1-Methyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (1-Me-THβC) is a naturally occurring compound found in fermented foods and beverages. It exhibits various pharmacological activities, including antioxidant, anti-inflammatory, and neuroprotective properties. Research has shown that 1-Me-THβC has the potential to protect against oxidative stress and neurodegenerative diseases. It has been studied for its effects on memory, learning, and anxiety. The compound's synthesis involves the reaction of tryptamine with a suitable α-keto acid. 1-Me-THβC is of interest to researchers due to its potential therapeutic applications, including its ability to modulate neurotransmitter systems and its role in the formation of certain neurodegenerative plaques.'
1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid: precursor of mutagenic nitroso cpd in soy sauce; structure given in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 73530 |
| CHEMBL ID | 491388 |
| CHEBI ID | 172470 |
| SCHEMBL ID | 504399 |
| MeSH ID | M0114877 |
| Synonym |
|---|
| BB 0256940 |
| CHEBI:172470 |
| 1-methyl-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indole-3-carboxylic acid |
| (1xi,3xi)-1,2,3,4-tetrahydro-1-methyl-beta-carboline-3-carboxylic acid |
| 1-methyl-tetrahydro-beta-carboline-3-carboxylic acid |
| nsc 26225 |
| 1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid, sodium nitrite treated |
| 1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid |
| 1h-pyrido(3,4-b)indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-methyl- |
| harmane 1,2,3,4 tetrahydro-3-carboxylic acid |
| unii-7fcj1ow7ox |
| ccris 6487 |
| 7fcj1ow7ox , |
| F0896-0475 |
| 1-methyl-2,3,4,9-tetrahydro-1h-1-carboline-3-carboxylic acid |
| tetrahydroharman-3-carboxylic acid |
| nsc26225 |
| nsc-26225 |
| harmane 1,3,4 tetrahydro-3-carboxylic acid |
| 5470-37-1 |
| SDCCGMLS-0064537.P001 |
| AE-473/31198040 |
| CHEMDIV1_000460 , |
| CBDIVE_001615 |
| CBDIVE_003491 |
| nsc298854 |
| nsc298851 |
| nsc-298854 |
| nsc-298851 |
| 1,2,3,4-tetrahydroharmane-3-carboxylic acid |
| NCGC00163354-01 |
| H-1160 |
| 1,2,3,4-tetrahydro-3-carboxyharmane |
| STK386725 |
| 1-methyl-2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylic acid |
| AKOS000265198 |
| 1h-pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-methyl- |
| F1918-0045 |
| HMS588E20 |
| CHEMBL491388 |
| 1-methyl-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indol-2-ium-3-carboxylate |
| 1-methyl-1h,2h,3h,4h,9h-pyrido[3,4-b]indole-3-carboxylic acid |
| FT-0635750 |
| AKOS016038054 |
| AKOS016037534 |
| SCHEMBL504399 |
| AKOS024267136 |
| cambridge id 5147364 |
| 1-methyl-2,3,4,9-tetrahydro-1h-beta-carboline-3-carboxylic acid # |
| 1,2,3,4-tetrahydroharman-3-carboxylic acid |
| mfcd00022199 |
| harmane-1,2,3,4-tetrahydro-3-carboxylic acid |
| 1-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole-3-carboxylic acid |
| BS-37974 |
| SB47569 |
| 1234_tetrahydroharmane_3_carboxylic_acid |
| EN300-235652 |
| DTXSID401023900 |
| F87977 |
| Class | Description |
|---|---|
| harmala alkaloid | Any member of a class of naturally occurring alkaloids based on a 1-methyl-9H-beta-carboline skeleton. |
| [compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE | Homo sapiens (human) | Potency | 39.8107 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID1347086 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal | 2020 | Antiviral research, 01, Volume: 173 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
| AID1347082 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal | 2020 | Antiviral research, 01, Volume: 173 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
| AID1508630 | Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay | 2021 | Cell reports, 04-27, Volume: 35, Issue:4 | A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome. |
| AID1347083 | qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen | 2020 | Antiviral research, 01, Volume: 173 | A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity. |
| AID1347154 | Primary screen GU AMC qHTS for Zika virus inhibitors | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
| AID338148 | Antimicrobial activity against Pseudomonas aeruginosa assessed per disk | |||
| AID1091984 | Insecticidal activity against fourth-instar larval stage of Culex quinquefasciatus assessed as increase in mortality after 2 to 24 hr | 2010 | Molecules (Basel, Switzerland), Nov-02, Volume: 15, Issue:11 | Cytotoxic and insecticidal activities of derivatives of harmine, a natural insecticidal component isolated from Peganum harmala. |
| AID1091974 | Insecticidal activity against Lipaphis erysimi (mustard aphids) assessed as increase in mortality at 50 to 200 mg/L after 24 to 48 hr | 2010 | Molecules (Basel, Switzerland), Nov-02, Volume: 15, Issue:11 | Cytotoxic and insecticidal activities of derivatives of harmine, a natural insecticidal component isolated from Peganum harmala. |
| AID1091980 | Insecticidal activity against fourth-instar larval stage of Culex quinquefasciatus assessed as increase in mortality at 50 to 100 mg/L after 24 hr | 2010 | Molecules (Basel, Switzerland), Nov-02, Volume: 15, Issue:11 | Cytotoxic and insecticidal activities of derivatives of harmine, a natural insecticidal component isolated from Peganum harmala. |
| AID338146 | Antimicrobial activity against Escherichia coli assessed per disk | |||
| AID338124 | Antiviral activity against Herpes simplex virus (type 1 / strain F) ATCC VR 733 in african green monkey BSC1 cells assessed as excess radius from disk edge at 20 ug/disk | |||
| AID338121 | Cytotoxicity against mouse P388 cells | |||
| AID338147 | Antimicrobial activity against Bacillus subtilis assessed per disk | |||
| AID1091985 | Insecticidal activity against fourth-instar larval stage of Culex quinquefasciatus assessed as mortality at 1 mg/L after 24 hr | 2010 | Molecules (Basel, Switzerland), Nov-02, Volume: 15, Issue:11 | Cytotoxic and insecticidal activities of derivatives of harmine, a natural insecticidal component isolated from Peganum harmala. |
| AID338132 | Antiviral activity against Polio virus 1 Pfizer vaccine in african green monkey BSC1 cells assessed as excess radius from disk edge at 20 ug/disk | |||
| AID338141 | Cytotoxicity against african green monkey BSC1 cells at 20 ug/disk | |||
| AID338151 | Antimicrobial activity against Cladosporium resinae assessed per disk | |||
| AID338150 | Antimicrobial activity against Trichophyton mentagrophytes assessed per disk | |||
| AID1194597 | Inhibition of PTP1B (unknown origin) assessed as inhibition rate at 100 uM | 2015 | Bioorganic & medicinal chemistry letters, May-01, Volume: 25, Issue:9 | Canthinone alkaloids are novel protein tyrosine phosphatase 1B inhibitors. |
| AID338149 | Antimicrobial activity against Candida albicans assessed per disk | |||
| AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | 2014 | Journal of biomolecular screening, Jul, Volume: 19, Issue:6 | A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum. |
| AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | |||
| AID1159537 | qHTS screening for TAG (triacylglycerol) accumulators in algae | 2017 | Plant physiology, Aug, Volume: 174, Issue:4 | Identification and Metabolite Profiling of Chemical Activators of Lipid Accumulation in Green Algae. |
| AID1159607 | Screen for inhibitors of RMI FANCM (MM2) intereaction | 2016 | Journal of biomolecular screening, Jul, Volume: 21, Issue:6 | A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 6 (12.50) | 18.7374 |
| 1990's | 22 (45.83) | 18.2507 |
| 2000's | 1 (2.08) | 29.6817 |
| 2010's | 15 (31.25) | 24.3611 |
| 2020's | 4 (8.33) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.
