| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|
5-hydroxytryptophan
5-Hydroxytryptophan: The immediate precursor in the biosynthesis of SEROTONIN from tryptophan. It is used as an antiepileptic and antidepressant.. 5-hydroxytryptophan : A tryptophan derivative that is tryptophan substituted by a hydroxy group at position 5. | 2.38 | 2 | 0 | hydroxytryptophan | human metabolite;
neurotransmitter |
indole
[no description available] | 2.02 | 1 | 0 | indole;
polycyclic heteroarene | Escherichia coli metabolite |
dihydroxyphenylalanine
Dihydroxyphenylalanine: A beta-hydroxylated derivative of phenylalanine. The D-form of dihydroxyphenylalanine has less physiologic activity than the L-form and is commonly used experimentally to determine whether the pharmacological effects of LEVODOPA are stereospecific.. dopa : A hydroxyphenylalanine carrying hydroxy substituents at positions 3 and 4 of the benzene ring. | 2.38 | 2 | 0 | hydroxyphenylalanine;
non-proteinogenic alpha-amino acid;
tyrosine derivative | human metabolite |
8-hydroxy-2-(di-n-propylamino)tetralin
8-Hydroxy-2-(di-n-propylamino)tetralin: A serotonin 1A-receptor agonist that is used experimentally to test the effects of serotonin.. 8-OH-DPAT : A tetralin substituted at positions 1 and 7 by hydroxy and dipropylamino groups respectively | 2.4 | 2 | 0 | phenols;
tertiary amino compound;
tetralins | serotonergic antagonist |
b 844-39
[no description available] | 2.15 | 1 | 0 | diarylmethane | |
sk&f-38393
2,3,4,5-Tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine: A selective D1 dopamine receptor agonist used primarily as a research tool.. 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol : A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1 and two hydroxy substituents at positions 7 and 8.. SKF 38393 : A racemate comprising equimolar amounts of (R)- and (S)-SKF 38393 | 1.99 | 1 | 0 | benzazepine;
catechols;
secondary amino compound | |
pk 11195
PK-11195 : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid with the amino group of sec-butylmethylamine | 2.89 | 3 | 0 | aromatic amide;
isoquinolines;
monocarboxylic acid amide;
monochlorobenzenes | antineoplastic agent |
1-(3-chlorophenyl)piperazine
1-(3-chlorophenyl)piperazine: supposed metabolite of TRAZODONE; RN given refers to parent cpd; structure. 1-(3-chlorophenyl)piperazine : A N-arylpiperazine that is piperazine carrying a 3-chlorophenyl substituent at position 1. It is a metabolite of the antidepressant drug trazodone. | 1.99 | 1 | 0 | monochlorobenzenes;
N-arylpiperazine | drug metabolite;
environmental contaminant;
serotonergic agonist;
xenobiotic |
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine: A dopaminergic neurotoxic compound which produces irreversible clinical, chemical, and pathological alterations that mimic those found in Parkinson disease.. 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine : A tetrahydropyridine that is 1,2,3,6-tetrahydropyridine substituted by a methyl group at position 1 and a phenyl group at position 4. | 1.98 | 1 | 0 | methylpyridines;
phenylpyridine;
tetrahydropyridine | neurotoxin |
jtv519
[no description available] | 2.89 | 3 | 0 | | |
alprazolam
Alprazolam: A triazolobenzodiazepine compound with antianxiety and sedative-hypnotic actions, that is efficacious in the treatment of PANIC DISORDERS, with or without AGORAPHOBIA, and in generalized ANXIETY DISORDERS. (From AMA Drug Evaluations Annual, 1994, p238). alprazolam : A member of the class of triazolobenzodiazepines that is 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine carrying methyl, phenyl and chloro substituents at positions 1, 6 and 8 respectively. Alprazolam is only found in individuals that have taken this drug. | 3.01 | 4 | 0 | organochlorine compound;
triazolobenzodiazepine | anticonvulsant;
anxiolytic drug;
GABA agonist;
muscle relaxant;
sedative;
xenobiotic |
dan 2163
[no description available] | 2.89 | 3 | 0 | aromatic amide;
aromatic amine;
benzamides;
pyrrolidines;
sulfone | environmental contaminant;
second generation antipsychotic;
xenobiotic |
amlexanox
amlexanox: SRA-A antagonist;structure given in first source. amlexanox : A pyridochromene-derived monocarboxylic acid having an amino substituent at the 2-position, an oxo substituent at the 5-position and an isopropyl substituent at the 7-position. | 2.89 | 3 | 0 | monocarboxylic acid;
pyridochromene | anti-allergic agent;
anti-ulcer drug;
non-steroidal anti-inflammatory drug |
astemizole
Astemizole: Antihistamine drug now withdrawn from the market in many countries because of rare but potentially fatal side effects.. astemizole : 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. | 3.01 | 4 | 0 | benzimidazoles;
piperidines | anti-allergic agent;
anticoronaviral agent;
H1-receptor antagonist |
atenolol
Atenolol: A cardioselective beta-1 adrenergic blocker possessing properties and potency similar to PROPRANOLOL, but without a negative inotropic effect.. atenolol : An ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent. | 2 | 1 | 0 | ethanolamines;
monocarboxylic acid amide;
propanolamine | anti-arrhythmia drug;
antihypertensive agent;
beta-adrenergic antagonist;
environmental contaminant;
sympatholytic agent;
xenobiotic |
benzbromarone
Benzbromarone: Uricosuric that acts by increasing uric acid clearance. It is used in the treatment of gout.. benzbromarone : 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication. | 2.89 | 3 | 0 | 1-benzofurans;
aromatic ketone | uricosuric drug |
bisindolylmaleimide i
bisindolylmaleimide I: a bis(indolyl)maleimide | 2.89 | 3 | 0 | | |
bufexamac
Bufexamac: A benzeneacetamide with anti-inflammatory, analgesic, and antipyretic action. It is administered topically, orally, or rectally.. bufexamac : A hydroxamic acid derived from phenylacetamide in which the benzene moiety is substituted at C-4 by a butoxy group. It has anti-inflammatory, analgesic, and antipyretic properties. | 2.89 | 3 | 0 | aromatic ether;
hydroxamic acid | antipyretic;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
cadralazine
cadralazine: structure given in first source | 2.89 | 3 | 0 | organic molecular entity | |
caffeine
[no description available] | 2 | 1 | 0 | purine 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 |
carvedilol
[no description available] | 2.63 | 2 | 0 | carbazoles;
secondary alcohol;
secondary amino compound | alpha-adrenergic antagonist;
antihypertensive agent;
beta-adrenergic antagonist;
cardiovascular drug;
vasodilator agent |
cetirizine
Cetirizine: A potent second-generation histamine H1 antagonist that is effective in the treatment of allergic rhinitis, chronic urticaria, and pollen-induced asthma. Unlike many traditional antihistamines, it does not cause drowsiness or anticholinergic side effects.. cetirizine : A member of the class of piperazines that is piperazine in which the hydrogens attached to nitrogen are replaced by a (4-chlorophenyl)(phenyl)methyl and a 2-(carboxymethoxy)ethyl group respectively. | 2.78 | 3 | 0 | ether;
monocarboxylic acid;
monochlorobenzenes;
piperazines | anti-allergic agent;
environmental contaminant;
H1-receptor antagonist;
xenobiotic |
chlorcyclizine
chlorcyclizine: was heading 1964-94 (Prov 1964-73); CHLOROCYCLIZINE & HISTACHLORAZINE were see CHLORCYCLIZINE 1977-94; use PIPERAZINES to search CHLORCYCLIZINE 1966-94; histamine H1-blocker used both orally and topically in allergies and also for the prevention of motion sickness | 2.89 | 3 | 0 | diarylmethane | |
chlorpromazine
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.. chlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety. | 2 | 1 | 0 | organochlorine compound;
phenothiazines;
tertiary amine | anticoronaviral agent;
antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
phenothiazine antipsychotic drug |
ci 994
tacedinaline: oral cytostatic drug with impressive differential activity against leukemic cells & normal stem-cells. tacedinaline : A benzamide obtained by formal condensation of the carboxy group of 4-acetamidobenzoic acid with one of the amino groups of 1,2-phenylenediamine. An oral cytostatic drug with impressive differential activity against leukemic cells and normal stem-cells. Also used in combination therapy for selected tumors including non-smoll cell lung, pancreatic, breast, and colorectal cancers. | 2.89 | 3 | 0 | acetamides;
benzamides;
substituted aniline | antineoplastic agent;
EC 3.5.1.98 (histone deacetylase) inhibitor |
cimetidine
Cimetidine: A histamine congener, it competitively inhibits HISTAMINE binding to HISTAMINE H2 RECEPTORS. Cimetidine has a range of pharmacological actions. It inhibits GASTRIC ACID secretion, as well as PEPSIN and GASTRIN output.. cimetidine : A member of the class of guanidines that consists of guanidine carrying a methyl substituent at position 1, a cyano group at position 2 and a 2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl group at position 3. It is a H2-receptor antagonist that inhibits the production of acid in stomach. | 2 | 1 | 0 | aliphatic sulfide;
guanidines;
imidazoles;
nitrile | adjuvant;
analgesic;
anti-ulcer drug;
H2-receptor antagonist;
P450 inhibitor |
ciprofloxacin
Ciprofloxacin: A broad-spectrum antimicrobial carboxyfluoroquinoline.. ciprofloxacin : A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively. | 2 | 1 | 0 | aminoquinoline;
cyclopropanes;
fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone;
zwitterion | antibacterial drug;
antiinfective agent;
antimicrobial agent;
DNA synthesis inhibitor;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
environmental contaminant;
topoisomerase IV inhibitor;
xenobiotic |
clobazam
Clobazam: A benzodiazepine derivative that is a long-acting GABA-A RECEPTOR agonist. It is used as an antiepileptic in the treatment of SEIZURES, including seizures associated with LENNOX-GASTAUT SYNDROME. It is also used as an anxiolytic, for the short-term treatment of acute ANXIETY.. clobazam : 7-Chloro-1H-1,5-benzodiazepine-2,4(3H,5H)-dione in which the hydrogen attached to the nitrogen at position 1 is substituted by a methyl group, whilst that attached to the other nitrogen is substituted by a phenyl group. It is used for the short-term management of acute anxiety and as an adjunct in the treatment of epilepsy in association with other antiepileptics. | 2 | 1 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anticonvulsant;
anxiolytic drug;
GABA modulator |
clonidine
Clonidine: An imidazoline sympatholytic agent that stimulates ALPHA-2 ADRENERGIC RECEPTORS and central IMIDAZOLINE RECEPTORS. It is commonly used in the management of HYPERTENSION.. clonidine (amino form) : A clonidine that is 4,5-dihydro-1H-imidazol-2-amine in which one of the amino hydrogens is replaced by a 2,6-dichlorophenyl group. | 2 | 1 | 0 | clonidine;
imidazoline | |
cyclosporine
cyclosporin A : A cyclic nonribosomal peptide of eleven amino acids; an immunosuppressant drug widely used in post-allogeneic organ transplant to reduce the activity of the patient's immune system, and therefore the risk of organ rejection. Also causes reversible inhibition of immunocompetent lymphocytes in the G0- and G1-phase of the cell cycle. | 2.59 | 2 | 0 | | |
deferiprone
Deferiprone: A pyridone derivative and iron chelator that is used in the treatment of IRON OVERLOAD in patients with THALASSEMIA.. deferiprone : A member of the class of 4-pyridones that is pyridin-4(1H)-one substituted at positions 1 and 2 by methyl groups and at position 3 by a hydroxy group. A lipid-soluble iron-chelator used for treatment of thalassaemia. | 2 | 1 | 0 | 4-pyridones | iron chelator;
protective agent |
desipramine
Desipramine: A tricyclic dibenzazepine compound that potentiates neurotransmission. Desipramine selectively blocks reuptake of norepinephrine from the neural synapse, and also appears to impair serotonin transport. This compound also possesses minor anticholinergic activity, through its affinity to muscarinic receptors.. desipramine : A dibenzoazepine consisting of 10,11-dihydro-5H-dibenzo[b,f]azepine substituted on nitrogen with a 3-(methylamino)propyl group. | 2 | 1 | 0 | dibenzoazepine;
secondary amino compound | adrenergic uptake inhibitor;
alpha-adrenergic antagonist;
antidepressant;
cholinergic antagonist;
drug allergen;
EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
serotonin uptake inhibitor |
nordazepam
Nordazepam: An intermediate in the metabolism of DIAZEPAM to OXAZEPAM. It may have actions similar to those of diazepam.. nordazepam : A 1,4-benzodiazepinone having phenyl and chloro substituents at positions 5 and 7 respectively; it has anticonvulsant, anxiolytic, muscle relaxant and sedative properties but is used primarily in the treatment of anxiety. | 2 | 1 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anticonvulsant;
anxiolytic drug;
GABA modulator;
human metabolite;
sedative |
amphetamine
Amphetamine: A powerful central nervous system stimulant and sympathomimetic. Amphetamine has multiple mechanisms of action including blocking uptake of adrenergics and dopamine, stimulation of release of monamines, and inhibiting monoamine oxidase. Amphetamine is also a drug of abuse and a psychotomimetic. The l- and the d,l-forms are included here. The l-form has less central nervous system activity but stronger cardiovascular effects. The d-form is DEXTROAMPHETAMINE.. 1-phenylpropan-2-amine : A primary amine that is isopropylamine in which a hydrogen attached to one of the methyl groups has been replaced by a phenyl group.. amphetamine : A racemate comprising equimolar amounts of (R)-amphetamine (also known as levamphetamine or levoamphetamine) and (S)-amphetamine (also known as dexamfetamine or dextroamphetamine. | 1.99 | 1 | 0 | primary amine | |
diazepam
Diazepam: A benzodiazepine with anticonvulsant, anxiolytic, sedative, muscle relaxant, and amnesic properties and a long duration of action. Its actions are mediated by enhancement of GAMMA-AMINOBUTYRIC ACID activity.. diazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a methyl group at position 1 and a phenyl group at position 5. | 2 | 1 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anticonvulsant;
