxylic acid methyl esterWYE-354: an mTOR inhibitor; structure in first sourcecarbamate ester
p505-15
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
an2728crisaborole : A member of the class of benzoxaboroles that is 5-hydroxy-1,3-dihydro-2,1-benzoxaborole in which the phenolic hydrogen has been replaced by a 4-cyanophenyl group. A phosphodiesterase 4 inhibitor that is used for treatment of mild to moderate atopic dermatitis in children and adults.

crisaborole: NSAID, Dermatologic Agent; structure in first source
aromatic ether;
benzoxaborole;
nitrile
antipsoriatic;
non-steroidal anti-inflammatory drug;
phosphodiesterase IV inhibitor
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
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
abt-348ilorasertib: an antineoplastic agent and protein kinase inhibitor; structure in first source
tak-632TAK-632 : A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by (cyclopropanecarbonyl)amino, 4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy, and cyano groups at positions 2, 6 and 7, respectively. It is a potent pan-RAF inhibitor with IC50 of 1.4, 2.4 and 8.3 nM for CRAF, BRAF(V600E), BRAF(WT), respectively.(trifluoromethyl)benzenes;
aromatic ether;
benzothiazoles;
cyclopropylcarboxamide;
monofluorobenzenes;
nitrile;
secondary carboxamide
antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor;
EC 2.7.11.26 (tau-protein kinase) inhibitor;
necroptosis inhibitor
gsk 2334470GSK 2334470: a PDK1 inhibitor; structure in first sourceindazoles
sb 1518
abemaciclib
mk-8776
afuresertibamphetamines
gsk143GSK143: a Syk kinase inhibitor; structure in first source
gsk 1070916GSK 1070916: an antineoplastic agent with aurora B/C kinase inhibitory activitypyrazoles;
ring assembly
rn486RN486: a selective Bruton's tyrosine kinase inhibitor
jnj38877605quinolines
dinaciclibpyrazolopyrimidine
nms p937NMS P937: a polo-like kinase 1 inhibitor; structure in first source
gilteritinibgilteritinib : A member of the class of pyrazines that is pyrazine-2-carboxamide which is substituted by {3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}nitrilo, (oxan-4-yl)nitrilo and ethyl groups at positions 3,5 and 6, respectively. It is a potent inhibitor of FLT3 and AXL tyrosine kinase receptors (IC50 = 0.29 nM and 0.73 nM, respectively). Approved by the FDA for the treatment of acute myeloid leukemia in patients who have a FLT3 gene mutation.

gilteritinib: an FLT3/AXL protein tyrosine kinase inhibitor
aromatic amine;
monomethoxybenzene;
N-methylpiperazine;
oxanes;
piperidines;
primary carboxamide;
pyrazines;
secondary amino compound
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
alectinibaromatic ketone;
morpholines;
nitrile;
organic heterotetracyclic compound;
piperidines
antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
glpg0634
nms-p118NMS-P118: a PARP-1 inhibitor; structure in first source
delgocitinibdelgocitinib : A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine substituted by a (3S,4R)-1-(cyanoacetyl)-3-methyl-1,6-diazaspiro[3.4]octan-6-yl group at position 4. It is a pan-Janus kinase (JAK) inhibitor and is approved for treatment of atopic dermatitis (AD) in Japan.

delgocitinib: a Janus kinase inhibitor
azaspiro compound;
N-acylazetidine;
nitrile;
pyrrolopyrimidine;
tertiary amino compound;
tertiary carboxamide
anti-inflammatory drug;
antipsoriatic;
antiseborrheic;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor
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
gsk1210151aGSK1210151A: inhibitor of the BET family of proteins; structure in first sourceimidazoquinoline
azd8186
7-methyl-5-(1-((3-(trifluoromethyl)phenyl)acetyl)-2,3-dihydro-1h-indol-5-yl)-7h-pyrrolo(2,3-d)pyrimidin-4-amine7-methyl-5-(1-((3-(trifluoromethyl)phenyl)acetyl)-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine: inhibits protein kinase R (PKR)-like endoplasmic reticulum kinase (PERK); structure in first source
lfm a13LFM-A13 : An enamide obtained by formal condensation of the carboxy group of (2Z)-2-cyano-3-hydroxybut-2-enoic acid with the amino group of 2,5-dibromoaniline. It is a dual-function inhibitor of Bruton's tyrosine kinase (BTK) and Polo-like kinases (PLK) that exhibits anticancer properties.aromatic amide;
dibromobenzene;
enamide;
enol;
nitrile;
secondary carboxamide
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
EC 2.7.11.21 (polo kinase) inhibitor;
geroprotector;
platelet aggregation inhibitor
urmc-099URMC-099: inhibits mixed lineage kinase 3
on123300ON123300: a protein kinase inhibitor; structure in first source
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
cc-292spebrutinib: inhibits Bruton's tyrosine kinase; structure in first source
vx-509
rki-1447RKI-1447: an antineoplastic agent that inhibits ROCK1 and ROCK2; structure in first source
debio 1347CH5183284: a fibroblast growth factor receptor antagonist; structure in first source
pf-543PF-543: Sphingosine Kinase 1 Selective Inhibitor; structure in first sourcesulfonamide
ar-12286AR-12286: a Rho kinase inhibitor
volitinib
chf6001tanimilast: a phosphodiesterase-4 inhibitor; structure in first source
osimertinibosimertinib : A member of the class of aminopyrimidines that is 4-(1-methylindol-3-yl)pyrimidin-2-amine in which one of the amino hydrogens is replaced by a 2-methoxy-4-[2-(dimethylamino)ethyl](methyl)amino-5-acrylamidophenyl group. Used (as the mesylate salt) for treatment of EGFR T790M mutation positive non-small cell lung cancer.