| This Compound (12.18) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 1 (1.96%) | 5.53% |
| Reviews | 0 (0.00%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 50 (98.04%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
| 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. | 1.97 | 1 | 0 | hydroxytryptophan | human metabolite; neurotransmitter |
| acetic acid Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed). acetic acid : A simple monocarboxylic acid containing two carbons. | 2.07 | 1 | 0 | monocarboxylic acid | antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent |
| acetaldehyde Acetaldehyde: A colorless, flammable liquid used in the manufacture of acetic acid, perfumes, and flavors. It is also an intermediate in the metabolism of alcohol. It has a general narcotic action and also causes irritation of mucous membranes. Large doses may cause death from respiratory paralysis.. acetaldehyde : The aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke.. aldehyde : A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group.. acetyl group : A group, formally derived from acetic acid by dehydroxylation, which is fundamental to the biochemistry of all forms of life. When bound to coenzyme A, it is central to the metabolism of carbohydrates and fats. | 9.3 | 4 | 1 | aldehyde | carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent |
| levoplast Levoplast: mixture of acetamide, 2,2-dichloro-N-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)-, (R-(R*,R*))-, castor oil, celluloidin, collodion & tannins | 2.15 | 1 | 0 | C-nitro compound | |
| hippuric acid hippuric acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #4591. N-benzoylglycine : An N-acylglycine in which the acyl group is specified as benzoyl. | 2.15 | 1 | 0 | N-acylglycine | human blood serum metabolite; uremic toxin |
| hydroxylamine amino alcohol : An alcohol containing an amino functional group in addition to the alcohol-defining hydroxy group. | 2.1 | 1 | 0 | hydroxylamines | algal metabolite; bacterial xenobiotic metabolite; EC 1.1.3.13 (alcohol oxidase) inhibitor; EC 4.2.1.22 (cystathionine beta-synthase) inhibitor; EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor; nitric oxide donor; nucleophilic reagent |
| indoleacetic acid indoleacetic acid: RN given refers to unlabeled parent cpd; structure in Merck Index, 9th ed, #4841. auxin : Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek alphaupsilonxialphanuomega, "to grow").. indole-3-acetic acid : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1H-indol-3-yl group. | 2.13 | 1 | 0 | indole-3-acetic acids; monocarboxylic acid | auxin; human metabolite; mouse metabolite; plant hormone; plant metabolite |
| thioctic acid Thioctic Acid: An octanoic acid bridged with two sulfurs so that it is sometimes also called a pentanoic acid in some naming schemes. It is biosynthesized by cleavage of LINOLEIC ACID and is a coenzyme of oxoglutarate dehydrogenase (KETOGLUTARATE DEHYDROGENASE COMPLEX). It is used in DIETARY SUPPLEMENTS. | 1.99 | 1 | 0 | dithiolanes; heterocyclic fatty acid; thia fatty acid | fundamental metabolite; geroprotector |
| nitrites Nitrites: Salts of nitrous acid or compounds containing the group NO2-. The inorganic nitrites of the type MNO2 (where M=metal) are all insoluble, except the alkali nitrites. The organic nitrites may be isomeric, but not identical with the corresponding nitro compounds. (Grant & Hackh's Chemical Dictionary, 5th ed) | 3.06 | 5 | 0 | monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species | human metabolite |
| taurine [no description available] | 1.99 | 1 | 0 | amino sulfonic acid; zwitterion | antioxidant; Escherichia coli metabolite; glycine receptor agonist; human metabolite; mouse metabolite; nutrient; radical scavenger; Saccharomyces cerevisiae metabolite |
| xanthine 7H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-7 is protonated.. 9H-xanthine : An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated. | 2.15 | 1 | 0 | xanthine | Saccharomyces cerevisiae metabolite |
| atrolactic acid atrolactic acid: see also 3-isomer; RN given refers to parent cpd without isomeric designation; structure | 2.15 | 1 | 0 | 2-hydroxy monocarboxylic acid | |
| hydroxyindoleacetic acid (5-hydroxyindol-3-yl)acetic acid : A member of the class of indole-3-acetic acids that is indole-3-acetic acid substituted by a hydroxy group at C-5. | 1.97 | 1 | 0 | indole-3-acetic acids | drug metabolite; human metabolite; mouse metabolite |
| etofylline etofylline: etophyllin appeared once in PubMed: Wien Med Wochenschr. 1986 May 15;136(9):213-8 as a combination drug with theophylline (spelt without e, theophllin) | 2.15 | 1 | 0 | oxopurine | |
| n-acetyltryptophan N-acetyltryptophan : An N-acetylamino acid that is the N-acetyl derivative of tryptophan. | 2.15 | 1 | 0 | N-acetyl-amino acid; tryptophan derivative | metabolite |
| ethacridine Ethacridine: A topically applied anti-infective agent. | 2.15 | 1 | 0 | acridines | |
| altretamine Altretamine: A hexamethyl-2,4,6-triamine derivative of 1,3,5-triazine. | 2.15 | 1 | 0 | triamino-1,3,5-triazine | |
| 2,5-di-tert-butylhydroquinone 2,5-di-tert-butylbenzene-1,4-diol : A member of the class of hydroquinones that is benzene-1,4-diol substituted by tert-butyl groups at position 2 and 5. | 2.15 | 1 | 0 | hydroquinones | |
| cx546 1-(1,4-benzodioxan-6-ylcarbonyl)piperidine: structure in first source | 2.15 | 1 | 0 | ||
| 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. | 2.15 | 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 |
| diuron Diuron: A pre-emergent herbicide.. diuron : A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which both of the hydrogens attached to one nitrogen are substituted by methyl groups, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group. | 2.15 | 1 | 0 | 3-(3,4-substituted-phenyl)-1,1-dimethylurea; dichlorobenzene | environmental contaminant; mitochondrial respiratory-chain inhibitor; photosystem-II inhibitor; urea herbicide; xenobiotic |
| ibuprofen Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine | 2.15 | 1 | 0 | monocarboxylic acid | antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic |
| ipriflavone ipriflavone : A member of the class of isoflavones that is isoflavone in which the hydrogen at position 7 is replaced by an isopropoxy group. A synthetic isoflavone, it was formerly used for the treatment of osteoporosis, although a randomised controlled study failed to show any benefit. It is still used to prevent osteoporosis in post-menopausal women. | 2.15 | 1 | 0 | aromatic ether; isoflavones | bone density conservation agent |
| 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. | 2.15 | 1 | 0 | aromatic ketone; benzimidazoles; carbamate ester | antinematodal drug; microtubule-destabilising agent; tubulin modulator |
| nocodazole [no description available] | 2.15 | 1 | 0 | aromatic ketone; benzimidazoles; carbamate ester; thiophenes | antimitotic; antineoplastic agent; microtubule-destabilising agent; tubulin modulator |
| 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. | 2.15 | 1 | 0 | N-arylpiperazine | |