anxiolytic drug;
environmental contaminant;
sedative;
xenobiotic |
diphenhydramine
Diphenhydramine: A histamine H1 antagonist used as an antiemetic, antitussive, for dermatoses and pruritus, for hypersensitivity reactions, as a hypnotic, an antiparkinson, and as an ingredient in common cold preparations. It has some undesired antimuscarinic and sedative effects.. diphenhydramine : An ether that is the benzhydryl ether of 2-(dimethylamino)ethanol. It is a H1-receptor antagonist used as a antipruritic and antitussive drug.. antitussive : An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration. | 2 | 1 | 0 | ether;
tertiary amino compound | anti-allergic agent;
antidyskinesia agent;
antiemetic;
antiparkinson drug;
antipruritic drug;
antitussive;
H1-receptor antagonist;
local anaesthetic;
muscarinic antagonist;
oneirogen;
sedative |
p-chloroamphetamine
p-Chloroamphetamine: Chlorinated analog of AMPHETAMINE. Potent neurotoxin that causes release and eventually depletion of serotonin in the CNS. It is used as a research tool. | 1.97 | 1 | 0 | | |
domperidone
Domperidone: A specific blocker of dopamine receptors. It speeds gastrointestinal peristalsis, causes prolactin release, and is used as antiemetic and tool in the study of dopaminergic mechanisms.. domperidone : 1-[3-(Piperidin-1-yl)propyl]-1,3-dihydro-2H-benzimidazol-2-one in which the 4-position of the piperidine ring is substituted by a 5-chloro-1,3-dihydro-2H-benzimidazol-2-on-1-yl group. A dopamine antagonist, it is used as an antiemetic for the short-term treatment of nausea and vomiting, and to control gastrointestinal effects of dopaminergic drugs given in the management of parkinsonism. The free base is used in oral suspensions, while the maleate salt is used in tablet preparations. | 2 | 1 | 0 | benzimidazoles;
heteroarylpiperidine | antiemetic;
dopaminergic antagonist |
adtn
ADTN: RN given refers to parent cpd without isomeric designation; structure | 2.01 | 1 | 0 | | |
ebastine
[no description available] | 2 | 1 | 0 | organic molecular entity | |
enoxacin
Enoxacin: A broad-spectrum 6-fluoronaphthyridinone antibacterial agent that is structurally related to NALIDIXIC ACID.. enoxacin : A 1,8-naphthyridine derivative that is 1,4-dihydro-1,8-naphthyridine with an ethyl group at the 1 position, a carboxy group at the 3-position, an oxo sustituent at the 4-position, a fluoro substituent at the 5-position and a piperazin-1-yl group at the 7 position. An antibacterial, it is used in the treatment of urinary-tract infections and gonorrhoea. | 2 | 1 | 0 | 1,8-naphthyridine derivative;
amino acid;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-arylpiperazine;
quinolone antibiotic | antibacterial drug;
DNA synthesis inhibitor |
fenbendazole
Fenbendazole: Antinematodal benzimidazole used in veterinary medicine.. fenbendazole : A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted at positons 2 and 5 by (methoxycarbonyl)amino and phenylsulfanediyl groups, respectively. A broad-spectrum anthelmintic, it is used, particularly in veterinary medicine, for the treatment of nematodal infections. | 2.89 | 3 | 0 | aryl sulfide;
benzimidazoles;
carbamate ester | antinematodal drug |
fenfluramine
Fenfluramine: A centrally active drug that apparently both blocks serotonin uptake and provokes transport-mediated serotonin release.. fenfluramine : A secondary amino compound that is 1-phenyl-propan-2-amine in which one of the meta-hydrogens is substituted by trifluoromethyl, and one of the hydrogens attached to the nitrogen is substituted by an ethyl group. It binds to the serotonin reuptake pump, causing inhbition of serotonin uptake and release of serotonin. The resulting increased levels of serotonin lead to greater serotonin receptor activation which in turn lead to enhancement of serotoninergic transmission in the centres of feeding behavior located in the hypothalamus. This suppresses the appetite for carbohydrates. Fenfluramine was used as the hydrochloride for treatment of diabetes and obesity. It was withdrawn worldwide after reports of heart valve disease and pulmonary hypertension. | 1.99 | 1 | 0 | (trifluoromethyl)benzenes;
secondary amino compound | appetite depressant;
serotonergic agonist;
serotonin uptake inhibitor |
berotek
Fenoterol: A synthetic adrenergic beta-2 agonist that is used as a bronchodilator and tocolytic.. fenoterol : A member of the class resorcinols that is 5-(1-hydroxyethyl)benzene-1,3-diol in which one of the methyl hydrogens is replaced by a 1-(4-hydroxyphenyl)propan-2-amino group. A beta2-adrenergic agonist, it is used (as the hydrobromide salt) as a bronchodilator in the management of reversible airway obstruction. | 2.15 | 1 | 0 | resorcinols;
secondary alcohol;
secondary amino compound | beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent;
tocolytic agent |
fleroxacin
Fleroxacin: A broad-spectrum antimicrobial fluoroquinolone. The drug strongly inhibits the DNA-supercoiling activity of DNA GYRASE.. fleroxacin : A fluoroquinolone antibiotic that is 4-oxo-1,4-dihydroquinoline which is substituted at positions 1, 3, 6, 7 and 8 by 2-fluoroethyl, carboxy, fluoro, 4-methylpiperazin-1-yl and fluoro groups, respectively. It is active against many Gram-positive and Gram-negative bacteria. | 2 | 1 | 0 | difluorobenzene;
fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
quinolines | antibacterial drug;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
topoisomerase IV inhibitor |
furosemide
Furosemide: A benzoic-sulfonamide-furan. It is a diuretic with fast onset and short duration that is used for EDEMA and chronic RENAL INSUFFICIENCY.. furosemide : A chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure. | 2 | 1 | 0 | chlorobenzoic acid;
furans;
sulfonamide | environmental contaminant;
loop diuretic;
xenobiotic |
go 6976
[no description available] | 2.89 | 3 | 0 | indolocarbazole;
organic heterohexacyclic compound | EC 2.7.11.13 (protein kinase C) inhibitor |
haloperidol
Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279). haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety. | 3.15 | 5 | 0 | aromatic ketone;
hydroxypiperidine;
monochlorobenzenes;
organofluorine compound;
tertiary alcohol | antidyskinesia agent;
antiemetic;
dopaminergic antagonist;
first generation antipsychotic;
serotonergic antagonist |
homochlorocyclizine
homochlorocyclizine: RN given refers to parent cpd | 2.89 | 3 | 0 | diarylmethane | |
hydroxyzine
Hydroxyzine: A histamine H1 receptor antagonist that is effective in the treatment of chronic urticaria, dermatitis, and histamine-mediated pruritus. Unlike its major metabolite CETIRIZINE, it does cause drowsiness. It is also effective as an antiemetic, for relief of anxiety and tension, and as a sedative.. hydroxyzine : A N-alkylpiperazine that is piperzine in which the nitrogens atoms are substituted by 2-(2-hydroxyethoxy)ethyl and (4-chlorophenyl)(phenyl)methyl groups respectively. | 2.89 | 3 | 0 | hydroxyether;
monochlorobenzenes;
N-alkylpiperazine | anticoronaviral agent;
antipruritic drug;
anxiolytic drug;
dermatologic drug;
H1-receptor antagonist |
ifenprodil
ifenprodil: NMDA receptor antagonist | 2.89 | 3 | 0 | piperidines | |
imipramine
Imipramine: The prototypical tricyclic antidepressant. It has been used in major depression, dysthymia, bipolar depression, attention-deficit disorders, agoraphobia, and panic disorders. It has less sedative effect than some other members of this therapeutic group.. imipramine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom. | 2 | 1 | 0 | dibenzoazepine | adrenergic uptake inhibitor;
antidepressant;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
1-(2-naphthalenyl)-3-[(phenylmethyl)-propan-2-ylamino]-1-propanone
ZM39923: structure in first source | 2.89 | 3 | 0 | naphthalenes | |
ketamine
Ketamine: A cyclohexanone derivative used for induction of anesthesia. Its mechanism of action is not well understood, but ketamine can block NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE) and may interact with sigma receptors.. ketamine : A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group. | 2.89 | 3 | 0 | cyclohexanones;
monochlorobenzenes;
secondary amino compound | analgesic;
environmental contaminant;
intravenous anaesthetic;
neurotoxin;
NMDA receptor antagonist;
xenobiotic |
ketoprofen
Ketoprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It is used in the treatment of rheumatoid arthritis and osteoarthritis.. ketoprofen : An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2. | 2.89 | 3 | 0 | benzophenones;
oxo monocarboxylic acid | antipyretic;
drug allergen;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
environmental contaminant;
non-steroidal anti-inflammatory drug;
xenobiotic |
lomefloxacin
lomefloxacin: structure given in first source. lomefloxacin : A fluoroquinolone antibiotic, used (generally as the hydrochloride salt) to treat bacterial infections including bronchitis and urinary tract infections. It is also used to prevent urinary tract infections prior to surgery. | 2 | 1 | 0 | fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | antimicrobial agent;
antitubercular agent;
photosensitizing agent |
loperamide
Loperamide: One of the long-acting synthetic ANTIDIARRHEALS; it is not significantly absorbed from the gut, and has no effect on the adrenergic system or central nervous system, but may antagonize histamine and interfere with acetylcholine release locally.. loperamide : A synthetic piperidine derivative, effective against diarrhoea resulting from gastroenteritis or inflammatory bowel disease. | 2 | 1 | 0 | monocarboxylic acid amide;
monochlorobenzenes;
piperidines;
tertiary alcohol | anticoronaviral agent;
antidiarrhoeal drug;
mu-opioid receptor agonist |
loratadine
Loratadine: A second-generation histamine H1 receptor antagonist used in the treatment of allergic rhinitis and urticaria. Unlike most classical antihistamines (HISTAMINE H1 ANTAGONISTS) it lacks central nervous system depressing effects such as drowsiness.. loratadine : A benzocycloheptapyridine that is 6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine substituted by a chloro group at position 8 and a 1-(ethoxycarbonyl)piperidin-4-ylidene group at position 11. It is a H1-receptor antagonist commonly employed in the treatment of allergic disorders. | 2 | 1 | 0 | benzocycloheptapyridine;
ethyl ester;
N-acylpiperidine;
organochlorine compound;
tertiary carboxamide | anti-allergic agent;
cholinergic antagonist;
geroprotector;
H1-receptor antagonist |
mebendazole
Mebendazole: A benzimidazole that acts by interfering with CARBOHYDRATE METABOLISM and inhibiting polymerization of MICROTUBULES.. mebendazole : A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a benzoyl group at position 5. | 2.89 | 3 | 0 | aromatic ketone;
benzimidazoles;
carbamate ester | antinematodal drug;
microtubule-destabilising agent;
tubulin modulator |
mefloquine hydrochloride
[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol : An organofluorine compound that consists of quinoline bearing trifluoromethyl substituents at positions 2 and 8 as well as a (2-piperidinyl)hydroxymethyl substituent at position 4. | 2 | 1 | 0 | organofluorine compound;
piperidines;
quinolines;
secondary alcohol | |
mephenesin
Mephenesin: A centrally acting muscle relaxant with a short duration of action.. 1-(2-methylphenyl)glycerol : A glycerol ether in which a single 2-methylphenyl group is attached at position 1 of glycerol via an ether linkage. | 2.89 | 3 | 0 | aromatic ether;
glycerol ether | |
1-(3-trifluoromethylphenyl)piperazine
1-(3-trifluoromethylphenyl)piperazine: acts as serotonin agonist; structure. 1-(3-(trifluoromethyl)phenyl)piperazine : A N-arylpiperazine that is piperazine substituted by a 3-(trifluoromethyl)phenyl group at position 1. A serotonergic agonist used as a recreational drug. | 1.99 | 1 | 0 | (trifluoromethyl)benzenes;
N-arylpiperazine | environmental contaminant;
psychotropic drug;
serotonergic agonist;
xenobiotic |
niclosamide
Niclosamide: An antihelmintic that is active against most tapeworms. (From Martindale, The Extra Pharmacopoeia, 30th ed, p48). niclosamide : 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. | 2.89 | 3 | 0 | benzamides;
C-nitro compound;
monochlorobenzenes;
salicylanilides;
secondary carboxamide | anthelminthic drug;
anticoronaviral agent;
antiparasitic agent;
apoptosis inducer;
molluscicide;
piscicide;
STAT3 inhibitor |
norfloxacin
Norfloxacin: A synthetic fluoroquinolone (FLUOROQUINOLONES) with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin inhibits bacterial DNA GYRASE.. norfloxacin : A quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase. | 2 | 1 | 0 | fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | antibacterial drug;
DNA synthesis inhibitor;
environmental contaminant;
xenobiotic |
ofloxacin
Ofloxacin: A synthetic fluoroquinolone antibacterial agent that inhibits the supercoiling activity of bacterial DNA GYRASE, halting DNA REPLICATION.. 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid : An oxazinoquinoline that is 2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinolin-7-one substituted by methyl, carboxy, fluoro, and 4-methylpiperazin-1-yl groups at positions 3, 6, 9, and 10, respectively.. ofloxacin : A racemate comprising equimolar amounts of levofloxacin and dextrofloxacin. It is a synthetic fluoroquinolone antibacterial agent which inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication. | 2 | 1 | 0 | 3-oxo monocarboxylic acid;
N-arylpiperazine;
N-methylpiperazine;
organofluorine compound;
oxazinoquinoline | |
oxazepam
Oxazepam: A benzodiazepine used in the treatment of anxiety, alcohol withdrawal, and insomnia.. oxazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a hydroxy group at position 3 and phenyl group at position 5. | 2 | 1 | 0 | 1,4-benzodiazepinone;
organochlorine compound | anxiolytic drug;