osimertinib: an EGFR tyrosine kinase inhibitor
acrylamides;
aminopyrimidine;
biaryl;
indoles;
monomethoxybenzene;
secondary amino compound;
secondary carboxamide;
substituted aniline;
tertiary amino compound
antineoplastic agent;
epidermal growth factor receptor antagonist
ly3009120LY3009120 : A member of the class of pyridopyrimidines that is pyrido[2,3-d]pyrimidine substituted by methylamino, 5-{[(3,3-dimethylbutyl)carbamoyl]amino}-4-fluoro-2-methylphenyl, and methyl groups at positions 2, 6 and 7, respectively. It is a potent pan RAF inhibitor which inhibits BRAF(V600E), BRAF(WT) and CRAF(WT) (IC50 = 5.8, 9.1 and 15 nM, respectively). It also inhibits RAF homo- and heterodimers and exhibits anti-cancer properties.

LY3009120: a pan-RAF inhibitor; structure in first source
aminotoluene;
aromatic amine;
biaryl;
monofluorobenzenes;
phenylureas;
pyridopyrimidine;
secondary amino compound
antineoplastic agent;
apoptosis inducer;
autophagy inducer;
B-Raf inhibitor;
necroptosis inhibitor
azd3759
AZ3451benzimidazoles;
benzodioxoles;
nitrile;
organobromine compound;
secondary carboxamide
anti-inflammatory agent;
autophagy inducer;
PAR2 negative allosteric modulator
at 9283
otssp167OTS167: inhibitor of maternal embryonic leucine zipper kinase (MELK) with potential antineoplastic activity
chir 258
osi 027OSI 027: inhibits both mTORC1 and mTORC2; structure in first source
diguanosine tetraphosphateP(1),P(4)-bis(5'-guanosyl) tetraphosphate : A purine ribonucleoside 5'-tetraphosphate compound having 5'-guanosyl residues at the P(1)- and P(4)-positions.guanosine 5'-phosphate;
purine ribonucleoside 5'-tetraphosphate
Escherichia coli metabolite;
mouse metabolite
sildenafilsildenafil : A pyrazolo[4,3-d]pyrimidin-7-one having a methyl substituent at the 1-position, a propyl substituent at the 3-position and a 2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl group at the 5-position.piperazines;
pyrazolopyrimidine;
sulfonamide
EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor;
vasodilator agent
zaprinastzaprinast: anaphylaxis inhibitor; structuretriazolopyrimidines
vardenafilvardenafil : The sulfonamide resulting from formal condensation of the sulfo group of 4-ethoxy-3-(5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one-2-yl)benzenesulfonic acid and the secondary amino group of 4-ethylpiperazine.imidazotriazine;
N-alkylpiperazine;
N-sulfonylpiperazine
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
ro 3306RO 3306: structure in first source
Imidazosagatriazinonepyrazolopyrimidine
pelrinonepelrinone: structure given in first source
nintedanibnintedanib : A member of the class of oxindoles that is a kinase inhibitor used (in the form of its ethylsulfonate salt) for the treatment of idiopathic pulmonary fibrosis and cancer.
psb 11
lixazinonelixazinone: structure given in first source
bms 536924BMS 536924: inhibits insulin-like growth factor I receptor kinase; structure in first source
n-benzo(1,3)dioxol-5-yl-2-(5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1h-purin-8-yl)-1-methyl-1h-pyrazol-3-yloxy)-acetamide
luf 58342-amino-4-(4-hydroxyphenyl)-6-(1H-imidazol-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile: structure in first source
pf-477736PF 00477736: a Chk1 inhibitor; structure in first source

PF-00477736 : A diazepinoindole that is 8-amino-4,5-dihydro-6H-[1,2]diazepino[4,5,6-cd]indol-6-one which is substituted at position 2 by a 1-methylpyrazol-4-yl group and in which the amino group at position 8 has undergone condensation with the carboxy group of (2R)-2-cyclohexylglycine to give the corresponding carboxamide. It is an inhibitor of checkpoint kinase 1 (Chk 1).
bay 80-6946copanlisib : An imidazoquinazoline that is 2,3-dihydroimidazo[1,2-c]quinazoline substituted by (2-aminopyrimidine-5-carbonyl)amino, methoxy, and 3-(morpholin-4-yl)propoxy groups at positions 5, 7 and 8, respectively. It is a intravenous pan-class I PI3K inhibitor used for the treatment of relapsed follicular lymphoma in patients who have received at least 2 prior systemic therapies.

copanlisib: an antineoplastic agent with PI3K inhibitory activity; structure in first source
pp242torkinib : A member of the class of pyrazolopyrimidines that is 1H-pyrazolo[3,4-d]pyrimidine substituted by isopropyl, 5-hydroxyindol-2-yl and amino groups at positions 1, 3 and 4 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties.aromatic amine;
biaryl;
hydroxyindoles;
phenols;
primary amino compound;
pyrazolopyrimidine
antineoplastic agent;
mTOR inhibitor
nms-e973NMS-E973: structure in first source