| procainamide Procainamide: A class Ia antiarrhythmic drug that is structurally-related to PROCAINE.. procainamide : A benzamide that is 4-aminobenzamide substituted on the amide N by a 2-(diethylamino)ethyl group. It is a pharmaceutical antiarrhythmic agent used for the medical treatment of cardiac arrhythmias. | 2.15 | 1 | 0 | benzamides | anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker |
| prometone prometone: structure. prometon : A methoxy-1,3,5-triazine that is 6-methoxy-1,3,5-triazine-2,4-diamine in which the one of the hydrogens of each amino group is substituted by an isopropyl group. | 2.15 | 1 | 0 | diamino-1,3,5-triazine; methoxy-1,3,5-triazine | environmental contaminant; herbicide; xenobiotic |
| propanil Propanil: A chlorinated anilide that is used as an herbicide.. propanil : An anilide resulting from the formal condensation of the carboxy group of propanoic acid with the amino group of 3,4-dichloroaniline. It is a herbicide used for the treatment of numerous grasses and broad-leaved weeds in rice, potatoes, and wheat. | 2.15 | 1 | 0 | anilide; dichlorobenzene | herbicide |
| sulfadimethoxine Sulfadimethoxine: A sulfanilamide that is used as an anti-infective agent.. sulfadimethoxine : A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. | 2.15 | 1 | 0 | aromatic ether; pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; antimicrobial agent; drug allergen; environmental contaminant; xenobiotic |
| sulfamethazine Sulfamethazine: A sulfanilamide anti-infective agent. It has a spectrum of antimicrobial action similar to other sulfonamides.. sulfamethazine : A sulfonamide consisting of pyrimidine with methyl substituents at the 4- and 6-positions and a 4-aminobenzenesulfonamido group at the 2-position. | 2.15 | 1 | 0 | pyrimidines; sulfonamide antibiotic; sulfonamide | antibacterial drug; antiinfective agent; antimicrobial agent; carcinogenic agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; ligand; xenobiotic |
| sulfathiazole Sulfathiazole: A sulfathiazole compound that is used as a short-acting anti-infective agent. It is no longer commonly used systemically due to its toxicity, but may still be applied topically in combination with other drugs for the treatment of vaginal and skin infections, and is still used in veterinary medicine.. sulfathiazole : A 1,3-thiazole compound having a 4-aminobenzenesulfonamido group at the 2-position. | 2.15 | 1 | 0 | 1,3-thiazoles; substituted aniline; sulfonamide antibiotic; sulfonamide | antiinfective agent; drug allergen; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic |
| testosterone [no description available] | 2.15 | 1 | 0 | 3-hydroxy steroid | androgen |
| tyramine [no description available] | 8.06 | 5 | 0 | monoamine molecular messenger; primary amino compound; tyramines | EC 3.1.1.8 (cholinesterase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter |
| 2-hydroxybenzylbenzimidazole 2-hydroxybenzylbenzimidazole: RN given refers to cpd without isomeric designation | 2.15 | 1 | 0 | ||
| alanine Alanine: A non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases IMMUNITY, and provides energy for muscle tissue, BRAIN, and the CENTRAL NERVOUS SYSTEM.. alanine : An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2. | 1.99 | 1 | 0 | alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid | EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite |
| phenylalanine Phenylalanine: An essential aromatic amino acid that is a precursor of MELANIN; DOPAMINE; noradrenalin (NOREPINEPHRINE), and THYROXINE.. L-phenylalanine : The L-enantiomer of phenylalanine.. phenylalanine : An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group. | 2.11 | 1 | 0 | amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; phenylalanine; proteinogenic amino acid | algal metabolite; EC 3.1.3.1 (alkaline phosphatase) inhibitor; Escherichia coli metabolite; human xenobiotic metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
| etimizol Etimizol: A xanthine-related, putative nootropic drug. | 2.15 | 1 | 0 | ||
| tryptophan Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.. tryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3. | 4.13 | 16 | 0 | erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan | antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite |
| nifenalol nifenalol: adrenergic beta-blocker with good antiarrhythmic properties; also tends to lower blood pressure & provide protection against angina; minor descriptor (75-86); on-line & INDEX MEDICUS search ETHANOLAMINES (75-86); RN given refers to parent cpd without isomeric designation | 2.15 | 1 | 0 | C-nitro compound | |
| bis(4-hydroxyphenyl)sulfone bis(4-hydroxyphenyl)sulfone: structure and RN in first source. 4,4'-sulfonyldiphenol : A sulfone that is diphenyl sulfone in which both of the para hydrogens have been replaced by hydroxy groups. | 2.15 | 1 | 0 | bisphenol; sulfone | endocrine disruptor; metabolite |
| 8-hydroxyquinoline-5-sulfonic acid 8-hydroxyquinoline-5-sulfonic acid: RN given refers to parent cpd | 2.15 | 1 | 0 | ||
| salicylanilide salicylanilide: RN given refers to parent cpd. salicylanilide : An amide of salicylic acid and of aniline; it is therefore both a salicylamide and an anilide. | 2.15 | 1 | 0 | benzanilide fungicide; salicylamides; salicylanilides | |
| 2-phenylbutyric acid 2-phenylbutyric acid : A monocarboxylic acid that is butyric acid substituted by a phenyl group at position 2. | 2.15 | 1 | 0 | benzenes; monocarboxylic acid | human xenobiotic metabolite |
| 4,4'-dimethoxybenzophenone 4,4'-dimethoxybenzophenone: structure in first source | 2.15 | 1 | 0 | ||
| 6-phenyl-1,3,5-triazine-2,4-diamine 6-phenyl-1,3,5-triazine-2,4-diamine: structure in first source | 2.15 | 1 | 0 | ||
| quinaldic acid [no description available] | 2.15 | 1 | 0 | quinolinemonocarboxylic acid | human metabolite; Saccharomyces cerevisiae metabolite |
| N-(2-methoxyphenyl)acetamide [no description available] | 2.15 | 1 | 0 | acetamides; methoxybenzenes | |
| fast red b Fast Red B: structure in first source. fast red B : An organosulfonate salt composed from 2-methoxy-4-nitrobenzene-1-diazonium and 5-sulfonaphthalene-1-sulfonate in a 1:1 ratio. Used for demostrating enterochromaffin in carcinoid tumours. | 2.15 | 1 | 0 | ||
| furaldehyde Furaldehyde: A heterocyclic compound consisting of a furan where the hydrogen at position 2 is substituted by a formyl group.. furfural : An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group. | 2.07 | 1 | 0 | aldehyde; furans | Maillard reaction product; metabolite |
| methylenebis(chloroaniline) Methylenebis(chloroaniline): Aromatic diamine used in the plastics industry as curing agent for epoxy resins and urethane rubbers. It causes bladder, liver, lung, and other neoplasms.. 4,4'-methylene-bis-(2-chloroaniline) : A chloroaniline that consists of two 2-chloroaniline units joined by a methylene bridge. | 2.15 | 1 | 0 | chloroaniline | metabolite |
| di-(4-aminophenyl)ether di-(4-aminophenyl)ether: structure | 2.15 | 1 | 0 | aromatic ether | |
| diphenylguanidine diphenylguanidine: vulcanization accelerator; RN given refers to parent cpd. 1,3-diphenylguanidine : Guanidine carrying a phenyl substituent on each of the two amino groups. It is used as an accelerator in the rubber industry. | 2.15 | 1 | 0 | guanidines | allergen |
| 4-Anilino-4-oxobutanoic acid [no description available] | 2.15 | 1 | 0 | anilide | |