environmental contaminant;
xenobiotic |
oxibendazole
oxibendazole: structure | 2.89 | 3 | 0 | benzimidazoles;
carbamate ester | |
oxidopamine
Oxidopamine: A neurotransmitter analogue that depletes noradrenergic stores in nerve endings and induces a reduction of dopamine levels in the brain. Its mechanism of action is related to the production of cytolytic free-radicals.. oxidopamine : A benzenetriol that is phenethylamine in which the hydrogens at positions 2, 4, and 5 on the phenyl ring are replaced by hydroxy groups. It occurs naturally in human urine, but is also produced as a metabolite of the drug DOPA (used for the treatment of Parkinson's disease). | 1.97 | 1 | 0 | benzenetriol;
catecholamine;
primary amino compound | drug metabolite;
human metabolite;
neurotoxin |
4-(2'-methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine
4-(2'-methoxyphenyl)-1-(2'-(N-(2''-pyridinyl)-4-iodobenzamido)ethyl)piperazine: a 5-HT(1A) ligand; structure in first source | 2.89 | 3 | 0 | | |
perphenazine
Perphenazine: An antipsychotic phenothiazine derivative with actions and uses similar to those of CHLORPROMAZINE.. perphenazine : A phenothiazine derivative in which the phenothiazine tricycle carries a chloro substituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at N-10. | 3.01 | 4 | 0 | N-(2-hydroxyethyl)piperazine;
N-alkylpiperazine;
organochlorine compound;
phenothiazines | antiemetic;
dopaminergic antagonist;
phenothiazine antipsychotic drug |
pimobendan
pimobendan: produces arterial & venous dilatation in dogs; structure given in first source | 2.89 | 3 | 0 | benzimidazoles;
pyridazinone | cardiotonic drug;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent |
pindolol
Pindolol: A moderately lipophilic beta blocker (ADRENERGIC BETA-ANTAGONISTS). It is non-cardioselective and has intrinsic sympathomimetic actions, but little membrane-stabilizing activity. (From Martindale, The Extra Pharmocopoeia, 30th ed, p638). pindolol : A member of the class of indols which is the 2-hydroxy-3-(isopropylamino)propyl ether derivative of 1H-indol-4-ol. | 2 | 1 | 0 | indoles;
secondary amine | antiglaucoma drug;
antihypertensive agent;
beta-adrenergic antagonist;
serotonergic antagonist;
vasodilator agent |
pirenzepine
Pirenzepine: An antimuscarinic agent that inhibits gastric secretion at lower doses than are required to affect gastrointestinal motility, salivary, central nervous system, cardiovascular, ocular, and urinary function. It promotes the healing of duodenal ulcers and due to its cytoprotective action is beneficial in the prevention of duodenal ulcer recurrence. It also potentiates the effect of other antiulcer agents such as CIMETIDINE and RANITIDINE. It is generally well tolerated by patients. | 2 | 1 | 0 | pyridobenzodiazepine | anti-ulcer drug;
antispasmodic drug;
muscarinic antagonist |
piribedil
Piribedil: A dopamine D2 agonist. It is used in the treatment of parkinson disease, particularly for alleviation of tremor. It has also been used for circulatory disorders and in other applications as a D2 agonist. | 2.01 | 1 | 0 | N-arylpiperazine | |
ag 1879
3-(4-chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine: Fyn kinase inhibitor | 2.89 | 3 | 0 | aromatic amine;
monochlorobenzenes;
pyrazolopyrimidine | beta-adrenergic antagonist;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector |
promazine
Promazine: A phenothiazine with actions similar to CHLORPROMAZINE but with less antipsychotic activity. It is primarily used in short-term treatment of disturbed behavior and as an antiemetic.. promazine : A phenothiazine deriative in which the phenothiazine tricycle has a 3-(dimethylaminopropyl) group at the N-10 position. | 2 | 1 | 0 | phenothiazines;
tertiary amine | antiemetic;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
H1-receptor antagonist;
muscarinic antagonist;
phenothiazine antipsychotic drug;
serotonergic antagonist |
pyrilamine
Pyrilamine: A histamine H1 antagonist. It has mild hypnotic properties and some local anesthetic action and is used for allergies (including skin eruptions) both parenterally and locally. It is a common ingredient of cold remedies.. mepyramine : An ethylenediamine derivative that is ethylenediamine in which one of the amino nitrogens is substituted by two methyl groups and the remaining amino nitrogen is substituted by a 4-methoxybenzyl and a pyridin-2-yl group. | 2 | 1 | 0 | aromatic ether;
ethylenediamine derivative | H1-receptor antagonist |
3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
[no description available] | 2.59 | 2 | 0 | indoles | |
ranitidine
[no description available] | 2 | 1 | 0 | aralkylamine | |
ro 31-8220
Ro 31-8220: a protein kinase C inhibitor | 2.89 | 3 | 0 | imidothiocarbamic ester;
indoles;
maleimides | EC 2.7.11.13 (protein kinase C) inhibitor |
ropinirole
[no description available] | 2.89 | 3 | 0 | indolones;
tertiary amine | antidyskinesia agent;
antiparkinson drug;
central nervous system drug;
dopamine agonist |
vorinostat
Vorinostat: A hydroxamic acid and anilide derivative that acts as a HISTONE DEACETYLASE inhibitor. It is used in the treatment of CUTANEOUS T-CELL LYMPHOMA and SEZARY SYNDROME.. vorinostat : A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL). | 2.89 | 3 | 0 | dicarboxylic acid diamide;
hydroxamic acid | antineoplastic agent;
apoptosis inducer;
EC 3.5.1.98 (histone deacetylase) inhibitor |
sulpiride
Sulpiride: A dopamine D2-receptor antagonist. It has been used therapeutically as an antidepressant, antipsychotic, and as a digestive aid. (From Merck Index, 11th ed). sulpiride : A member of the class of benzamides obtained from formal condensation between the carboxy group of 2-methoxy-5-sulfamoylbenzoic acid and the primary amino group of (1-ethylpyrrolidin-2-yl)methylamine. | 2 | 1 | 0 | benzamides;
N-alkylpyrrolidine;
sulfonamide | antidepressant;
antiemetic;
antipsychotic agent;
dopaminergic antagonist |
talipexole
talipexole: dopamine receptor agonist; structure given in first source | 1.99 | 1 | 0 | azepine | |
thioridazine
Thioridazine: A phenothiazine antipsychotic used in the management of PHYCOSES, including SCHIZOPHRENIA.. thioridazine : A phenothiazine derivative having a methylsulfanyl subsitituent at the 2-position and a (1-methylpiperidin-2-yl)ethyl] group at the N-10 position. | 2 | 1 | 0 | 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 |
2-[4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine
[no description available] | 2.59 | 2 | 0 | stilbenoid | |
trifluperidol
Trifluperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It is used in the treatment of PSYCHOSES including MANIA and SCHIZOPHRENIA. (From Martindale, The Extra Pharmacopoeia, 30th ed, p621) | 2.15 | 1 | 0 | aromatic ketone | |
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole
3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole: antineoplastic; activates platelet guanylate cyclase; a radiosensitizing agent and guanylate cyclase activator; structure in first source. lificiguat : A member of the class of indazoles that is 1H-indazole which is substituted by a benzyl group at position 1 and a 5-(hydroxymethyl)-2-furyl group at position 3. It is an activator of soluble guanylate cyclase and inhibits platelet aggregation. | 2.89 | 3 | 0 | aromatic primary alcohol;
furans;
indazoles | antineoplastic agent;
apoptosis inducer;
platelet aggregation inhibitor;
soluble guanylate cyclase activator;
vasodilator agent |
zotepine
zotepine: structure | 2.89 | 3 | 0 | dibenzothiepine;
tertiary amino compound | alpha-adrenergic drug;
second generation antipsychotic;
serotonergic drug |
corticosterone
[no description available] | 2 | 1 | 0 | 11beta-hydroxy steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid;
glucocorticoid;
primary alpha-hydroxy ketone | human metabolite;
mouse metabolite |
reserpine
Reserpine: An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. Reserpine inhibits the uptake of norepinephrine into storage vesicles resulting in depletion of catecholamines and serotonin from central and peripheral axon terminals. It has been used as an antihypertensive and an antipsychotic as well as a research tool, but its adverse effects limit its clinical use.. reserpine : An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. | 2.39 | 2 | 0 | alkaloid ester;
methyl ester;
yohimban alkaloid | adrenergic uptake inhibitor;
antihypertensive agent;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
first generation antipsychotic;
plant metabolite;
xenobiotic |
aldosterone
[no description available] | 2 | 1 | 0 | 11beta-hydroxy steroid;
18-oxo steroid;
20-oxo steroid;
21-hydroxy steroid;
3-oxo-Delta(4) steroid;
C21-steroid hormone;
mineralocorticoid;
primary alpha-hydroxy ketone;
steroid aldehyde | human metabolite;
mouse metabolite |
apomorphine
Apomorphine: A derivative of morphine that is a dopamine D2 agonist. It is a powerful emetic and has been used for that effect in acute poisoning. It has also been used in the diagnosis and treatment of parkinsonism, but its adverse effects limit its use. | 3.24 | 6 | 0 | aporphine alkaloid | alpha-adrenergic drug;
antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
emetic;
serotonergic drug |
levodopa
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.. L-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 | 3.78 | 2 | 1 | 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 |
colchicine
(S)-colchicine : A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions. | 2.89 | 3 | 0 | alkaloid;
colchicine | anti-inflammatory agent;
gout suppressant;
mutagen |
benziodarone
benziodarone: minor descriptor (75-89); on-line & INDEX MEDICUS search BENZOFURANS (68-89) & IODOBENZOATES (74) | 2.89 | 3 | 0 | aromatic ketone | |
cyclizine
Cyclizine: A histamine H1 antagonist given by mouth or parenterally for the control of postoperative and drug-induced vomiting and in motion sickness. (From Martindale, The Extra Pharmacopoeia, 30th ed, p935). cyclizine : An N-alkylpiperazine in which one nitrogen of the piperazine ring is substituted by a methyl group, while the other is substituted by a diphenylmethyl group. | 2.21 | 1 | 0 | N-alkylpiperazine | antiemetic;
central nervous system depressant;
cholinergic antagonist;
H1-receptor antagonist;
local anaesthetic |
4-butyrolactone
4-Butyrolactone: One of the FURANS with a carbonyl thereby forming a cyclic lactone. It is an endogenous compound made from gamma-aminobutyrate and is the precursor of gamma-hydroxybutyrate. It is also used as a pharmacological agent and solvent.. tetrahydrofuranone : Any oxolane having an oxo- substituent at any position on the tetrahydrofuran ring.. gamma-butyrolactone : A butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2. | 2.38 | 2 | 0 | butan-4-olide | metabolite;
neurotoxin |
trehalose
alpha,alpha-trehalose : A trehalose in which both glucose residues have alpha-configuration at the anomeric carbon. | 2.89 | 3 | 0 | trehalose | Escherichia coli metabolite;
geroprotector;
human metabolite;
mouse metabolite;
Saccharomyces cerevisiae metabolite |
triclocarban
triclocarban: bacteriostat; antiseptic in soaps & other cleansing solns; germicide; structure. triclocarban : A member of the class of phenylureas that is urea substituted by a 4-chlorophenyl group and a 3,4-dichlorophenyl group at positions 1 and 3 respectively. | 2.89 | 3 | 0 | dichlorobenzene;
monochlorobenzenes;
phenylureas | antimicrobial agent;
antiseptic drug;
disinfectant;
environmental contaminant;
xenobiotic |
succinic anhydride
[no description available] | 2 | 1 | 0 | cyclic dicarboxylic anhydride;
tetrahydrofurandione | |
piperidine
[no description available] | 2.02 | 1 | 0 | azacycloalkane;
piperidines;
saturated organic heteromonocyclic parent;
secondary amine | base;
catalyst;
human metabolite;
non-polar solvent;
plant metabolite;
protic solvent;
reagent |
4-tert-octylphenol
4-tert-octylphenol: structure given in first source | 2.89 | 3 | 0 | alkylbenzene | |
ethamivan
ethamivan: minor descriptor (65-72); major descriptor (73-86); on-line search BENZAMIDES (66-86); INDEX MEDICUS search BENZAMIDES (65-72); ETHAMIVAN (73-86). etamivan : Phenol substituted at C-2 and C-4 by a methoxy group and an N,N-diethylaminocarbonyl group respectively. A respiratory stimulant drug related to nikethamide, it has now fallen largely into disuse. | 2.89 | 3 | 0 | methoxybenzenes;
phenols | |
methysergide
Methysergide: An ergot derivative that is a congener of LYSERGIC ACID DIETHYLAMIDE. It antagonizes the effects of serotonin in blood vessels and gastrointestinal smooth muscle, but has few of the properties of other ergot alkaloids. Methysergide is used prophylactically in migraine and other vascular headaches and to antagonize serotonin in the carcinoid syndrome.. methysergide : A synthetic ergot alkaloid, structurally related to the oxytocic agent methylergonovine and to the potent hallucinogen LSD and used prophylactically to reduce the frequency and intensity of severe vascular headaches. | 2.89 | 3 | 0 | ergoline alkaloid | |
emetine
Emetine: The principal alkaloid of ipecac, from the ground roots of Uragoga (or Cephaelis) ipecacuanha or U. acuminata, of the Rubiaceae. It is used as an amebicide in many different preparations and may cause serious cardiac, hepatic, or renal damage and violent diarrhea and vomiting. Emetine inhibits protein synthesis in EUKARYOTIC CELLS but not PROKARYOTIC CELLS.. emetine : A pyridoisoquinoline comprising emetam having methoxy substituents at the 6'-, 7'-, 10- and 11-positions. It is an antiprotozoal agent and emetic. It inhibits SARS-CoV2, Zika and Ebola virus replication and displays antimalarial, antineoplastic and antiamoebic properties. | 2.89 | 3 | 0 | isoquinoline alkaloid;
pyridoisoquinoline | antiamoebic agent;
anticoronaviral agent;
antiinfective agent;
antimalarial;
antineoplastic agent;
antiprotozoal drug;
antiviral agent;
autophagy inhibitor;
emetic;
expectorant;
plant metabolite;
protein synthesis inhibitor |
podophyllotoxin
Podophyllum: A genus of poisonous American herbs, family BERBERIDACEAE. The roots yield PODOPHYLLOTOXIN and other pharmacologically important agents. The plant was formerly used as a cholagogue and cathartic. It is different from the European mandrake, MANDRAGORA. | 2.89 | 3 | 0 | furonaphthodioxole;
lignan;
organic heterotetracyclic compound | antimitotic;
antineoplastic agent;
keratolytic drug;
microtubule-destabilising agent;
plant metabolite;
tubulin modulator |
etonitazene
etonitazene: was heading 1979-94 (see under BENZIMIDAZOLES 1979-90); ETONITAZIN was see ETONITAZENE 1979-94; use BENZIMIDAZOLES to search ETONITAZENE 1979-94; narcotic analgesic similar to morphine in action; used mainly to study narcotic habituation, tolerance, and withdrawal in laboratory animals | 2.89 | 3 | 0 | | |
clothiapine
clothiapine: was heading 1975-94 (was see under DIBENZOTHIAZEPINES 1975-90); CLOTIAPINE was see CLOTHIAPINE 1978-94; use DIBENZOTHIAZEPINES to search CLOTHIAPINE 1975-94; antipsychotic similar to clozapine | 2.89 | 3 | 0 | dibenzothiazepine | |
benperidol
Benperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It has been used in the treatment of aberrant sexual behavior. (From Martindale, The Extra Pharmacopoeia, 30th ed, p567) | 2.89 | 3 | 0 | aromatic ketone | |
7-hydroxychlorpromazine
7-hydroxychlorpromazine: RN given refers to parent cpd | 2.89 | 3 | 0 | phenothiazines | |
camptothecin
NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source | 2.89 | 3 | 0 | delta-lactone;
pyranoindolizinoquinoline;
quinoline alkaloid;
tertiary alcohol | antineoplastic agent;
EC 5.99.1.2 (DNA topoisomerase) inhibitor;
genotoxin;
plant metabolite |
thenalidine
thenalidine: antihistaminic, antipruritic; RN in Chemline for thenalidine calcium: 67250-62-8; structure | 2.89 | 3 | 0 | dialkylarylamine;
tertiary amino compound | |
lisuride
Lisuride: An ergot derivative that acts as an agonist at dopamine D2 receptors (DOPAMINE AGONISTS). It may also act as an antagonist at dopamine D1 receptors, and as an agonist at some serotonin receptors (SEROTONIN RECEPTOR AGONISTS). | 2.01 | 1 | 0 | monocarboxylic acid amide | antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
serotonergic agonist |
bromocriptine
Bromocriptine: A semisynthetic ergotamine alkaloid that is a dopamine D2 agonist. It suppresses prolactin secretion. | 3.02 | 4 | 0 | indole alkaloid | antidyskinesia agent;
antiparkinson drug;
dopamine agonist;
hormone antagonist |
dexchlorpheniramine
dexchlorpheniramine: RN given refers to parent cpd(S)-isomer | 2.89 | 3 | 0 | chlorphenamine | |
dv 1006
[no description available] | 2.89 | 3 | 0 | | |
climbazole
1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one : A ketone that is butan-2-one substituted by a 4-chlorophenoxy and a 1H-imidazol-1-yl group at position 1 and 2 methyl groups at position 3. | 2.89 | 3 | 0 | aromatic ether;
hemiaminal ether;
imidazoles;
ketone;
monochlorobenzenes | |
carbidopa
[no description available] | 2 | 1 | 0 | catechols;
hydrate;
hydrazines;
monocarboxylic acid | antidyskinesia agent;
antiparkinson drug;
dopaminergic agent;
EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor |
triadimenol
triadimenol : A member of the class of triazoles that is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-1,2-diol substituted at position O1 by a 4-chlorophenyl group. A fungicide for cereals, beet and brassicas used to control a range of diseases including powdery mildew, rusts, bunts and smuts. | 2.89 | 3 | 0 | aromatic ether;
conazole fungicide;
hemiaminal ether;
monochlorobenzenes;
secondary alcohol;
triazole fungicide | antifungal agrochemical;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor;
xenobiotic metabolite |
pergolide
Pergolide: A long-acting dopamine agonist which has been used to treat PARKINSON DISEASE and HYPERPROLACTINEMIA but withdrawn from some markets due to potential for HEART VALVE DISEASES.. pergolide : A diamine that is ergoline in which the beta-hydrogen at position 8 is replaced by a (methylthio)methyl group and the hydrogen attached to the piperidine nitrogen (position 6) is replaced by a propyl group. A dopamine D2 receptor agonist which also has D1 and D2 agonist properties, it is used as the mesylate salt in the management of Parkinson's disease, although it was withdrawn from the U.S. and Canadian markets in 2007 due to an increased risk of cardiac valve dysfunction. | 2.01 | 1 | 0 | diamine;
methyl sulfide;
organic heterotetracyclic compound | antiparkinson drug;
dopamine agonist |
tiotidine
tiotidine: UD gives slightly different structure for this cpd; RN given refers to parent cpd; structure in first source | 2 | 1 | 0 | thiazoles | |
amonafide
xanafide: salt formulation of amonafide; DNA-intercalating agent and topoisomerase II inhibitor | 2.89 | 3 | 0 | isoquinolines | |
pefloxacin
Pefloxacin: A synthetic broad-spectrum fluoroquinolone antibacterial agent active against most gram-negative and gram-positive bacteria.. pefloxacin : A quinolone that is 4-oxo-1,4-dihydroquinoline which is substituted at positions 1, 3, 6 and 7 by ethyl, carboxy, fluorine, and 4-methylpiperazin-1-yl groups, respectively. | 2 | 1 | 0 | fluoroquinolone antibiotic;
monocarboxylic acid;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone | antibacterial drug;
antiinfective agent;
DNA synthesis inhibitor |
flupirtine
flupirtine: RN given refers to parent cpd without isomeric designation | 2.89 | 3 | 0 | aminopyridine | |
chaetochromin
chaetochromin: from Chaetomium spp.; RN given refers to chaetochromin A | 2.89 | 3 | 0 | | |
enoximone
Enoximone: 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. | 2.89 | 3 | 0 | aromatic ketone | |
quinpirole
Quinpirole: A dopamine D2/D3 receptor agonist.. quinpirole : A pyrazoloquinoline that is (4aR,8aR)-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrazolo[3,4-g]quinoline substituted by a propyl group at position 5. It acts as a dopamine agonist. | 2.41 | 2 | 0 | pyrazoloquinoline | dopamine agonist |
cabergoline
Cabergoline: An ergoline derivative and dopamine D2-agonist that inhibits PROLACTIN secretion. It is used in the management of HYPERPROLACTINEMIA, and to suppress lactation following childbirth for medical reasons. Cabergoline is also used in the management of PARKINSON DISEASE.. cabergoline : An N-acylurea that is (8R)-ergoline-8-carboxamide in which the hydrogen attached to the piperidine nitrogen (position 6) is substituted by an allyl group and the hydrogens attached to the carboxamide nitrogen are substituted by a 3-(dimethylamino)propyl group and an N-ethylcarbamoyl group. A dopamine D2 receptor agonist, cabergoline is used in the management of Parkinson's disease and of disorders associated with hyperprolactinaemia. | 2.01 | 1 | 0 | N-acylurea | antineoplastic agent;
antiparkinson drug;
dopamine agonist |
temelastine
[no description available] | 2 | 1 | 0 | pyrimidone | |
difloxacin
difloxacin: RN & structure given in first source. difloxacin : A quinolone that is pefloxacin in which the ethyl group at position 1 of the quinolone has been replaced by a p-fluorophenyl group. A broad-spectrum antibiotic effective against both Gram-positive and Gram-negative bacteria, it is used (usually as the monohydrochloride salt) for the treatment of bacterial infections in dogs. | 2 | 1 | 0 | fluoroquinolone antibiotic;
monocarboxylic acid;
monofluorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
quinolone antibiotic;
quinolone | antibacterial drug;
Mycoplasma genitalium metabolite |
ipsapirone
[no description available] | 2.02 | 1 | 0 | N-arylpiperazine | |
carmoxirole
carmoxirole : An indolecarboxylic acid that is indole-5-carboxylic acid bearing an additional 4-(4-phenyl-1,2,3,6-tetrahydropyridin-1-yl)butyl substituent at position 3. Selective, peripherally acting dopamine D2 receptor agonist. Modulates noradrenalin release and sympathetic activation. Displays antihypertensive properties in vivo. | 2 | 1 | 0 | indolecarboxylic acid;
tertiary amino compound;
tetrahydropyridine | antihypertensive agent;
dopamine agonist;
platelet aggregation inhibitor |
rufloxacin
rufloxacin: structure in first source | 2 | 1 | 0 | fluoroquinolone antibiotic;
quinolines;
quinolone antibiotic | |
sparfloxacin
[no description available] | 2 | 1 | 0 | fluoroquinolone antibiotic;
N-arylpiperazine;
quinolinemonocarboxylic acid;
quinolone antibiotic;
quinolone | |
aripiprazole
Aripiprazole: A piperazine and quinolone derivative that is used primarily as an antipsychotic agent. It is a partial agonist of SEROTONIN RECEPTOR, 5-HT1A and DOPAMINE D2 RECEPTORS, where it also functions as a post-synaptic antagonist, and an antagonist of SEROTONIN RECEPTOR, 5-HT2A. It is used for the treatment of SCHIZOPHRENIA and BIPOLAR DISORDER, and as an adjunct therapy for the treatment of depression.. aripiprazole : An N-arylpiperazine that is piperazine substituted by a 4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl group at position 1 and by a 2,3-dichlorophenyl group at position 4. It is an antipsychotic drug used for the treatment of Schizophrenia, and other mood disorders. | 2.89 | 3 | 0 | aromatic ether;
delta-lactam;
dichlorobenzene;
N-alkylpiperazine;
N-arylpiperazine;
quinolone | drug metabolite;
H1-receptor antagonist;
second generation antipsychotic;
serotonergic agonist |
aloxistatin
aloxistatin: a membrane-permeable cysteine protease inhibitor. aloxistatin : An L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of (2S,3S)-3-(ethoxycarbonyl)oxirane-2-carboxylic acid with the amino group of N-(3-methylbutyl)-L-leucinamide. | 2.21 | 1 | 0 | epoxide;
ethyl ester;
L-leucine derivative;
monocarboxylic acid amide | anticoronaviral agent;
cathepsin B inhibitor |
indocate
[no description available] | 2.89 | 3 | 0 | | |
carebastine
carebastine: active carboxylic acid metablite of ebastine; structure given in first source | 2 | 1 | 0 | diarylmethane | |
N(4)-acetylsulfathiazole
N(4)-acetylsulfathiazole : A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 1,3-thiazol-2-yl group at the nitrogen atom. It is a metabolite of sulfathiazole. | 2.89 | 3 | 0 | 1,3-thiazoles;
acetamides;
sulfonamide | marine xenobiotic metabolite |
cyclizine hydrochloride
[no description available] | 2.59 | 2 | 0 | | |
2,3-trimethylene-4-quinazolone
2,3-trimethylene-4-quinazolone: structure in first source | 2.89 | 3 | 0 | quinazolines | |
1,3-dimethyluric acid
1,3-dimethyluric acid : An oxopurine that is 7,9-dihydro-1H-purine-2,6,8(3H)-trionesubstituted by methyl groups at N-1 and N-3. | 2.89 | 3 | 0 | oxopurine | metabolite |
danofloxacin
[no description available] | 2.89 | 3 | 0 | quinolines | |
nitrefazole
[no description available] | 2.89 | 3 | 0 | imidazoles | |
methotrimeprazine
Methotrimeprazine: A phenothiazine with pharmacological activity similar to that of both CHLORPROMAZINE and PROMETHAZINE. It has the histamine-antagonist properties of the antihistamines together with CENTRAL NERVOUS SYSTEM effects resembling those of chlorpromazine. (From Martindale, The Extra Pharmacopoeia, 30th ed, p604). methotrimeprazine : A member of the class of phenothiazines that is 10H-phenothiazine substituted by a (2R)-3-(dimethylamino)-2-methylpropyl group and a methoxy group at positions 10 and 2 respectively. | 2.89 | 3 | 0 | phenothiazines;
tertiary amine | anticoronaviral agent;
cholinergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
non-narcotic analgesic;
phenothiazine antipsychotic drug;
serotonergic antagonist |
honokiol
[no description available] | 2.89 | 3 | 0 | biphenyls | |
9-methoxyellipticine
9-methoxyellipticine: RN given refers to parent cpd | 2.89 | 3 | 0 | | |
3-aminophenoxazone
3-aminophenoxazone: also inhibits sulfatase; structure | 2.89 | 3 | 0 | phenoxazine | |
3-deazaneplanocin
3-deazaneplanocin: S-adenosylhomocysteine hydrolase antagonist | 2.89 | 3 | 0 | | |
tryptanthrine
tryptanthrine: minor constituent of traditional Chinese medicine qing dai | 2.89 | 3 | 0 | alkaloid antibiotic;
organic heterotetracyclic compound;
organonitrogen heterocyclic compound | |
2-chlorodiazepam
[no description available] | 2.89 | 3 | 0 | | |
Polycartine B
[no description available] | 2.89 | 3 | 0 | phenazines | |
rivastigmine
[no description available] | 2 | 1 | 0 | carbamate ester;
tertiary amino compound | cholinergic drug;
EC 3.1.1.8 (cholinesterase) inhibitor;
neuroprotective agent |
aminoquinuride dihydrochloride
[no description available] | 2.89 | 3 | 0 | | |
cp094
1,2-diethyl-3-hydroxypyridin-4-one: structure given in first source | 2 | 1 | 0 | | |
sk&f 95282
zolantidine: structure given in first source | 2 | 1 | 0 | piperidines | |
thioproperazine mesylate
[no description available] | 2.89 | 3 | 0 | phenothiazines | |
n(6)-(delta(2)-isopentenyl)adenine
N(6)-dimethylallyladenine : A 6-isopentenylaminopurine in which has the isopentenyl double bond is located between the 2 and 3 positions of the isopentenyl group. | 2.89 | 3 | 0 | 6-isopentenylaminopurine | cytokinin |
cp 41
CP 41: structure in first source | 2 | 1 | 0 | | |
1-ethyl-2-methyl-3-hydroxypyridin-4-one
[no description available] | 2 | 1 | 0 | | |
4-methyl-N-(phenylmethyl)benzenesulfonamide
[no description available] | 2.89 | 3 | 0 | sulfonamide | |
zpck
ZPCK: alkylates histidine residue at active center of bovine chymotrypsin | 2.63 | 2 | 0 | | |
sr141716
[no description available] | 2.89 | 3 | 0 | amidopiperidine;
carbohydrazide;
dichlorobenzene;
monochlorobenzenes;
pyrazoles | anti-obesity agent;
appetite depressant;
CB1 receptor antagonist |
(6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide
[no description available] | 2.59 | 2 | 0 | aromatic ketone | |
fingolimod
fingolimod : An aminodiol that consists of propane-1,3-diol having amino and 2-(4-octylphenyl)ethyl substituents at the 2-position. It is a sphingosine 1-phosphate receptor modulator used for the treatment of relapsing-remitting multiple sclerosis. A prodrug, fingolimod is phosphorylated by sphingosine kinase to active metabolite fingolimod-phosphate, a structural analogue of sphingosine 1-phosphate. | 2.89 | 3 | 0 | aminodiol;