| pyrroles 1H-pyrrole : A tautomer of pyrrole that has the double bonds at positions 2 and 4.. pyrrole : A five-membered monocyclic heteroarene comprising one NH and four CH units which forms the parent compound of the pyrrole group of compounds. Its five-membered ring structure has three tautomers. A 'closed class'.. azole : Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen. | 2.15 | 1 | 0 | pyrrole; secondary amine | |
| mephobarbital Mephobarbital: A barbiturate that is metabolized to PHENOBARBITAL. It has been used for similar purposes, especially in EPILEPSY, but there is no evidence mephobarbital offers any advantage over PHENOBARBITAL.. mephobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by ethyl and phenyl groups. | 2.15 | 1 | 0 | barbiturates | anticonvulsant |
| etryptamine etryptamine: RN given refers to cpd without isomeric designation | 2.15 | 1 | 0 | indoles | |
| sulfacetamide [no description available] | 2.15 | 1 | 0 | ||
| cinchophen cinchophen: was heading 1963-94; ACIPHENOCHINOLIUM was see CHINOPHEN 1978-94; use QUINOLINES to search CINCHOPHEN 1966-94 | 2.15 | 1 | 0 | quinolines | |
| 2-aminobenzothiazole [no description available] | 2.15 | 1 | 0 | benzothiazoles | |
| carzenide [no description available] | 2.15 | 1 | 0 | sulfonamide | |
| nitrilotriacetic acid Nitrilotriacetic Acid: A derivative of acetic acid, N(CH2COOH)3. It is a complexing (sequestering) agent that forms stable complexes with Zn2+. (From Miall's Dictionary of Chemistry, 5th ed.) | 2.15 | 1 | 0 | NTA; tricarboxylic acid | carcinogenic agent; nephrotoxic agent |
| n-(2-cyanoethyl)-2-phenylethylamine N-(2-cyanoethyl)-2-phenylethylamine: prodrug of 2-phenylethylamine | 2.15 | 1 | 0 | ||
| cyclooctane [no description available] | 2.15 | 1 | 0 | ||
| triphenyltetrazolium chloride 2,3,5-triphenyltetrazolium chloride : An organic chloride salt having 2,3,5-triphenyltetrazolium as the counterion. | 2.15 | 1 | 0 | organic chloride salt | dye; indicator |
| 2,7-diacetylaminofluorene 2,7-diacetylaminofluorene: has been found to induce leukemia in animals; minor descriptor (75-84); on-line search 2-ACETYLAMINOFLUORENE/AA (75-84); Index Medicus search 2-ACETYLAMINOFLUORENE/AA (80-82), FLUORENES (75-79) | 2.15 | 1 | 0 | ||
| cyanamide Cyanamide: A cyanide compound which has been used as a fertilizer, defoliant and in many manufacturing processes. It often occurs as the calcium salt, sometimes also referred to as cyanamide. The citrated calcium salt is used in the treatment of alcoholism.. cyanamide : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an amino group. | 1.98 | 1 | 0 | nitrile; one-carbon compound | EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor |
| 3,4-pyridinedicarboxylic acid 3,4-pyridinedicarboxylic acid: structure in first source | 2.15 | 1 | 0 | pyridinedicarboxylic acid | |
| 4-(benzoylamino)-2-hydroxybenzoic acid 4-(benzoylamino)-2-hydroxybenzoic acid: Bepask is calcium salt | 2.15 | 1 | 0 | benzamides | |
| tropic acid tropic acid: acid moiety of ester alkaloids hyoscyamine & scopolamine; RN given refers to parent cpd with unspecified isomeric designation; structure. tropic acid : A 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a phenyl group, and one of the methyl hydrogens is substituted by a hydroxy group. | 2.15 | 1 | 0 | 3-hydroxy monocarboxylic acid | human xenobiotic metabolite |
| 8-hydroxy-7-iodo-5-quinolinesulfonic acid 8-hydroxy-7-iodo-5-quinolinesulfonic acid: used with iodine isotopes in radioisotope scanning; structure | 2.15 | 1 | 0 | hydroxyquinoline | |
| 1-acetylisatin 1-acetylisatin: structure in first source | 2.15 | 1 | 0 | indoledione | |
| 4-cumylphenol [no description available] | 2.15 | 1 | 0 | diarylmethane | |
| 5-methylisatin 5-methylisatin: structure in first source | 2.15 | 1 | 0 | ||
| 2-hydrazinobenzothiazole [no description available] | 2.15 | 1 | 0 | ||
| 1,2,3-trimethoxybenzene 1,2,3-trimethoxybenzene : A methoxybenzene that is benzene substituted by methoxy groups at positions 1, 2 and 3 respectively. | 2.15 | 1 | 0 | methoxybenzenes | plant metabolite |
| 2-amino-5-chlorobenzophenone 2-amino-5-chlorbenzophenone: structure given in first source | 2.15 | 1 | 0 | ||
| diphenamid diphenamid: do not confuse with anti-inflammatory agent difenpiramide; structure | 2.15 | 1 | 0 | diarylmethane | |
| 2-acetylpyrrole 2-acetylpyrrole : A pyrrole carrying an acetyl substituent at the 2-position. | 2.15 | 1 | 0 | aromatic ketone; methyl ketone; pyrroles | |
| 4-(4-nitrobenzyl)pyridine [no description available] | 2.15 | 1 | 0 | ||
| 5-methyl-3-phenylisoxazole-4-carboxylic acid 5-methyl-3-phenylisoxazole-4-carboxylic acid: has anti-tumor, antiviral, hypoglycemic, antifungal and anti-HIV activities; structure in first source | 2.15 | 1 | 0 | ||
| d-alpha tocopherol Vitamin E: A generic descriptor for all TOCOPHEROLS and TOCOTRIENOLS that exhibit ALPHA-TOCOPHEROL activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of ISOPRENOIDS.. tocopherol : A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain.. vitamin E : Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen.. (R,R,R)-alpha-tocopherol : An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils. | 1.99 | 1 | 0 | alpha-tocopherol | algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite |
| 2-acetylbenzofuran 2-acetylbenzofuran: structure in first source | 2.15 | 1 | 0 | ||
| pyrazon pyrazon: structure; do not confuse with phenazone which is a synonym to antipyrine. chloridazon : A pyridazinone that is pyridazin-3(2H)-one substituted by an amino group at position 5, a chloro group at position 4 and a phenyl group at position 2. | 2.15 | 1 | 0 | benzenes; organochlorine compound; primary amino compound; pyridazinone | environmental contaminant; herbicide; xenobiotic |
| 2-amino-5-nitrobenzophenone 2-amino-5-nitrobenzophenone: urinary metabolite of nitrazepam | 2.15 | 1 | 0 | ||
| (4-tert-Butyl-phenoxy)-acetic acid [no description available] | 2.15 | 1 | 0 | monocarboxylic acid | |
| lenacil lenacil: Russian drug. herbicide : A substance used to destroy plant pests.. lenacil : A cyclopentapyrimidine that is 6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione substituted by a cyclohexyl group at position 3. | 2.15 | 1 | 0 | cyclopentapyrimidine | agrochemical; environmental contaminant; herbicide; xenobiotic |
| chlordesmethyldiazepam [no description available] | 2.15 | 1 | 0 | benzodiazepine | |
| 2-amino-2',5-dichlorobenzophenone 2-amino-2',5-dichlorobenzophenone: structure given in first source | 2.15 | 1 | 0 | ||
| 2-(2'-hydroxyphenyl)benzimidazole 2-(2'-hydroxyphenyl)benzimidazole: structure in first source | 2.15 | 1 | 0 | ||
| 4-phthalimidobutyric acid 4-phthalimidobutyric acid: teratogen; RN given refers to parent cpd | 2.15 | 1 | 0 | ||
| azabutyrone azabutyrone: Russian drug; RN given refers to parent cpd; structure | 2.15 | 1 | 0 | ||
| 2-(2-hydroxyphenyl)benzothiazole 2-(1,3-benzothiazol-2-yl)phenol : A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by a 2-hydroxyphenyl group at position 2. | 2.15 | 1 | 0 | benzothiazoles; phenols | geroprotector |
| 4,5-dichlorocatechol [no description available] | 2.15 | 1 | 0 | ||
| n-butylbenzenesulfonamide N-butylbenzenesulfonamide: a neurotoxic plasticising agent. N-butylbenzenesulfonamide : A sulfonamide that is benzenesulfonamide substituted by a butyl group at the nitrogen atom. It has been isolated from the plant Prunus africana and has been shown to exhibit antiandrogenic activity. | 2.15 | 1 | 0 | sulfonamide | neurotoxin; plant metabolite |