primary amino compound | antineoplastic agent;
CB1 receptor antagonist;
immunosuppressive agent;
prodrug;
sphingosine-1-phosphate receptor agonist |
tesmilifene
[no description available] | 2.89 | 3 | 0 | diarylmethane | |
way 100135
WAY 100135: a selective antagonist at presynaptic & postsynaptic 5-HT(1A) receptors; structure given in first source | 1.99 | 1 | 0 | piperazines | |
sr 27897
SR 27897: structure given in first source; a CCK(A) receptor antagonist | 2.89 | 3 | 0 | indolyl carboxylic acid | |
levalbuterol
Levalbuterol: The R-isomer of albuterol. | 2 | 1 | 0 | albuterol | |
n-(n-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine
N-(N-(3-carboxyoxirane-2-carbonyl)leucyl)isoamylamine: inhibits calcium-activated neutral protease; see also record for E-64; RN given refers to (2-S-(2alpha,3beta)(R*)-isomer) | 2.89 | 3 | 0 | leucine derivative | |
norketamine
norketamine: metabolite of ketamine; RN given refers to cpd without isomeric designation | 2.89 | 3 | 0 | organochlorine compound | |
indatraline
indatraline: RN given for (trans)-isomer; structure in first source | 2.63 | 2 | 0 | indanes | |
methotrexate
[no description available] | 2.89 | 3 | 0 | dicarboxylic acid;
monocarboxylic acid amide;
pteridines | abortifacient;
antimetabolite;
antineoplastic agent;
antirheumatic drug;
dermatologic drug;
DNA synthesis inhibitor;
EC 1.5.1.3 (dihydrofolate reductase) inhibitor;
immunosuppressive agent |
salvinorin a
salvinorin A: from the herb, Salvia divinorum | 2.21 | 1 | 0 | organic heterotricyclic compound;
organooxygen compound | metabolite;
oneirogen |
4-diethoxyphosphorylmethyl-n-(4-bromo-2-cyanophenyl)benzamide
4-diethoxyphosphorylmethyl-N-(4-bromo-2-cyanophenyl)benzamide: increases lipoprotein lipase activity with resulting elevation of high density lipoprotein cholesterol | 2.89 | 3 | 0 | | |
n,n-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide
N,N-di-n-hexyl-2-(4-fluorophenyl)indole-3-acetamide: binds with high affinity to glial mitochondrial diazepam binding inhibitor receptors & increases mitochondrial steroidogenesis | 2.89 | 3 | 0 | phenylindole | |
l 741626
3-(4-(4-chlorophenyl-4-hydroxypiperidino)methyl)indole: structure in first source | 2.89 | 3 | 0 | piperidines | |
dx 8951
[no description available] | 2.89 | 3 | 0 | pyranoindolizinoquinoline | |
tipifarnib
[no description available] | 2.89 | 3 | 0 | imidazoles;
monochlorobenzenes;
primary amino compound;
quinolone | antineoplastic agent;
apoptosis inducer;
EC 2.5.1.58 (protein farnesyltransferase) inhibitor |
cyc 202
seliciclib : 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. | 2.89 | 3 | 0 | 2,6-diaminopurines | antiviral drug;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
avasimibe
[no description available] | 2.89 | 3 | 0 | monoterpenoid | |
l 163191
[no description available] | 2.89 | 3 | 0 | | |
asimadoline
asimadoline: structure in first source | 2 | 1 | 0 | | |
dizocilpine
[no description available] | 2.89 | 3 | 0 | secondary amino compound;
tetracyclic antidepressant | anaesthetic;
anticonvulsant;
neuroprotective agent;
nicotinic antagonist;
NMDA receptor antagonist |
s-benzylcysteine
[no description available] | 2.89 | 3 | 0 | S-aryl-L-cysteine zwitterion | |
chelidonine
chelidonine: benzophenanthridine derived from scoulerine from Chelidonium majus; RN given refers to parent cpd (chelidonine, (5bR-(5balpha,6beta,12alpha))-isomer) | 2.89 | 3 | 0 | alkaloid antibiotic;
alkaloid fundamental parent;
benzophenanthridine alkaloid | |
lapatinib
[no description available] | 2.89 | 3 | 0 | furans;
organochlorine compound;
organofluorine compound;
quinazolines | antineoplastic agent;
tyrosine kinase inhibitor |
conidendrin
[no description available] | 2.89 | 3 | 0 | | |
Porfiromycine
[no description available] | 2.89 | 3 | 0 | mitomycin | |
nsc 95397
[no description available] | 2.89 | 3 | 0 | 1,4-naphthoquinones | |
4-methyl-2-quinazolinamine
4-methyl-2-quinazolinamine: from Streptomyces of TCM plant; structure in first source | 2.89 | 3 | 0 | | |
2-glycineamide-5-chlorophenyl-2-pyrryl ketone
[no description available] | 2.89 | 3 | 0 | | |
niguldipine hydrochloride
[no description available] | 2.63 | 2 | 0 | | |
2,5-bis(5-hydroxymethyl-2-thienyl)furan
[no description available] | 2.89 | 3 | 0 | thiophenes | |
ritonavir
Ritonavir: An HIV protease inhibitor that works by interfering with the reproductive cycle of HIV. It also inhibits CYTOCHROME P-450 CYP3A.. ritonavir : An L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver. | 2.89 | 3 | 0 | 1,3-thiazoles;
carbamate ester;
carboxamide;
L-valine derivative;
ureas | antiviral drug;
environmental contaminant;
HIV protease inhibitor;
xenobiotic |
bardoxolone methyl
methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate: structure in first source | 2.21 | 1 | 0 | cyclohexenones | |
Destruxin B
[no description available] | 2.89 | 3 | 0 | cyclodepsipeptide | |
tosylphenylalanyl chloromethyl ketone
Tosylphenylalanyl Chloromethyl Ketone: An inhibitor of Serine Endopeptidases. Acts as alkylating agent and is known to interfere with the translation process.. N-tosyl-L-phenylalanyl chloromethyl ketone : The N-tosyl derivative of L-phenylalanyl chloromethyl ketone. | 2.89 | 3 | 0 | alpha-chloroketone;
sulfonamide | alkylating agent;
serine proteinase inhibitor |
devazepide
Devazepide: A derivative of benzodiazepine that acts on the cholecystokinin A (CCKA) receptor to antagonize CCK-8's (SINCALIDE) physiological and behavioral effects, such as pancreatic stimulation and inhibition of feeding.. devazepide : An indolecarboxamide obtained by formal condensation of the carboxy group of indole-2-carboxylic acid with the exocyclic amino group of (3S)-3-amino-1-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one. A cholecystokinin antagonist used for treatment of gastrointestinal disorders. | 2 | 1 | 0 | 1,4-benzodiazepinone;
indolecarboxamide | antineoplastic agent;
apoptosis inducer;
cholecystokinin antagonist;
gastrointestinal drug |
dironyl
dironyl: pronounced antifertility agent in rats; lactation suppressor in other species; serotonin antagonist; RN given refers to parent cpd; structure | 2.01 | 1 | 0 | organic molecular entity | |
trichostatin a
trichostatin A: chelates zinc ion in the active site of histone deacetylases, resulting in preventing histone unpacking so DNA is less available for transcription; do not confuse with TRICHOSANTHIN which is a protein; found in STREPTOMYCES | 2.21 | 1 | 0 | antibiotic antifungal agent;
hydroxamic acid;
trichostatin | bacterial metabolite;
EC 3.5.1.98 (histone deacetylase) inhibitor;
geroprotector |
sitafloxacin
[no description available] | 2.21 | 1 | 0 | fluoroquinolone antibiotic;
quinolines;
quinolone antibiotic | |
2'-c-methylcytidine
2'-C-methylcytidine: structure in first source | 2.89 | 3 | 0 | | |
jp-1302
[no description available] | 2.89 | 3 | 0 | | |
7-chloro-5,10-dihydrothieno[3,4-b][1,5]benzodiazepin-4-one
[no description available] | 2.89 | 3 | 0 | benzodiazepine | |
tenatoprazole
Tenatoprazole: structure in first source | 2.89 | 3 | 0 | imidazopyridine | |
s 1033
[no description available] | 2.89 | 3 | 0 | (trifluoromethyl)benzenes;
imidazoles;
pyridines;
pyrimidines;
secondary amino compound;
secondary carboxamide | anticoronaviral agent;
antineoplastic agent;
tyrosine kinase inhibitor |
5-[(2-fluoroanilino)methyl]-8-quinolinol
[no description available] | 2.89 | 3 | 0 | hydroxyquinoline | |
benidipine hydrochloride
[no description available] | 2.59 | 2 | 0 | | |
benidipine
benidipine: RN refers to (R*,R*)-(+-)-isomer | 2.21 | 1 | 0 | | |
2-(1,3-benzoxazol-2-ylamino)-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]one
[no description available] | 2.89 | 3 | 0 | quinazolines | |
chlorprothixene
(E)-chlorprothixene : A chlorprothixene in which the double bond adopts an (E)-configuration. | 2.89 | 3 | 0 | chlorprothixene | |
jrf 12
N2,N4-dibenzylquinazoline-2,4-diamine: a selective, potent, reversible, and ATP-competitive p97 inhibitor | 2.89 | 3 | 0 | | |
5-amino-3-(4-methoxyphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester
[no description available] | 2.89 | 3 | 0 | methoxybenzenes;
substituted aniline | |
3-hydroxypyridine, sodium salt
[no description available] | 2.89 | 3 | 0 | | |
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-naphthalenecarboxamide
[no description available] | 2.89 | 3 | 0 | naphthalenecarboxamide | |
5-[(2-bromoanilino)methyl]-8-quinolinol
[no description available] | 2.89 | 3 | 0 | hydroxyquinoline | |
3-amino-n-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide
3-amino-N-(4-methoxybenzyl)-4,6-dimethylthieno(2,3-b)pyridine-2-carboxamide: structure in first source | 2.89 | 3 | 0 | | |
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline
[no description available] | 2.89 | 3 | 0 | aromatic amine | |
1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinecarboxamide
[no description available] | 2.89 | 3 | 0 | piperidinecarboxamide | |
5-[[2-(trifluoromethyl)anilino]methyl]-8-quinolinol
[no description available] | 2.89 | 3 | 0 | hydroxyquinoline | |
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-4-thiazolyl]phenyl]acetamide
[no description available] | 2.89 | 3 | 0 | acetamides;
anilide | |
5-bromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide
[no description available] | 2.89 | 3 | 0 | aromatic amide;
thiophenes | |
6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-4-pyrimidinone
[no description available] | 2.89 | 3 | 0 | dimethoxybenzene | |
N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide
[no description available] | 2.89 | 3 | 0 | aromatic amide | |
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide
[no description available] | 2.89 | 3 | 0 | aromatic ether | |
3-chloro-1-(2,5-dimethoxyphenyl)-4-(1-piperidinyl)pyrrole-2,5-dione
[no description available] | 2.89 | 3 | 0 | maleimides | |
Src Inhibitor-1
Src Inhibitor-1 : A member of the class of quinazolines that is quinazoline which is substituted at position 4 by a p-phenoxyanilino group and at positions 6 and 7 by methoxy groups. It is a potent, competitive dual site (both the ATP- and peptide-binding) Src kinase inhibitor. Src Inhibitor-1 is one of the 'gold standards' for Src kinase inhibition that has been shown to use PP1 or PP2 in parallel with Src-I1 to inhbit Src family kinases. | 2.89 | 3 | 0 | aromatic ether;
polyether;
quinazolines;
secondary amino compound | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
[no description available] | 2.89 | 3 | 0 | dimethoxybenzene | |
2-phenyl-N-[4-(2-thiazolylsulfamoyl)phenyl]-4-quinolinecarboxamide
[no description available] | 2.89 | 3 | 0 | quinolines | |
3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
[no description available] | 2.89 | 3 | 0 | pyrroles | |
bi-78d3
[no description available] | 2.89 | 3 | 0 | aryl sulfide | |
kartogenin
kartogenin: promotes chondrocyte differentiation; structure in first source | 2.89 | 3 | 0 | | |
thiopental
Thiopental: A barbiturate that is administered intravenously for the induction of general anesthesia or for the production of complete anesthesia of short duration.. thiopental : A barbiturate, the structure of which is that of 2-thiobarbituric acid substituted at C-5 by ethyl and sec-pentyl groups. | 2 | 1 | 0 | barbiturates | anticonvulsant;
drug allergen;
environmental contaminant;
intravenous anaesthetic;
sedative;
xenobiotic |
toremifene
Toremifene: A first generation selective estrogen receptor modulator (SERM). Like TAMOXIFEN, it is an estrogen agonist for bone tissue and cholesterol metabolism but is antagonistic on mammary and uterine tissue. | 2.21 | 1 | 0 | aromatic ether;
organochlorine compound;
tertiary amine | antineoplastic agent;
bone density conservation agent;
estrogen antagonist;
estrogen receptor modulator |
u-50488
3,4-Dichloro-N-methyl-N-(2-(1-pyrrolidinyl)-cyclohexyl)-benzeneacetamide, (trans)-Isomer: A non-peptide, kappa-opioid receptor agonist which has also been found to stimulate the release of adrenocorticotropin (ADRENOCORTICOTROPIC HORMONE) via the release of hypothalamic arginine vasopressin (ARGININE VASOPRESSIN) and CORTICOTROPIN-RELEASING HORMONE. (From J Pharmacol Exp Ther 1997;280(1):416-21). U50488 : A monocarboxylic acid amide obtained by formal condensation between the carboxy group of 3,4-dichlorophenylacetic acid and the secondary amino group of (1R,2R)-N-methyl-2-(pyrrolidin-1-yl)cyclohexanamine | 2 | 1 | 0 | dichlorobenzene;
monocarboxylic acid amide;
N-alkylpyrrolidine | analgesic;
antitussive;
calcium channel blocker;
diuretic;
kappa-opioid receptor agonist |
vx-745
[no description available] | 2.89 | 3 | 0 | aryl sulfide;
dichlorobenzene;
difluorobenzene;
pyrimidopyridazine | anti-inflammatory drug;
apoptosis inducer;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
dasatinib
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. dasatinib (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). | 2.89 | 3 | 0 | 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 |
zd 6474
CH 331: structure in first source | 2.89 | 3 | 0 | aromatic ether;
organobromine compound;
organofluorine compound;
piperidines;
quinazolines;
secondary amine | antineoplastic agent;
tyrosine kinase inhibitor |
ici 199441
[no description available] | 2 | 1 | 0 | acetamides | |
tamitinol
[no description available] | 2 | 1 | 0 | | |
N-[2-(diethylamino)ethyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
[no description available] | 2.63 | 2 | 0 | indoles | |
nih-12848
NIH-12848: inhibits phosphatidylinositol 5-phosphate 4-kinase gamma; structure in first source | 2.89 | 3 | 0 | | |
2,4-dioxo-3-pentyl-N-[3-(1-piperidinyl)propyl]-1H-quinazoline-7-carboxamide
[no description available] | 2.89 | 3 | 0 | quinazolines | |
[1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
[no description available] | 2.89 | 3 | 0 | benzimidazoles | |
2-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzonitrile
[no description available] | 2.89 | 3 | 0 | imidazopyridine | |
3-[(3-fluorophenyl)methyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