| 3-phenoxybenzoic acid 3-phenoxybenzoic acid: metabolite associated with exposure to pyrethroid insecticides. 3-phenoxybenzoic acid : A phenoxybenzoic acid in which the phenoxy group is meta to the carboxy group. It is a metabolite of pyrethroid insecticides. | 2.15 | 1 | 0 | phenoxybenzoic acid | human xenobiotic metabolite; marine xenobiotic metabolite |
| 2-(2-hydroxyethylmercapto)benzothiazole 2-(2-hydroxyethylmercapto)benzothiazole: reaction product of 2-mercaptobenzothiazole, well-known rubber vulcanization accelerator; structure in first source | 2.15 | 1 | 0 | ||
| carboxin Carboxin: A systemic agricultural fungicide and seed treatment agent.. carboxin : An anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid. A fungicide for control of bunts and smuts that is normally used as a seed treatment. | 2.15 | 1 | 0 | anilide fungicide; anilide; enamide; organosulfur heterocyclic compound; oxacycle; secondary carboxamide | antifungal agrochemical; EC 1.3.5.1 [succinate dehydrogenase (quinone)] inhibitor |
| meturin [no description available] | 2.15 | 1 | 0 | ||
| 2-bromo-N-phenylbenzamide [no description available] | 2.15 | 1 | 0 | benzamides | |
| 4-chlorohippuric acid 4-chlorohippuric acid: metabolite of zomepirac; RN given refers to parent cpd | 2.15 | 1 | 0 | ||
| 4-chlorophenoxyacetic acid 4-chlorophenoxyacetic acid: RN given refers to parent cpd; structure. (4-chlorophenoxy)acetic acid : A chlorophenoxyacetic acid that is phenoxyacetic acid carrying a chloro substituent at position 4. | 2.15 | 1 | 0 | chlorophenoxyacetic acid; monochlorobenzenes | phenoxy herbicide |
| 2,5-dichloro-1,4-phenylenediamine 2,5-dichloro-1,4-phenylenediamine: structure in first source | 2.15 | 1 | 0 | ||
| metribuzin metribuzin : A member of the class of 1,2,4-triazines that is 1,2,4-triazin-5(4H)-one substituted by an amino group at position 4, tert-butyl group at position 6 and a methylsulfanyl group at position 3. | 2.15 | 1 | 0 | 1,2,4-triazines; cyclic ketone; organic sulfide | agrochemical; environmental contaminant; herbicide; xenobiotic |
| sodium azide Sodium Azide: A cytochrome oxidase inhibitor which is a nitridizing agent and an inhibitor of terminal oxidation. (From Merck Index, 12th ed). sodium azide : The sodium salt of hydrogen azide (hydrazoic acid). | 2.1 | 1 | 0 | inorganic sodium salt | antibacterial agent; explosive; mitochondrial respiratory-chain inhibitor; mutagen |
| 2,5-dimethyl-3-furancarboxanilide 2,5-dimethyl-3-furancarboxanilide: structure | 2.15 | 1 | 0 | ||
| moricizine hydrochloride moricizine hydrochloride : A hydrochloride salt obtained from equimola amounts of moricizine and hydrogen chloride. | 2.15 | 1 | 0 | hydrochloride | anti-arrhythmia drug |
| 2-benzimidazolylguanidine 2-benzimidazolylguanidine: effects chloride efflux in tissue; RN given refers to parent cpd | 2.15 | 1 | 0 | aminoimidazole | |
| diflubenzuron Diflubenzuron: An insect growth regulator which interferes with the formation of the insect cuticle. It is effective in the control of mosquitoes and flies.. diflubenzuron : A benzoylurea insecticide that is urea in which a hydrogen attached to one of the nitrogens is replaced by a 4-chlorophenyl group, and a hydrogen attached to the other nitrogen is replaced bgy a 2,6-difluorobenzoyl group. | 2.15 | 1 | 0 | benzoylurea insecticide; monochlorobenzenes | insect sterilant |
| fluorescamine Fluorescamine: A nonfluorescent reagent for the detection of primary amines, peptides and proteins. The reaction products are highly fluorescent. | 1.98 | 1 | 0 | ||
| pentafluorobenzoyl-n-phenylethylamine [no description available] | 2.15 | 1 | 0 | ||
| thidiazuron [no description available] | 2.15 | 1 | 0 | ureas | |
| phenthiazamine phenthiazamine: RN given refers to parent cpd | 2.15 | 1 | 0 | ||
| 5,5-diphenylbarbituric acid 5,5-diphenylbarbituric acid: RN given refers to parent cpd | 2.15 | 1 | 0 | ||
| 3-acetamidobenzoic acid N-acetyl-m-aminobenzoic acid: from Solanum laciniatum; structure in first source | 2.15 | 1 | 0 | ||
| dazoxiben hydrochloride [no description available] | 2.15 | 1 | 0 | ||
| succinylsulfanilamide [no description available] | 2.15 | 1 | 0 | ||
| benzylaminopurine benzylaminopurine: a plant growth regulator. N-benzyladenine : A member of the class of 6-aminopurines that is adenine in which one of the hydrogens of the amino group is replaced by a benzyl group. | 2.15 | 1 | 0 | 6-aminopurines | cytokinin; plant metabolite |
| ciprofloxacin hydrochloride anhydrous [no description available] | 2.15 | 1 | 0 | hydrochloride | antibacterial drug; antiinfective agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor |
| src-820 r [no description available] | 2.15 | 1 | 0 | ||
| n(4)-acetylsulfadiazine N(4)-acetylsulfadiazine: main metabolite of sulfadiazine. N(4)-acetylsulfadiazine : A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the drug sulfadiazine. | 2.15 | 1 | 0 | acetamides; pyrimidines; sulfonamide | marine xenobiotic metabolite |
| norharman norharman: RN given refers to parent cpd. beta-carboline : The parent compound of the beta-carbolines, a tricyclic structure comprising an indole ring system ortho- fused to C-3 and C-4 of a pyridine ring. | 2.44 | 2 | 0 | beta-carbolines; mancude organic heterotricyclic parent | fungal metabolite; marine metabolite |
| 4-nitro-alpha-acetylamino-beta-hydroxypropiophenone 4-nitro-alpha-acetylamino-beta-hydroxypropiophenone: inhibitory agent for the differentiation of mammalian tuberculosis strains from other Mycobacteria | 2.15 | 1 | 0 | ||
| formetamide formetamide: RN given refers to cpd with unspecified isomeric designation | 2.15 | 1 | 0 | ||
| isbufylline isbufylline: RN from Toxlit | 2.15 | 1 | 0 | ||
| phenylacetylglycine phenylacetylglycine : A N-acylglycine that is glycine substituted on nitrogen with a phenylacetyl group. | 2.15 | 1 | 0 | monocarboxylic acid amide; monocarboxylic acid; N-acylglycine | human metabolite; mouse metabolite |
| N-benzoylanthranilic acid N-benzoylanthranilic acid : An amidobenzoic acid comprising benzoic acid having a benzamido group at the 2-position. | 2.15 | 1 | 0 | amidobenzoic acid | |
| butinoline [no description available] | 2.15 | 1 | 0 | diarylmethane | |
| n-(2-carboxyphenyl)glycine [no description available] | 2.15 | 1 | 0 | ||
| n,n-dimethyl-4-anisidine [no description available] | 2.15 | 1 | 0 | ||
| n-benzoylpiperidine [no description available] | 2.15 | 1 | 0 | benzamides; N-acylpiperidine | |
| 2-phenylcyclopropanecarboxylic acid 2-phenylcyclopropanecarboxylic acid: RN given for (trans)-isomer; structure in first source | 2.15 | 1 | 0 | ||
| n-demethylantipyrine [no description available] | 2.15 | 1 | 0 | pyrazoles; ring assembly | |
| 3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine [no description available] | 2.15 | 1 | 0 | 1,2,4-triazines | |
| 2-amino-5-bromopyridine [no description available] | 2.15 | 1 | 0 | ||
| n-benzoylalanine, (dl-ala)-isomer [no description available] | 2.15 | 1 | 0 | alanine derivative; N-acyl-amino acid | metabolite |
| bicinchoninic acid [no description available] | 2.15 | 1 | 0 | ||
| betamipron [no description available] | 2.15 | 1 | 0 | organonitrogen compound; organooxygen compound | |
| benzoylpropionic acid benzoylpropionic acid: structure in first source. 4-oxo-4-phenylbutyric acid : A 4-oxo monocarboxylic acid that is butyric acid bearing oxo and phenyl substituents at position 4. | 2.15 | 1 | 0 | 4-oxo monocarboxylic acid | hapten |
| Evoxine [no description available] | 2.15 | 1 | 0 | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
| N-Benzylphthalimide [no description available] | 2.15 | 1 | 0 | isoindoles | |
| pyromellitic diimide pyromellitic diimide: RN given refers to parent cpd | 2.15 | 1 | 0 | ||
| 4'-bromosalicylanilide 4'-bromosalicylanilide: photoproduct from UV-irradiation of tribromsalan; structure | 2.15 | 1 | 0 | ||
| 2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane 2,2-bis(4-hydroxyphenyl)-1,1,1-trichloroethane: methoxychlor metabolite | 2.15 | 1 | 0 | bisphenol | |
| terephthalamide [no description available] | 2.15 | 1 | 0 | benzenedicarboxamide | |
| 3(2h)-pyridazinone, 4-chloro-5-(dimethylamino)-2-phenyl- [no description available] | 2.15 | 1 | 0 | ||
| 2-nitrophenylacetic acid (2-nitrophenyl)acetic acid : A member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl grup is substituted at the ortho- position by a nitro group. | 2.15 | 1 | 0 | C-nitro compound; phenylacetic acids | |
| onychine [no description available] | 2.15 | 1 | 0 | ||
| 4'-methoxyflavone 4'-methoxyflavone: from seeds of Psoralea corylifolia (Fabaceae); structure in first source | 2.15 | 1 | 0 | ether; flavonoids | |
| 1,3-diphenyl-2-aminopropane 1,3-diphenyl-2-aminopropane: structure given in the first source | 2.15 | 1 | 0 | ||
| 2,2-diphenylpropionic acid 2,2-diphenylpropionic acid: RN given refers to parent cpd | 2.15 | 1 | 0 | ||
| 3,4-dimethoxyphenylacetamide 3,4-dimethoxyphenylacetamide: structure | 2.15 | 1 | 0 | ||
| 2-amino-5-bromobenzoic acid 2-amino-5-bromobenzoic acid: structure in first source | 2.15 | 1 | 0 | ||
| 2-(1H-benzimidazol-2-yl)aniline 2-(1H-benzimidazol-2-yl)aniline : A member of the class of benzimidazoles that is 1H-benzimidazole substituted by a 2-aminophenyl group at position 2. | 2.15 | 1 | 0 | benzimidazoles; primary arylamine; substituted aniline | geroprotector |
| N-Acetylhomoveratrylamine [no description available] | 2.15 | 1 | 0 | acetamides | |
| 2-chlorobenzenesulfonamide [no description available] | 2.15 | 1 | 0 | ||
| 4-nitrophenyl dimethylcarbamate [no description available] | 2.15 | 1 | 0 | ||
| 8-(4-tolylsulfonylamino)quinoline 8-(4-tolylsulfonylamino)quinoline: has diabetogenic properties; can be used for fluorometric determination of zinc; structure given in first source | 2.15 | 1 | 0 | sulfonamide | |
| 5-methoxyindole-3-carbaldehyde [no description available] | 2.15 | 1 | 0 | indoles | |
| 2-oxo-1,2-dihydroquinoline-4-carboxylic acid [no description available] | 2.15 | 1 | 0 | quinolinemonocarboxylic acid | |
| 6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one [no description available] | 2.15 | 1 | 0 | beta-carbolines | |
| pd 147953 [no description available] | 2.15 | 1 | 0 | ||
| fenozan fenozan: do not confuse with the phenothiazine phenosan | 2.15 | 1 | 0 | ||
| 5-phenylbarbituric acid 5-phenylbarbituric acid: RN given refers to parent cpd | 2.15 | 1 | 0 | ||
| diethylpropion hydrochloride diethylpropion hydrochloride : The hydrochloride salt of diethylpropion. A central stimulant and indirect-acting sympathomimetic, it is an appetite depressant and is used as an anoretic in the short term management of obesity. | 2.15 | 1 | 0 | hydrochloride | appetite depressant |
| 1-(4'-nitrophenyl)-2-aminopropane-1,3-diol 1-(4'-nitrophenyl)-2-aminopropane-1,3-diol: chloramphenicol minus dichloroacetamide side chain; RN given refers to cpd without isomeric designation | 2.15 | 1 | 0 | ||
| beta-hydroxyphenylalanine beta-hydroxyphenylalanine: RN given refers to beta cpd | 2.15 | 1 | 0 | ||
| 3-(n-salicyloyl)amino-1,2,4-triazole 3-(N-salicyloyl)amino-1,2,4-triazole: synthetic chelating agent used chiefly to inhibit corrosion of copper | 2.15 | 1 | 0 | ||
| 7-chloro-4-aminoquinoline 7-chloro-4-aminoquinoline: structure given in first source | 2.15 | 1 | 0 | aminoquinoline | |
| acridine-9-carboxylic acid [no description available] | 2.15 | 1 | 0 | ||
| 1-phenazinecarboxylic acid 1-phenazinecarboxylic acid: from Streptomyces cinnamonensis; RN given refers to parent cpd; structure given in first source. phenazine-1-carboxylic acid : An aromatic carboxylic acid that is phenazine substituted at C-1 with a carboxy group. | 2.15 | 1 | 0 | aromatic carboxylic acid; monocarboxylic acid; phenazines | antifungal agent; antimicrobial agent; bacterial metabolite |
| 4,5-diphenyl-1,5-dihydroimidazol-2-one [no description available] | 2.15 | 1 | 0 | stilbenoid | |
| 2-hydroxy-1,2-bis(methoxyphenyl)ethanone 2-hydroxy-1,2-bis(methoxyphenyl)ethanone: structure given in first source | 2.15 | 1 | 0 | ||
| 4-methyl-N-(phenylmethyl)benzenesulfonamide [no description available] | 2.15 | 1 | 0 | sulfonamide | |
| 4-n-butylaminobenzoic acid 4-n-butylaminobenzoic acid: degradation product of tetracaine. 4-(butylamino)benzoic acid : 4-Aminobenzoic acid in which one of the hydrogens attached to the nitrogen is substituted by a butyl group. | 2.15 | 1 | 0 | aromatic amino acid | |
| fluoren-9-ol [no description available] | 2.15 | 1 | 0 | ||
| 1-(2-carboxyethyl)uracil [no description available] | 2.15 | 1 | 0 | ||
| 1-benzylindole 1-benzylindole: structure | 2.15 | 1 | 0 | ||
| 2,3-bis(2-pyridinyl)quinoxaline [no description available] | 2.15 | 1 | 0 | quinoxaline derivative | |
| 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol : A member of the class of hydroxybiphenyls formed formally by chlorination of biphenyl-4,4'-diol at C-3, -3', -5 and -5'. | 2.15 | 1 | 0 | dichlorobenzene; hydroxybiphenyls | |
| 5-nitro-2-(1-piperidinyl)pyridine [no description available] | 2.15 | 1 | 0 | C-nitro compound | |
| canthin-6-one canthin-6-one: from Zanthoxylum usambarense; structure in first source. canthin-6-one : An indole alkaloid that is 6H-indolo[3,2,1-de][1,5]naphthyridine substituted by an oxo group at position 6. | 2.11 | 1 | 0 | enone; indole alkaloid; organic heterotetracyclic compound | antimycobacterial drug; metabolite |
| 2-amino-5,7-dimethyl-1,8-naphthyridine 2-amino-5,7-dimethyl-1,8-naphthyridine: structure in first source | 2.15 | 1 | 0 | ||
| 5-benzyloxytryptophan [no description available] | 2.15 | 1 | 0 | ||
| 1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid 1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid: structure given in first source; RN given refers to cpd without isomeric designation. 1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid : A member of the class of beta-carbolines that is 1,2,3,4-tetrahydro-beta-carboline substituted at position 3 by a carboxy group. | 3.72 | 10 | 0 | alpha-amino acid; aromatic amino acid; beta-carboline alkaloid | human urinary metabolite; human xenobiotic metabolite; plant metabolite; rat metabolite |
| 2,5-diethoxy-4-morpholinoaniline 2,5-diethoxy-4-morpholinoaniline: structure in first source | 2.15 | 1 | 0 | ||
| 3-hydroxy-3-phenacyloxindole [no description available] | 2.15 | 1 | 0 | ||
| carbobenzoxyphenylalanine, (dl-phe)-isomer [no description available] | 2.15 | 1 | 0 | ||