[no description available] | 2.89 | 3 | 0 | aromatic ketone | |
4-[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]methyl]-1-piperazinecarboxylic acid ethyl ester
[no description available] | 2.89 | 3 | 0 | oxopurine | |
N,N-dimethylcarbamodithioic acid (1-acetamido-2,2,2-trichloroethyl) ester
[no description available] | 2.89 | 3 | 0 | organonitrogen compound;
organosulfur compound | |
6-bromo-2-(4-methylphenyl)-N-[(1-methyl-4-pyrazolyl)methyl]-4-quinolinecarboxamide
[no description available] | 2.89 | 3 | 0 | quinolines | |
LSM-1924
[no description available] | 2.89 | 3 | 0 | organic heterotricyclic compound;
organooxygen compound | |
ferrostatin-1
ferrostatin-1: inhibits ferroptosis, an iron-dependent form of nonapoptotic cell death; structure in first source. ferrostatin-1 : An ethyl ester resulting from the formal condensation of the carboxy group of 3-amino-4-(cyclohexylamino)benzoic acid with ethanol. It is a potent inhibitor of ferroptosis, a distinct non-apoptotic form of cell death caused by lipid peroxidation. It is also a radical-trapping antioxidant and has the ability to reduce the accumulation of lipid peroxides and chain-carrying peroxyl radicals. | 2.89 | 3 | 0 | ethyl ester;
primary arylamine;
substituted aniline | antifungal agent;
antioxidant;
ferroptosis inhibitor;
neuroprotective agent;
radiation protective agent;
radical scavenger |
6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine
[no description available] | 2.89 | 3 | 0 | C-nitro compound | |
lupitidine
[no description available] | 2 | 1 | 0 | | |
rabeprazole(1-)
[no description available] | 2.63 | 2 | 0 | organic nitrogen anion | |
ncgc00099374
[no description available] | 2.89 | 3 | 0 | | |
2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide
[no description available] | 2.89 | 3 | 0 | benzamides | |
luteolin
[no description available] | 2.89 | 3 | 0 | 3'-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 |
cyclosporine
[no description available] | 2.21 | 1 | 0 | | |
kaempferol
[no description available] | 2.89 | 3 | 0 | 7-hydroxyflavonol;
flavonols;
tetrahydroxyflavone | antibacterial agent;
geroprotector;
human blood serum metabolite;
human urinary metabolite;
human xenobiotic metabolite;
plant metabolite |
genistein
[no description available] | 2.89 | 3 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor;
geroprotector;
human urinary metabolite;
phytoestrogen;
plant metabolite;
tyrosine kinase inhibitor |
mycophenolate mofetil
mycophenolate mofetil : A carboxylic ester resulting from the formal condensation between the carboxylic acid group of mycophenolic acid and the hydroxy group of 2-(morpholin-4-yl)ethanol. In the liver, it is metabolised to mycophenolic acid, an immunosuppressant for which it is a prodrug. It is widely used to prevent tissue rejection following organ transplants as well as for the treatment of certain autoimmune diseases. | 2.89 | 3 | 0 | carboxylic ester;
ether;
gamma-lactone;
phenols;
tertiary amino compound | anticoronaviral agent;
EC 1.1.1.205 (IMP dehydrogenase) inhibitor;
immunosuppressive agent;
prodrug |
bruceantin
[no description available] | 2.89 | 3 | 0 | triterpenoid | |
chrysin
chrysin : A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7. | 2.89 | 3 | 0 | 7-hydroxyflavonol;
dihydroxyflavone | anti-inflammatory agent;
antineoplastic agent;
antioxidant;
EC 2.7.11.18 (myosin-light-chain kinase) inhibitor;
hepatoprotective agent;
plant metabolite |
daidzein
[no description available] | 2.89 | 3 | 0 | 7-hydroxyisoflavones | antineoplastic agent;
EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor;
EC 3.2.1.20 (alpha-glucosidase) inhibitor;
phytoestrogen;
plant metabolite |
flupenthixol
cis-flupenthixol : A flupenthixol in which the double bond adopts a cis-configuration. | 2 | 1 | 0 | flupenthixol | dopaminergic antagonist |
neticonazole
neticonazole: RN refers to (E)-isomer. neticonazole : An enamine that is ethene which is substituted at positions 1, 1, and 2 by o-pentoxyphenyl, 1H-imidazol-1-yl, and methylthio groups, respectively (the E isomer). An inhibitor of P450-dependent C-14alpha-demethylation of lanosterol (preventing conversion to ergosterol and inhibiting cell wall synthesis in fungi), it is used in Japan (generally as the corresponding hydrochloride salt) as an antifungal drug for the treatment of superficial skin infections. | 2.89 | 3 | 0 | aromatic ether;
benzenes;
conazole antifungal drug;
enamine;
imidazole antifungal drug;
imidazoles;
methyl sulfide | antifungal drug;
EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor |
N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine
synaptamide: structurally similar to the endocannabinoid N-arachidonoylethanolamine (anandamide). N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoylethanolamine : An N-acylethanolamine 22:6 that is the ethanolamide of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic acid. | 2.89 | 3 | 0 | endocannabinoid;
N-acylethanolamine 22:6 | |
n-oleoylethanolamine
N-oleoylethanolamine: ceramidase inhibitor. oleoyl ethanolamide : An N-(long-chain-acyl)ethanolamine that is the ethanolamide of oleic acid. The monounsaturated analogue of the endocannabinoid anandamide. | 2.89 | 3 | 0 | endocannabinoid;
N-(long-chain-acyl)ethanolamine;
N-acylethanolamine 18:1 | EC 3.5.1.23 (ceramidase) inhibitor;
geroprotector;
PPARalpha agonist |
nalorphine
Nalorphine: A narcotic antagonist with some agonist properties. It is an antagonist at mu opioid receptors and an agonist at kappa opioid receptors. Given alone it produces a broad spectrum of unpleasant effects and it is considered to be clinically obsolete. | 2 | 1 | 0 | morphinane alkaloid | |
naloxone
Naloxone: A specific opiate antagonist that has no agonist activity. It is a competitive antagonist at mu, delta, and kappa opioid receptors.. naloxone : 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. | 2 | 1 | 0 | morphinane alkaloid;
organic heteropentacyclic compound;
tertiary alcohol | antidote to opioid poisoning;
central nervous system depressant;
mu-opioid receptor antagonist |
alpha-zearalenol
[no description available] | 2.89 | 3 | 0 | macrolide | |
morphine
Meconium: The thick green-to-black mucilaginous material found in the intestines of a full-term fetus. It consists of secretions of the INTESTINAL GLANDS; BILE PIGMENTS; FATTY ACIDS; AMNIOTIC FLUID; and intrauterine debris. It constitutes the first stools passed by a newborn. | 2 | 1 | 0 | morphinane alkaloid;
organic heteropentacyclic compound;
tertiary amino compound | anaesthetic;
drug allergen;
environmental contaminant;
geroprotector;
mu-opioid receptor agonist;
opioid analgesic;
plant metabolite;
vasodilator agent;
xenobiotic |
su 9516
[no description available] | 2.89 | 3 | 0 | | |
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
[no description available] | 2.89 | 3 | 0 | triazolopyrimidines | |
sb 277011
SB 277011: structure in first source | 2.89 | 3 | 0 | | |
l 365260
L 365260: a CCK-B antagonist; structure given in first source; potent & selective CCK-B & gastrin receptor ligand; L 365260 and L 365346 are (R)- and (S)-stereoisomers, respectively | 2 | 1 | 0 | benzodiazepine | |
sb 223412
SB 223412: SB-223412 is the (S)-(-)-isomer; RN given for (S)-isomer; structure in first source | 2.89 | 3 | 0 | | |
sr 59230a
[no description available] | 2.89 | 3 | 0 | tetralins | |
3-[6-[4-(trifluoromethoxy)anilino]-4-pyrimidinyl]benzamide
[no description available] | 2.89 | 3 | 0 | pyrimidines | |
kn 62
KN 62: inhibitor of Ca/calmodulin-dependent protein kinase II | 2.89 | 3 | 0 | piperazines | |
MeJA
[no description available] | 2.89 | 3 | 0 | Jasmonate derivatives | |
1h-pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)-
1H-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-: structure in first source | 2.89 | 3 | 0 | | |
pd 161570
PD 161570: structure in first source | 2.89 | 3 | 0 | | |
su 11248
[no description available] | 2.15 | 1 | 0 | monocarboxylic 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 |
palbociclib
[no description available] | 2.89 | 3 | 0 | aminopyridine;
aromatic ketone;
cyclopentanes;
piperidines;
pyridopyrimidine;
secondary amino compound;
tertiary amino compound | antineoplastic agent;
EC 2.7.11.22 (cyclin-dependent kinase) inhibitor |
jnj-7706621
[no description available] | 2.89 | 3 | 0 | sulfonamide | |
levallorphan
Levallorphan: An opioid antagonist with properties similar to those of NALOXONE; in addition it also possesses some agonist properties. It should be used cautiously; levallorphan reverses severe opioid-induced respiratory depression but may exacerbate respiratory depression such as that induced by alcohol or other non-opioid central depressants. (From Martindale, The Extra Pharmacopoeia, 30th ed, p683) | 2 | 1 | 0 | morphinane alkaloid | |
naltrexone
Naltrexone: Derivative of noroxymorphone that is the N-cyclopropylmethyl congener of NALOXONE. It is a narcotic antagonist that is effective orally, longer lasting and more potent than naloxone, and has been proposed for the treatment of heroin addiction. The FDA has approved naltrexone for the treatment of alcohol dependence.. naltrexone : An organic heteropentacyclic compound that is naloxone substituted in which the allyl group attached to the nitrogen is replaced by a cyclopropylmethyl group. A mu-opioid receptor antagonist, it is used to treat alcohol dependence. | 2 | 1 | 0 | cyclopropanes;
morphinane-like compound;
organic heteropentacyclic compound | antidote to opioid poisoning;
central nervous system depressant;
environmental contaminant;
mu-opioid receptor antagonist;
xenobiotic |
morphine-6-glucuronide
morphine-6-glucuronide: RN given refers to (5alpha,6alpha)-isomer | 2 | 1 | 0 | morphinane alkaloid | |
virginiamycin factor s1
virginiamycin factor S1: a component of VIRGINIAMYCIN; was EP to VIRGINIAMYCIN 1992-2001. virginiamycin S1 : A cyclodepsipeptide that is N-(3-hydroxypicolinoyl)-L-threonyl-D-alpha-aminobutyryl-L-prolyl-N-methyl-L-phenylalanyl-4-oxo-L-pipecoloyl-L-2-phenylglycine in which the carboxy group of the 2-phenylglycine moiety has undergone formal intramolecular condensation with the hydroxy group of the N-(3-hydroxypicolinoyl)-L-threonyl to give the corresponding 19-membered ring lactone. It is one of the two major components of the antibacterial drug virginiamycin, produced by Streptomyces virginiae, S. loidensis, S. mitakaensis, S. pristina-spiralis, S. ostreogriseus, and others. | 2.89 | 3 | 0 | cyclodepsipeptide;
macrolide antibiotic | antibacterial drug;
bacterial metabolite |
fenoterol
fenoterol hydrobromide : The hydrobromide salt of fenoterol. A beta2-adrenergic agonist, it is used as a bronchodilator in the management of reversible airway obstruction. | 2.63 | 2 | 0 | hydrobromide | beta-adrenergic agonist;
bronchodilator agent;
sympathomimetic agent |
xib 4035
XIB 4035: a GFRalpha-1 agonist; structure in first source | 2.89 | 3 | 0 | | |
gw-5074
[no description available] | 2.21 | 1 | 0 | | |
belotecan
belotecan: structure in first source | 2.89 | 3 | 0 | pyranoindolizinoquinoline | |
norgestimate
[no description available] | 2.89 | 3 | 0 | ketoxime;
steroid ester;
terminal acetylenic compound | contraceptive drug;
progestin;
synthetic oral contraceptive |
b 43
RK-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). | 2.89 | 3 | 0 | aromatic amine;
aromatic ether;
cyclopentanes;
primary amino compound;
pyrrolopyrimidine | EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
geroprotector |
gr 103545
[no description available] | 2 | 1 | 0 | | |
4-(2' methoxyphenyl)-1-(2'-(n-(2''-pyridinyl)-4-fluorobenzamido)ethyl)piperazine
[no description available] | 2.89 | 3 | 0 | | |
methiazole
methiazole: a parasitostatic agent | 2.89 | 3 | 0 | benzimidazoles;
carbamate ester | |
sb 218795
SB 218795: structure in first source | 2.89 | 3 | 0 | quinolines | |
bvt.948
[no description available] | 2.89 | 3 | 0 | | |
fk 866
N-(4-(1-benzoylpiperidin-4-yl)butyl)-3-(pyridin-3-yl)acrylamide: inhibits nicotinamide phosphoribosyltransferase; structure in first source | 2.21 | 1 | 0 | benzamides;
N-acylpiperidine | |
a 38503
[no description available] | 2.89 | 3 | 0 | | |
parthenolide
[no description available] | 2.58 | 2 | 0 | sesquiterpene lactone | drug allergen;
inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug;
peripheral nervous system drug |
krn 633
N-(2-chloro-4-((6,7-dimethoxy-4-quinazolinyl)oxy)phenyl)-N'-propylurea: a VEGF receptor-2 tyrosine kinase inhibitor; structure in first source | 2.89 | 3 | 0 | | |
5-amino-4-oxo-3-phenyl-1-thieno[3,4-d]pyridazinecarboxylic acid
[no description available] | 2.89 | 3 | 0 | organonitrogen heterocyclic compound;
organosulfur heterocyclic compound | |
gw 501516
GW 501516: a selective PPARdelta agonist; structure in first source. GW 501516 : An aromatic ether that is phenoxyacetic acid in which the phenyl group is substituted at position 2 by a methyl group and at position 4 by a (1,3-thiazol-5-ylmethyl)sulfanediyl group, and in which the 1,3-thiazolyl group is substituted at positions 2 and 4 by p-trifluoromethylphenyl and methyl groups, respectively. | 2.89 | 3 | 0 | 1,3-thiazoles;
aromatic ether;
aryl sulfide;
monocarboxylic acid;
organofluorine compound | carcinogenic agent;
PPARbeta/delta agonist |
dolastatin 10
dolastatin 10: from mollusk Dolabella auricularia; contains four amino acids, dolavaline, dolaisoleucine, dolaproine, valine and the primary amine dolaphenine; deo-dolastatin 10 is a new dolastatin 10 chiral derivative with MW of 784. dolastatin 10 : A tetrapeptide that is isolated from the sea hare Dolabella auricularia. It is a potent anticancer agent which inhibits tubulin polymerization. | 2.89 | 3 | 0 | 1,3-thiazoles;
tetrapeptide | animal metabolite;
antineoplastic agent;
apoptosis inducer;
marine metabolite;
microtubule-destabilising agent |
spc-839
SPC-839: an inhibitor of activator protein 1; structure in first source | 2.89 | 3 | 0 | | |
midostaurin
midostaurin : An organic heterooctacyclic compound that is the N-benzoyl derivative of staurosporine. | 2.89 | 3 | 0 | benzamides;