| 1,1'-ethylidene bis(tryptophan) 1,1'-ethylidene bis(tryptophan): may be associated with eosinophilla-myalgia syndrome; structure given in first source | 3.08 | 5 | 0 | ||
| beta-carboline-3-carboxylic acid methyl ester beta-carboline-3-carboxylic acid methyl ester: structure given in first source | 2.11 | 1 | 0 | beta-carbolines | |
| tryptoline tryptoline: neurotoxic factor that may be involved in development of Parkinson's disease; enzymatic prep from human brain converts tryptamine to tryptoline; RN given refers to parent cpd; structure | 2.91 | 4 | 0 | beta-carbolines | |
| gamma-fagarine gamma-fagarine: active alkaloid of Chinese medicines from Dictamni radicis cortex (Rutaceae); structure given in first source | 2.15 | 1 | 0 | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
| 3-(phenylamino)alanine 3-(phenylamino)alanine: structure given in second source | 1.99 | 1 | 0 | ||
| maculosin maculosin: RN refers to (3S-trans)-isomer; isolated from Alternaria alternata; structure given in first source. maculosin : A homodetic cyclic peptide that is a dipeptide composed of L-proline and L-tyrosine joined by peptide linkages. | 2.11 | 1 | 0 | dipeptide; homodetic cyclic peptide; phenols; pyrrolopyrazine | metabolite |
| 3-carboxymethyl-6-benzyl-2,5-diketopiperazine 3-carboxymethyl-6-benzyl-2,5-diketopiperazine: formed in aqueous solution by aspartame; structure given in first source | 2.15 | 1 | 0 | organonitrogen compound; organooxygen compound | |
| 4-fluorobenzenesulfonamide 4-fluorobenzenesulfonamide: structure given in first source | 2.15 | 1 | 0 | ||
| emoxypine succinate emoxypine succinate: has antihypoxic effects | 2.15 | 1 | 0 | ||
| n-carbamyltryptophan N-carbamyltryptophan: RN given refers to (D)-isomer | 2.15 | 1 | 0 | ||
| 2,4,6-trimethoxyacetophenone 2,4,6-trimethoxyacetophenone: structure in first source | 2.15 | 1 | 0 | ||
| 1-(2-hydroxyethyl)-3,5-diphenyl-1h-pyrazole 1-(2-hydroxyethyl)-3,5-diphenyl-1H-pyrazole: structure given in first source | 2.15 | 1 | 0 | ||
| 4-methyoxybenzoyl-n-glycine [no description available] | 2.15 | 1 | 0 | N-acylglycine | |
| 5-ethoxy-2-ethylmercaptobenzimidazole 5-ethoxy-2-ethylmercaptobenzimidazole: has activating effect on peritoneal macrophages; RN given does not give position for ethoxy group | 2.15 | 1 | 0 | ||
| 5(6)-1(2h)-phthalazinonyl-4(1h)-benzimidazole-2-carbamate methyl ester [no description available] | 2.15 | 1 | 0 | ||
| n-phenyliminodiacetic acid [no description available] | 2.15 | 1 | 0 | ||
| proline Proline: A non-essential amino acid that is synthesized from GLUTAMIC ACID. It is an essential component of COLLAGEN and is important for proper functioning of joints and tendons.. proline : An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2. | 1.97 | 1 | 0 | amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid | algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite |
| teomorfolin teomorfolin: structure given in first source | 2.15 | 1 | 0 | ||
| 1-(1,3-benzodioxol-5-yl)-3-(1-piperidinyl)-1-propanone [no description available] | 2.15 | 1 | 0 | benzodioxoles | |
| n-(aminocarbonyl)-2-chlorobenzenesulfonamide [no description available] | 2.15 | 1 | 0 | ||
| 3-hydroxy-2-quinoxalinepropionic acid [no description available] | 2.15 | 1 | 0 | ||
| 8-(methylsulfonylamino)quinoline 8-(methylsulfonylamino)quinoline: has diabetogenic properties; structure given in first source | 2.15 | 1 | 0 | ||
| n(4)-acetylsulfamonomethoxine N(4)-acetylsulfamonomethoxine: main urinary metabolite of sulfamonomethoxine in pigs | 2.15 | 1 | 0 | ||
| 8-(4-benzenesulfonylamino)quinoline 8-(4-benzenesulfonylamino)quinoline: has diabetogenic properties; structure given in first source | 2.15 | 1 | 0 | ||
| methindione methindione: used in treatment of epilepsy; RN given refers to parent cpd; structure | 2.15 | 1 | 0 | ||
| ferric thiocyanate [no description available] | 2 | 1 | 0 | ||
| 3,4-dihydroxybenzophenone 3,4-dihydroxybenzophenone: structure in first source | 2.15 | 1 | 0 | ||
| n-valyltryptophan N-valyltryptophan: RN given refers to (L)-isomer | 2.11 | 1 | 0 | peptide | |
| gamma-propanol [no description available] | 2.15 | 1 | 0 | ||
| brevianamide f brevianamide F: isolated from the endophyte from Aspergillus fumigatus associated with Melia azedarach L that could be used to develop a natural eco-friendly herbicide.structure in first source. brevianamide F : A pyrrolopyrazine that is hexahydropyrrolo[1,2-a]pyrazine-1,4-dione bearing an indol-3-ylmethyl substituent at position 3 (the 3S,8aS-diastereomer, obtained by formal cyclocondensation of L-tryptophan and L-proline). | 2.11 | 1 | 0 | dipeptide; indoles; pyrrolopyrazine | metabolite |
| 2-[(3-oxo-1-cyclohexenyl)amino]benzonitrile [no description available] | 2.15 | 1 | 0 | benzenes; nitrile | |
| isonicotinylamide gaba [no description available] | 2.15 | 1 | 0 | ||
| 5-fluorotryptamine monohydrochloride [no description available] | 2.15 | 1 | 0 | ||
| 4-iodo-n-(2-(4-morpholinyl)ethyl)benzamide 4-iodo-N-(2-(4-morpholinyl)ethyl)benzamide: the iodinated analog of moclobemide; structure given in first source | 2.15 | 1 | 0 | ||
| 3-(hydroxyacetyl)indole 3-(hydroxyacetyl)indole: structure in first source | 2.15 | 1 | 0 | indoles | |
| n-(4-aminophenylsulfonyl)morpholine compound 82 208: structure given in first source | 2.15 | 1 | 0 | ||
| 1H-indol-3-yl-(4-methoxyphenyl)methanone [no description available] | 2.15 | 1 | 0 | N-acylindole | |
| 2-amino-5-phenyl-1,3,4-thiadiazole 2-amino-5-phenyl-1,3,4-thiadiazole: structure in first source | 2.15 | 1 | 0 | ||
| N-(1-phenylethyl)acetamide N-(1-phenylethyl)acetamide : A member of the class of acetamides resulting from the formal condensation of the amino group of 1-phenylethylamine with 1 mol eq. of acetic acid. | 2.15 | 1 | 0 | acetamides; secondary carboxamide | |
| alpha-(trichloromethyl)-4-pyridineethanol alpha-(trichloromethyl)-4-pyridineethanol: activates caspase-3 | 2.15 | 1 | 0 | pyridines | |
| ml 204 ML 204: modulates both TRPC4 and TRPC5 channels; structure in first source | 2.15 | 1 | 0 | ||
| eudesmin eudesmin: RN refers to (1R-(1alpha,3aalpha,4alpha,6aalpha))-isomer; structure given in first source; very similar to pinoresinol | 2.15 | 1 | 0 | ||
| 5-hydroxymethylfurfural 5-hydroxymethylfurfural: has antisickling activity; HMF is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. 5-hydroxymethylfurfural : A member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and especially by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. | 2.07 | 1 | 0 | arenecarbaldehyde; furans; primary alcohol | indicator; Maillard reaction product |
| 2-amino-4-methyl-3-nitropyridine [no description available] | 2.15 | 1 | 0 | ||
| 4,4-bis(hydroxymethyl)-2-phenyl-2-oxazoline 4,4-bis(hydroxymethyl)-2-phenyl-2-oxazoline: Anticonvulsant | 2.15 | 1 | 0 | ||
| 5-methoxycanthin-6-one 5-methoxycanthin-6-one: isolated from Zanthoxylum chiloperone; structure in first source | 2.11 | 1 | 0 | alkaloid; organic heterotetracyclic compound | |
| n-acetylhistidine [no description available] | 2.15 | 1 | 0 | histidine derivative; N-acetyl-amino acid | |
| 1-(1-oxo-2-phenylethyl)-4-piperidinecarboxylic acid [no description available] | 2.15 | 1 | 0 | acetamides | |
| 1-(4-chlorophenyl)-3-(2-ethoxyphenyl)urea [no description available] | 2.15 | 1 | 0 | ureas | |