gamma-lactam;
indolocarbazole;
organic heterooctacyclic compound | antineoplastic agent;
EC 2.7.11.13 (protein kinase C) inhibitor |
valnemulin
[no description available] | 2.63 | 2 | 0 | | |
nu 7026
2-(morpholin-4-yl)benzo(h)chromen-4-one: a radiosensitizing agent that inhibits DNA-dependent protein kinase; structure in first source | 2.89 | 3 | 0 | organic heterotricyclic compound;
organooxygen compound | |
osi 930
OSI 930: inhibits both receptor tyrosine kinase Kit and kinase insert domain receptor; structure in first source | 2.89 | 3 | 0 | aromatic amide | |
ticagrelor
Ticagrelor: An adenosine triphosphate analogue and reversible P2Y12 PURINORECEPTOR antagonist that inhibits ADP-mediated PLATELET AGGREGATION. It is used for the prevention of THROMBOEMBOLISM by patients with ACUTE CORONARY SYNDROME or a history of MYOCARDIAL INFARCTION.. ticagrelor : A triazolopyrimidine that is an adenosine isostere; the cyclopentane ring is similar to ribose and the nitrogen-rich [1,2,3]triazolo[4,5-d]pyrimidine moiety resembles the nucleobase adenine. A platelet aggregation inhibitor which is used for prevention of thromboembolic events in patients with acute coronary syndrome. | 2.89 | 3 | 0 | aryl sulfide;
hydroxyether;
organofluorine compound;
secondary amino compound;
triazolopyrimidines | P2Y12 receptor antagonist;
platelet aggregation inhibitor |
l 692585
[no description available] | 2.89 | 3 | 0 | peptide | |
pi103
PI103: pyridofuropyrimidine antineoplastic; a potent inhibitor of class I phosphatidylinositide 3-kinases (PI3K); structure in first soruce | 2.89 | 3 | 0 | aromatic amine;
morpholines;
organic heterotricyclic compound;
phenols;
tertiary amino compound | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor |
l 365260
[no description available] | 2 | 1 | 0 | | |
nnc 26-9100
NNC 26-9100: structure in first source | 2.89 | 3 | 0 | aminopyridine | |
2-(3-chlorobenzyloxy)-6-(piperazin-1-yl)pyrazine
[no description available] | 2.89 | 3 | 0 | | |
tivozanib
N-(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 source | 2.89 | 3 | 0 | aromatic ether | |
hki 272
[no description available] | 2.21 | 1 | 0 | nitrile;
quinolines | antineoplastic agent;
tyrosine kinase inhibitor |
n-(6-chloro-7-methoxy-9h-beta-carbolin-8-yl)-2-methylnicotinamide
[no description available] | 2.89 | 3 | 0 | | |
tae226
TAE226: an adhesion kinase inhibitor, offers an attractive therapeutic approach in ovarian carcinoma; structure in first source | 2.89 | 3 | 0 | morpholines | |
gw0742
GW 610742: structure in first source | 2.89 | 3 | 0 | monocarboxylic acid | |
u 18666a
3-beta-(2-(diethylamino)ethoxy)androst-5-en-17-one: inhibits cycloartenol synthase. 3beta-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride : A hydrochloride obtained by reaction of 3beta-(2-diethylaminoethoxy)androst-5-en-17-one with one equivalent of hydrochloric acid. It is a cholesterol synthesis and transport inhibitor. | 2.89 | 3 | 0 | hydrochloride | antiviral agent;
EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor;
Hedgehog signaling pathway inhibitor;
nicotinic antagonist;
sterol biosynthesis inhibitor |
sb 525334
6-(2-tert-butyl-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl)quinoxaline: a TGF-betaR kinase inhibitor | 2.89 | 3 | 0 | quinoxaline derivative | |
bx795
BX795: structure in first source | 2.89 | 3 | 0 | ureas | |
azd 6244
AZD 6244: a MEK inhibitor | 2.89 | 3 | 0 | benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound | anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea
1-(2-(1-adamantyl)ethyl)-1-pentyl-3-(3-(4-pyridyl)propyl)urea: structure in first source | 2.89 | 3 | 0 | | |
bay 61-3606
[no description available] | 2.89 | 3 | 0 | pyrimidines | |
sd-208
[no description available] | 2.89 | 3 | 0 | | |
crenolanib
[no description available] | 2.89 | 3 | 0 | aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound | angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
cj 033466
CJ 033466: structure in first source | 2.89 | 3 | 0 | | |
cc 401
CC 401: an anthrapyrazolone | 2.89 | 3 | 0 | pyrazoles;
ring assembly | |
PB28
PB28 : A member of the class of tetralins that is tetralin that is substituted by 3-(4-cyclohexylpiperazin-1-yl)propyl and methoxy groups at positions 1 and 5, respectively. It is a sigma 2 (sigma2) receptor agonist (Ki = 0.68 nM) and exhibits antineoplastic and anti SARS-CoV-2 activities. | 2.89 | 3 | 0 | aromatic ether;
piperazines;
tetralins | anticoronaviral agent;
antineoplastic agent;
apoptosis inducer;
sigma-2 receptor agonist |
arterolane
arterolane: a trioxolane with antimalarial activity; structure in first source. arterolane : An oxaspiro compound that is dispiro[cyclohexane-1,3'-[1,2,4]trioxolane-5',2''-tricyclo[3.3.1.1(3,7)]decane] substituted by a 2-[(2-amino-2-methylpropyl)amino]-2-oxoethyl group at position 4s. Its maleic acid salt is used as an antimalarial drug in combination with piperaquine. | 2.89 | 3 | 0 | | |
cariprazine
cariprazine: Structure in first source. cariprazine : An N-alkylpiperazine that is N,N-dimethyl-N'-{trans-4-[2-(piperazin-1-yl)ethyl]cyclohexyl}urea substituted at position 4 on the piperazine ring by a 2,3-dichlorophenyl group. Used (as the hydrochloride salt) for treatment of schizophrenia and bipolar disorder. | 2.89 | 3 | 0 | | |
krp-203
[no description available] | 2.89 | 3 | 0 | | |
regorafenib
[no description available] | 2.89 | 3 | 0 | (trifluoromethyl)benzenes;
aromatic ether;
monochlorobenzenes;
monofluorobenzenes;
phenylureas;
pyridinecarboxamide | antineoplastic agent;
hepatotoxic agent;
tyrosine kinase inhibitor |
at 7867
[no description available] | 2.89 | 3 | 0 | monochlorobenzenes;
piperidines;
pyrazoles | antineoplastic agent;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor |
acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester
[no description available] | 2.89 | 3 | 0 | pyrroloquinoline | |
ptc 124
[no description available] | 2.89 | 3 | 0 | oxadiazole;
ring assembly | |
degrasyn
degrasyn: a JAK2 kinase inhibitor that induces rapid degradation of c-Myc protein in MM-1 multiple myeloma and other tumor cell lines; structure in first source | 2.63 | 2 | 0 | | |
bi 2536
[no description available] | 2.89 | 3 | 0 | | |
azd 1152
AZD-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. | 2.89 | 3 | 0 | anilide;
monoalkyl phosphate;
monofluorobenzenes;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
Aurora kinase inhibitor;
prodrug |
carfilzomib
[no description available] | 2.89 | 3 | 0 | epoxide;
morpholines;
tetrapeptide | antineoplastic agent;
proteasome inhibitor |
idelalisib
idelalisib: an antineoplastic agent and p110delta inhibitor; structure in first source. idelalisib : 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. | 2.89 | 3 | 0 | aromatic amine;
organofluorine compound;
purines;
quinazolines;
secondary amino compound | antineoplastic agent;
apoptosis inducer;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor |
motesanib
[no description available] | 2.89 | 3 | 0 | pyridinecarboxamide | |
pf-562,271
[no description available] | 2.89 | 3 | 0 | indoles | |
gliocladin c
gliocladin C: structure in first source | 2.89 | 3 | 0 | | |
sb 706504
[no description available] | 2.89 | 3 | 0 | | |
ku-0060648
[no description available] | 2.89 | 3 | 0 | dibenzothiophenes | |
bgt226
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.. BGT226 : 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. | 2.89 | 3 | 0 | aromatic ether;
imidazoquinoline;
N-arylpiperazine;
organofluorine compound;
pyridines | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
mTOR inhibitor |
n-desmethyldanofloxacin
N-desmethyldanofloxacin: structure given in first source | 2.89 | 3 | 0 | | |
rabeprazole sodium
[no description available] | 2.15 | 1 | 0 | organic sodium salt | |
azd 1152-hqpa
AZD2811: has antineoplastic activity; structure in first source | 2.63 | 2 | 0 | anilide;
monofluorobenzenes;
primary alcohol;
pyrazoles;
quinazolines;
secondary amino compound;
secondary carboxamide;
tertiary amino compound | antineoplastic agent;
Aurora kinase inhibitor |
CDN1163
CDN1163: a SERCA2 activator with antidiabetic activity; structure in first source. CDN1163 : A secondary carboxamide resulting from the formal condensation of the carboxy group of 4-isopropoxybenzoic acid with the primary amino group of 2-methylquinolin-8-amine. An allosteric activator of sarco/endoplasmic reticulum Ca(2+)-ATPase (SERCA). | 2.89 | 3 | 0 | aromatic ether;
quinolines;
secondary carboxamide | SERCA activator |
gsk 269962a
[no description available] | 2.89 | 3 | 0 | | |
pha 848125
N,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 | 2.89 | 3 | 0 | | |
nvp-bhg712
[no description available] | 2.89 | 3 | 0 | benzamides | |
pf 04217903
[no description available] | 2.89 | 3 | 0 | quinolines | |
5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-1,3-dihydroindol-2-one
[no description available] | 2.89 | 3 | 0 | aromatic ketone | |
ph 797804
PH 797804: an NSAID; structure in first source. PH 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. | 2.89 | 3 | 0 | aromatic ether;
benzamides;
organobromine compound;
organofluorine compound;
pyridone | anti-inflammatory agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor |
srt1720
[no description available] | 2.89 | 3 | 0 | | |
purfalcamine
purfalcamine: a PfCDPK-1 inhibitor; structure in first source | 2.89 | 3 | 0 | | |
bms 754807
BMS 754807: an IGR-1R kinase inhibitor; structure in first source | 2.89 | 3 | 0 | pyrazoles;
pyridines;
pyrrolidines;
pyrrolotriazine | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor |
ponatinib
[no description available] | 2.89 | 3 | 0 | (trifluoromethyl)benzenes;
acetylenic compound;
benzamides;
imidazopyridazine;
N-methylpiperazine | antineoplastic agent;
tyrosine kinase inhibitor |
quizartinib
[no description available] | 2.89 | 3 | 0 | benzoimidazothiazole;
isoxazoles;
morpholines;
phenylureas | antineoplastic agent;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor;
necroptosis inhibitor |
PP121
[no description available] | 2.89 | 3 | 0 | aromatic amine;
cyclopentanes;
pyrazolopyrimidine;
pyrrolopyridine | antineoplastic agent;
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor;
tyrosine kinase inhibitor |
navitoclax
[no description available] | 2.89 | 3 | 0 | aryl sulfide;
monochlorobenzenes;
morpholines;
N-sulfonylcarboxamide;
organofluorine compound;
piperazines;
secondary amino compound;
sulfone;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor |
gsk 650394
[no description available] | 2.89 | 3 | 0 | phenylpyridine | |
dcc-2036
rebastinib: an inhibitor of Tie2 tyrosine kinase receptor and antineoplastic agent | 2.89 | 3 | 0 | organofluorine compound;
phenylureas;
pyrazoles;
pyridinecarboxamide;
quinolines | tyrosine kinase inhibitor |
cabozantinib
cabozantinib: a multikinase inhibitor. cabozantinib : 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. | 2.89 | 3 | 0 | aromatic ether;
dicarboxylic acid diamide;
organofluorine compound;
quinolines | antineoplastic agent;
tyrosine kinase inhibitor |
TAK-580
MLN 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. | 2.89 | 3 | 0 | 1,3-thiazolecarboxamide;
aminopyrimidine;
chloropyridine;
organofluorine compound;
pyrimidinecarboxamide;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
B-Raf inhibitor |
8-(4-aminophenyl)-2-(4-morpholinyl)-1-benzopyran-4-one
[no description available] | 2.89 | 3 | 0 | chromones | |
pf 3758309
PF 3758309: a PAK4 p21-activated kinase inhibitor; structure in first source | 2.89 | 3 | 0 | organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound | |
(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 source | 2.63 | 2 | 0 | benzyl alcohols;
morpholines;
pyridopyrimidine;
tertiary amino compound | antineoplastic agent;
apoptosis inducer;
mTOR inhibitor |
5-(2-benzofuranyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
[no description available] | 2.89 | 3 | 0 | aryl sulfide;
thienopyrimidine | |
5-(3-methylsulfonylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
[no description available] | 2.89 | 3 | 0 | aryl sulfide;
thienopyrimidine | |
5-bromo-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine
[no description available] | 2.89 | 3 | 0 | aryl sulfide;
thienopyrimidine | |
baricitinib
[no description available] | 2.89 | 3 | 0 | azetidines;
nitrile;
pyrazoles;
pyrrolopyrimidine;
sulfonamide | anti-inflammatory agent;
antirheumatic drug;
antiviral agent;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor;
immunosuppressive agent |
6-(1,3-benzodioxol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)-4-quinazolinamine
[no description available] | 2.89 | 3 | 0 | quinazolines | |
piperidines
Piperidines: A family of hexahydropyridines. | 2.02 | 1 | 0 | | |
6-[(3-aminophenyl)methyl]-4-methyl-2-methylsulfinyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone
ML-265: a small molecule activator of PKM2 | 2.89 | 3 | 0 | organic heterobicyclic compound;
organonitrogen heterocyclic compound;
organosulfur heterocyclic compound | |
N-[(5-bromo-8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]acetamide
[no description available] | 2.89 | 3 | 0 | hydroxyquinoline | |
p505-15
[no description available] | 2.89 | 3 | 0 | | |
mrt67307
MRT67307: IKK (IκB(inhibitor of NF-κB (nuclear factor κB)) kinase) family inhibitor; structure in first source | 2.89 | 3 | 0 | aromatic amine | |
N-[3-[[5-chloro-2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]oxy]phenyl]-2-propenamide
[no description available] | 2.89 | 3 | 0 | piperazines | |
ribociclib
ribociclib: inhibits both CDK4 and CDK6 | 2.89 | 3 | 0 | | |
1-[3-[4-[(1-methyl-5-tetrazolyl)thio]-5-thieno[2,3-d]pyrimidinyl]phenyl]ethanone
[no description available] | 2.89 | 3 | 0 | aromatic ketone;
thienopyrimidine | |
pha 793887
[no description available] | 2.89 | 3 | 0 | piperidinecarboxamide | |
gsk 2334470
GSK 2334470: a PDK1 inhibitor; structure in first source | 2.21 | 1 | 0 | indazoles | |
ml228 probe
ML228 probe: structure in first source. ML228 : A member of the class of 1,2,4-triazines in which the triazine ring is substituted at positions 3, 5, and 6 by pyridin-2-yl, ([biphenyl]-4-ylmethyl)amin, and methyl groups, respectively. It is an activator of the hypoxia inducible factor (HIF) pathway. | 2.89 | 3 | 0 | 1,2,4-triazines;
biphenyls;
pyridines;
secondary amino compound | hypoxia-inducible factor pathway activator |
pf-03882845
[no description available] | 2.89 | 3 | 0 | | |
jq1 compound
[no description available] | 2.89 | 3 | 0 | carboxylic ester;
organochlorine compound;
tert-butyl ester;
thienotriazolodiazepine | angiogenesis inhibitor;
anti-inflammatory agent;
antineoplastic agent;
apoptosis inducer;
bromodomain-containing protein 4 inhibitor;
cardioprotective agent;
ferroptosis inducer |
pf-04620110
PF-04620110: a DGAT1 inhibitor; structure in first source | 2.89 | 3 | 0 | | |
gsk525762a
molibresib: mimicks acetylated histones; structure in first source | 2.89 | 3 | 0 | benzodiazepine | |
birinapant
birinapant: a Smac mimetic with antineoplastic activity | 2.21 | 1 | 0 | dipeptide | |
torin 1
torin 1 : A member of the class of pyridoquinolines that is 9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2-one bearing an additional 4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl substituent at position 1. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. | 2.89 | 3 | 0 | N-acylpiperazine;
N-arylpiperazine;
organofluorine compound;
pyridoquinoline;
quinolines | antineoplastic agent;
mTOR inhibitor |
abt-199
venetoclax: A BCL-2 inhibitor with antineoplastic activity that is used in the treatment of CHRONIC LYMPHOCYTIC LEUKEMIA associated with chromosome 17p deletion; structure in first source.. venetoclax : A member of the class of pyrrolopyridines that is a potent inhibitor of the antiapoptotic protein B-cell lymphoma 2. It is used for treamtment of chronic lymphocytic leukemia with 17p deletion. | 2.89 | 3 | 0 | aromatic ether;
C-nitro compound;
monochlorobenzenes;
N-alkylpiperazine;
N-arylpiperazine;
N-sulfonylcarboxamide;
oxanes;
pyrrolopyridine | antineoplastic agent;
apoptosis inducer;
B-cell lymphoma 2 inhibitor |
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
[no description available] | 2.89 | 3 | 0 | ureas | |
N-(4-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)anilino]-1-piperidinecarbothioamide
[no description available] | 2.89 | 3 | 0 | (trifluoromethyl)benzenes | |
ncgc00242364
NCGC00242364: structure in first source | 2.89 | 3 | 0 | quinazolines | |
gsk1210151a
GSK1210151A: inhibitor of the BET family of proteins; structure in first source | 2.89 | 3 | 0 | imidazoquinoline | |
hs-173
[no description available] | 2.89 | 3 | 0 | | |
sr1664
[no description available] | 2.89 | 3 | 0 | indolecarboxamide | |
4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-n-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide
4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(4-methoxypyridin-2-yl)piperazine-1-carbothioamide: inhibits phosphopantetheinyl transferase; structure in first source | 2.89 | 3 | 0 | | |
N-[4-(1-benzoyl-4-piperidinyl)butyl]-3-(3-pyridinyl)-2-propenamide
[no description available] | 2.59 | 2 | 0 | benzamides;
N-acylpiperidine | |
N-[4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide
[no description available] | 2.59 | 2 | 0 | aminoquinoline | |
cudc-907
[no description available] | 2.89 | 3 | 0 | | |
methacycline
Methacycline: A broad-spectrum semisynthetic antibiotic related to TETRACYCLINE but excreted more slowly and maintaining effective blood levels for a more extended period.. methacycline : A tetracycline that is the 6-methylene analogue of oxytetracycline, obtained by formal dehydration at position 6. | 2.21 | 1 | 0 | | |
piroxicam
[no description available] | 2 | 1 | 0 | benzothiazine;
monocarboxylic acid amide;
pyridines | analgesic;
antirheumatic drug;
cyclooxygenase 1 inhibitor;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-steroidal anti-inflammatory drug |
mobic
Meloxicam: A benzothiazine and thiazole derivative that acts as a NSAID and cyclooxygenase-2 (COX-2) inhibitor. It is used in the treatment of RHEUMATOID ARTHRITIS; OSTEOARTHRITIS; and ANKYLOSING SPONDYLITIS.. meloxicam : A benzothiazine that is piroxicam in which the pyridin-2-yl group is replaced by a 5-methyl-1,3-thiazol-2-yl group. A non-steroidal anti-inflammatory drug and selective inhibitor of COX-2, it is used particularly for the management of rheumatoid arthritis. | 2 | 1 | 0 | 1,3-thiazoles;
benzothiazine;
monocarboxylic acid amide | analgesic;
antirheumatic drug;
cyclooxygenase 2 inhibitor;
non-steroidal anti-inflammatory drug |
mobiflex
tenoxicam : A thienothiazine-derived monocarboxylic acid amide obtained by formal condensation of the carboxy group of 4-hydroxy-2-methylthieno[2,3-e][1,2]thiazine-3-carboxylic acid 1,1-dioxide with the amino group of 2-aminopyridine. Used for the treatment of pain and inflammation in osteoarthritis and rheumatoid arthritis. It is also indicated for short term treatment of acute musculoskeletal disorders including strains, sprains and other soft-tissue injuries. | 2 | 1 | 0 | heteroaryl hydroxy compound;
monocarboxylic acid amide;
pyridines;
thienothiazine | antipyretic;
EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor;
non-narcotic analgesic;
non-steroidal anti-inflammatory drug |
isoxicam
isoxicam : A monocarboxylic acid amide that is piroxicam in which the pyrid-2-yl group is replaced by a 5-methyl-1,2-oxazol-3-yl group. A non-steroidal anti-inflammatory drug, it was withdrawn from the market in the 1980s following its association with cases of Stevens-Johnson syndrome. | 2 | 1 | 0 | benzothiazine;
isoxazoles;
monocarboxylic acid amide | antirheumatic drug;
non-steroidal anti-inflammatory drug |
methacycline monohydrochloride
[no description available] | 2.59 | 2 | 0 | | |
2-[[[4-hydroxy-2-oxo-1-(phenylmethyl)-3-quinolinyl]-oxomethyl]amino]acetic acid
[no description available] | 2.89 | 3 | 0 | quinolines | |
agi-5198
AGI-5198: inhibits isocitrate dehydrogenase 1; structure in first source | 2.89 | 3 | 0 | | |
cep-32496
agerafenib: inhibitor of RAF family kinases; structure in first source | 2.89 | 3 | 0 | | |
epz004777
[no description available] | 2.89 | 3 | 0 | N-glycosyl compound | |
3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid
[no description available] | 2.89 | 3 | 0 | organonitrogen heterocyclic compound | |
entecavir
[no description available] | 2.89 | 3 | 0 | benzamides;
N-acylpiperidine | |
gkt137831
setanaxib: NOX4/NOX1 inhibitor; a pyrazolopyridine dione derivative | 2.89 | 3 | 0 | | |
vx-509
[no description available] | 2.89 | 3 | 0 | | |
vx-970
berzosertib: an ATR kinase inhibitor | 2.89 | 3 | 0 | sulfonamide | |
gs-9973
[no description available] | 2.89 | 3 | 0 | | |
amg 925
AMG-925 : An organic heterotricyclic compound that is 9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidine which is substituted by a [6-(hydroxyacetyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]nitrilo group at position 2 and by a trans-4-methylcyclohexyl group at position 9. It is a FLT3 and CDK4 dual kinase inhibitor that has antineoplastic activity. Currently under clinical investigation in patients with relapsed or refractory acute myeloid leukemia (AML). | 2.89 | 3 | 0 | | |
gne-618
GNE-618: inhibits nicotinamide phosphoribosyl transferase; structure in first source | 2.89 | 3 | 0 | | |
g007-lk
G007-LK: potent and specific small-molecule tankyrase inhibitor; structure in first source | 2.89 | 3 | 0 | | |
volitinib
[no description available] | 2.89 | 3 | 0 | | |
ML355
ML355: 12-Lipoxygenase inhibitor. ML355 : A sulfonamide resulting from the formal condensation of the amino group of 2-aminobenzothiazole with the sulfo group of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzenesulfonic acid. It is an inhibitor of 12-lipoxygenase, being developed by Veralox Therapeutics for the treatment of heparin-induced thrombocytopenia and thrombosis. | 2.89 | 3 | 0 | benzothiazoles;
monomethoxybenzene;
phenols;
secondary amino compound;
substituted aniline;
sulfonamide | EC 1.13.11.31 (arachidonate 12-lipoxygenase) inhibitor;
platelet aggregation inhibitor |
acp-196
acalabrutinib: inhibits Bruton’s tyrosine kinase; has antineoplastic activity. acalabrutinib : A member of the class of imidazopyrazines that is imidazo[1,5-a]pyrazine substituted by 4-(pyridin-2-ylcarbamoyl)phenyl, (2S)-1-(but-2-ynoyl)pyrrolidin-2-yl, and amino groups at positions 1, 3 and 8, respectively. It is an irreversible second-generation Bruton's tyrosine kinase (BTK) inhibitor that is approved by the FDA for the treatment of adult patients with mantle cell lymphoma (MCL) who have received at least one prior therapy. | 2.89 | 3 | 0 | aromatic amine;
benzamides;
imidazopyrazine;
pyridines;
pyrrolidinecarboxamide;
secondary carboxamide;
tertiary carboxamide;
ynone | antineoplastic agent;
apoptosis inducer;
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor |
gsk343
GSK343: an EZH2 methyltransferase inhibitor. GSK343 : A member of the class of indazoles that is 1-isopropyl-1H-indazole-4-carboxamide in which the nitrogen of the carboxamide group is substituted by a (6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl group and in which the indazole ring is substituted at position 6 by a 2-(4-methylpiperazin-1-yl)pyridin-4-yl group. A highly potent and selective EZH2 inhibitor (IC50 = 4 nM). | 2.89 | 3 | 0 | aminopyridine;
indazoles;
N-alkylpiperazine;
N-arylpiperazine;
pyridone;
secondary carboxamide | antineoplastic agent;
apoptosis inducer;
EC 2.1.1.43 (enhancer of zeste homolog 2) inhibitor |
agi-6780
AGI-6780: inhibits isocitrate dehydrogenases 1 and 2; structure in first source | 2.89 | 3 | 0 | | |
khs101
KHS101: a small molecule accelerates neuronal differentiation in the adult rat | 2.89 | 3 | 0 | | |
cb-839
[no description available] | 2.89 | 3 | 0 | | |
gsk-j4
GSK-J4: a JMJD3 inhibitor; structure in first source | 2.89 | 3 | 0 | organonitrogen heterocyclic compound | |
pf-06424439
PF-06424439: an inhibitor of diacylglycerol acyltransferase 2; structure in first source | 2.89 | 3 | 0 | | |
etp-46464
ETP-46464: inhibits ATM and Rad3-related kinase; structure in first source | 2.89 | 3 | 0 | | |
onc201
TIC10 compound: a TRAIL-dependent antitumor agent; structure in first source | 2.89 | 3 | 0 | | |
kai407
KAI407: an antimalarial; structure in first source | 2.89 | 3 | 0 | | |
6,7-dimethoxy-2-(pyrrolidin-1-yl)-n-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine
6,7-dimethoxy-2-(pyrrolidin-1-yl)-N-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine: a SETD8 inhibitor; structure in first source | 2.89 | 3 | 0 | | |
enasidenib
[no description available] | 2.89 | 3 | 0 | 1,3,5-triazines;
aminopyridine;
aromatic amine;
organofluorine compound;
secondary amino compound;
tertiary alcohol | antineoplastic agent;
EC 1.1.1.42 (isocitrate dehydrogenase) inhibitor |
oicr-9429
OICR-9429: antineoplastic; structure in first source | 2.89 | 3 | 0 | | |
lly-507
LLY-507: inhibits methyltransferase SMYD2; structure in first source. LLY-507 : A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}[biphenyl]-3-carboxylic acid with the amino group of 3-(pyrrolidin-1-yl)propan-1-amine. It is a potent and selective inhibitor of SMYD2 and inhibits the ability of SMYD2 to methylate p53. It serves as a valuable chemical probe to aid in the dissection of SMYD2 function in cancer and other biological processes. | 2.89 | 3 | 0 | | |
at 9283
[no description available] | 2.89 | 3 | 0 | | |
hypoxanthine
[no description available] | 2.89 | 3 | 0 | nucleobase analogue;
oxopurine;
purine nucleobase | fundamental metabolite |
guanosine 5'-o-(3-thiotriphosphate)
Guanosine 5'-O-(3-Thiotriphosphate): Guanosine 5'-(trihydrogen diphosphate), monoanhydride with phosphorothioic acid. A stable GTP analog which enjoys a variety of physiological actions such as stimulation of guanine nucleotide-binding proteins, phosphoinositide hydrolysis, cyclic AMP accumulation, and activation of specific proto-oncogenes. | 2 | 1 | 0 | nucleoside triphosphate analogue | |
clozapine
Clozapine: A tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a major adverse effect associated with administration of this agent.. clozapine : A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia. | 2.89 | 3 | 0 | benzodiazepine;
N-arylpiperazine;
N-methylpiperazine;
organochlorine compound | adrenergic antagonist;
dopaminergic antagonist;
EC 3.4.21.26 (prolyl oligopeptidase) inhibitor;
environmental contaminant;
GABA antagonist;
histamine antagonist;
muscarinic antagonist;
second generation antipsychotic;
serotonergic antagonist;
xenobiotic |
1-hydroxyphenazine
1-hydroxyphenazine: a virulence factor of Pseudomonas aeruginosa. 1-hydroxyphenazine : A phenazine carrying a hydroxy substituent at the 1-position. | 2.89 | 3 | 0 | phenazines | |
ro 24-7429
Ro 24-7429: blocks the action of the HIV tat protein; an analog of Ro 5-3335; Proc Natl Acad Sci U S A 1993 Jul 15;90(14):6395-9 | 2.89 | 3 | 0 | benzodiazepine | |
nintedanib
nintedanib : 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. | 2.89 | 3 | 0 | | |
n'-(3,4-dihydroxybenzylidene)-3-hydroxy-2-naphthahydrazide
[no description available] | 2.89 | 3 | 0 | catechols;
hydrazide;
hydrazone;
naphthols | EC 3.6.5.5 (dynamin GTPase) inhibitor |
ver 52296
luminespib : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(2,4-dihydroxy-5-isopropylphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxylic acid with the amino group of ethylamine. | 2.89 | 3 | 0 | aromatic amide;
isoxazoles;
monocarboxylic acid amide;
morpholines;
resorcinols | angiogenesis inhibitor;
antineoplastic agent;
Hsp90 inhibitor |
rvx 208
apabetalone: a bromodomain and extra-terminal domain protein (BET) inhibitor; prevents interactions between BET proteins and acetyl-lysine residues on histone tails to modify epigenetic regulation | 2.89 | 3 | 0 | | |
bmn 673
talazoparib: inhibits both PARP1 and PARP2; structure in first source | 2.89 | 3 | 0 | | |