| 4-methoxyxanthone 4-methoxyxanthone: a vasodilator; structure in first source | 2.15 | 1 | 0 | ||
| N-(4-nitrophenyl)-2-phenoxyacetamide [no description available] | 2.15 | 1 | 0 | C-nitro compound | |
| 1-phenylindolin-2-one 1-phenylindolin-2-one: structure in first source | 2.15 | 1 | 0 | ||
| 1-(benzenesulfonyl)indole [no description available] | 2.15 | 1 | 0 | sulfonamide | |
| 2,4,4,6-Tetramethyl-1,4-dihydro-3,5-pyridinedicarbonitrile [no description available] | 2.15 | 1 | 0 | dihydropyridine | |
| pifithrin mu 2-phenylacetylenesulfonamide: induces p53-independent apoptotic killing of B-chronic lymphocytic leukemia cells; also inhibits Hsp70 and autophagy | 2.15 | 1 | 0 | benzenes | |
| Amalorin [no description available] | 2.11 | 1 | 0 | alkaloid; organic heterotetracyclic compound | |
| 2-benzyloxybenzaldehyde [no description available] | 2.15 | 1 | 0 | ||
| 2-guanidine-4-methylquinazoline 2-guanidine-4-methylquinazoline: structure given in first source | 2.15 | 1 | 0 | ||
| N-phenylcarbamic acid 2-phenoxyethyl ester [no description available] | 2.15 | 1 | 0 | carbamate ester | |
| 3,4-dihydro-2H-benzo[4,5]imidazo[2,1-b][1,3]thiazin-3-ol [no description available] | 2.15 | 1 | 0 | benzimidazoles | |
| mequindox Mequindox: a synthetic quinoxaline 1,4-dioxide derivative which can effectively improve growth and feed efficiency in animals; structure in first source | 2.15 | 1 | 0 | ||
| N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide [no description available] | 2.15 | 1 | 0 | diarylmethane | |
| Girgensonine [no description available] | 2.15 | 1 | 0 | nitrile | |
| Dubinidine [no description available] | 2.15 | 1 | 0 | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
| N-[4-(methanesulfonamido)phenyl]acetamide [no description available] | 2.15 | 1 | 0 | sulfonamide | |
| 4-(2-oxazolo[4,5-b]pyridinyl)aniline [no description available] | 2.15 | 1 | 0 | 1,3-oxazoles | |
| 2-[(4-nitrophenyl)methylthio]-1,3-benzoxazole [no description available] | 2.15 | 1 | 0 | benzoxazole | |
| 3-oxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnolin-3-ium [no description available] | 2.15 | 1 | 0 | pyridazines | |
| 3-(2,4-difluoroanilino)-5,5-dimethyl-1-cyclohex-2-enone [no description available] | 2.15 | 1 | 0 | substituted aniline | |
| 1-phenyl-4-pyrazolol [no description available] | 2.15 | 1 | 0 | pyrazoles; ring assembly | |
| 3-(3,5-dimethyl-1-pyrazolyl)-1,2-benzothiazole 1,1-dioxide [no description available] | 2.15 | 1 | 0 | benzothiazoles | |
| 3-benzamido-2-benzofurancarboxamide [no description available] | 2.15 | 1 | 0 | benzofurans | |
| N-[2-(4-methoxyphenyl)ethyl]acetamide [no description available] | 2.15 | 1 | 0 | acetamides | |
| N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide [no description available] | 2.15 | 1 | 0 | aromatic ether | |
| 2-(1H-indol-3-ylthio)acetic acid [no description available] | 2.15 | 1 | 0 | indoles | |
| 3-bromo-N-[2-(4-nitroanilino)ethyl]benzamide [no description available] | 2.15 | 1 | 0 | carbonyl compound; organohalogen compound | |
| 3-Methylbenzofuran-2-carboxylic acid [no description available] | 2.15 | 1 | 0 | benzofurans | |
| 5-(3,4-dimethoxyphenyl)-2H-tetrazole [no description available] | 2.15 | 1 | 0 | tetrazoles | |
| 1-(4-fluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine [no description available] | 2.15 | 1 | 0 | piperazines | |
| 4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol [no description available] | 2.15 | 1 | 0 | alkylbenzene | |
| 2-phenylindole-3-carbaldehyde 2-phenylindole-3-carbaldehyde: structure in first source | 2.15 | 1 | 0 | ||
| 4-(2-pyridinylthio)benzofuro[3,2-d]pyrimidine [no description available] | 2.15 | 1 | 0 | aryl sulfide | |
| 5-(4-nitrophenyl)-4-phenyl-2-thiazolamine [no description available] | 2.15 | 1 | 0 | C-nitro compound | |
| 3-[6-(4-aminophenyl)-2-phenyl-4-pyrimidinyl]aniline [no description available] | 2.15 | 1 | 0 | pyrimidines | |
| 7-methoxyisoflavone 7-methoxyisoflavone : A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 7. | 2.15 | 1 | 0 | 7-methoxyisoflavones | |
| Methyl nigakinone 4,5-dimethoxycanthin-6-one: an active metabolite of Picrasma quassiodes; structure in first source | 2.11 | 1 | 0 | beta-carbolines | |
| 1-acetyl-beta-carboline 1-acetyl-beta-carboline: structure in first source | 2.11 | 1 | 0 | harmala alkaloid | metabolite |
| LSM-32392 [no description available] | 2.15 | 1 | 0 | monoterpenoid | |
| N-[2-(1-cyclohexenyl)ethyl]-4-(4-morpholinylmethyl)benzamide [no description available] | 2.15 | 1 | 0 | benzamides | |
| 1-(1-benzimidazolyl)-3-(1-cyclohex-3-enylmethoxy)-2-propanol [no description available] | 2.15 | 1 | 0 | benzimidazoles | |
| N-[2-(2-furanylmethylthio)ethyl]-4-methoxybenzenesulfonamide [no description available] | 2.15 | 1 | 0 | sulfonamide | |
| 3-acetamido-5-chloro-2-benzofurancarboxylic acid [no description available] | 2.15 | 1 | 0 | benzofurans | |
| [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2,6-dimethoxyphenyl)methanone [no description available] | 2.15 | 1 | 0 | dimethoxybenzene | |
| 4-[4-methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]morpholine [no description available] | 2.15 | 1 | 0 | N-arylpiperazine | |
| haplamine haplamine: isolated from Haplophyllum acutifolium; structure in first source | 2.15 | 1 | 0 | organic heterotricyclic compound; organonitrogen heterocyclic compound; oxacycle | |
| 5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine [no description available] | 2.15 | 1 | 0 | triazoles | |
| 2-ethoxy-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide [no description available] | 2.15 | 1 | 0 | benzamides | |
| 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-phenylethanone [no description available] | 2.15 | 1 | 0 | aromatic ketone | |
| 1-ethyl-6-methoxy-4-oxo-3-quinolinecarboxylic acid [no description available] | 2.15 | 1 | 0 | quinolines | |
| 2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline 2-(pyridin-4-yl)-4-(pyrrolidin-1-yl)quinazoline : A member of the class of quinazolines that is quinazoline which is substituted at positions 2 and 4 by pyridin-4-yl and pyrrolidin-1-yl groups, respectively. | 2.15 | 1 | 0 | pyridines; pyrrolidines; quinazolines | |
| scp 1 [no description available] | 2.15 | 1 | 0 | ||
| N-(3-acetamidophenyl)-4-methoxybenzamide [no description available] | 2.15 | 1 | 0 | benzamides | |
| N-(3-acetamidophenyl)-3-chlorobenzamide [no description available] | 2.15 | 1 | 0 | benzamides | |
| 4-methoxy-N-(5-methyl-3-isoxazolyl)benzamide [no description available] | 2.15 | 1 | 0 | benzamides | |
| N-(2-fluorophenyl)-4-phenylmethoxybenzamide [no description available] | 2.15 | 1 | 0 | benzamides | |
| N-[4-(diethylamino)phenyl]-2-furancarboxamide [no description available] | 2.15 | 1 | 0 | aromatic amide; furans | |
| N-(2-furanylmethyl)-2-benzofurancarboxamide [no description available] | 2.15 | 1 | 0 | benzofurans | |
| 5-(2-phenylethyl)-1,3,4-thiadiazol-2-amine [no description available] | 2.15 | 1 | 0 | aromatic amine; thiadiazoles | |
| te 5 [no description available] | 2.15 | 1 | 0 | ||
| 2-[[anilino(oxo)methyl]amino]-4,5-dimethyl-3-thiophenecarboxamide [no description available] | 2.15 | 1 | 0 | ureas | |
| N-(4,6-dimethyl-2-pyrimidinyl)-1,3-benzothiazol-2-amine [no description available] | 2.15 | 1 | 0 | benzothiazoles | |
| 6-methylflavone 6-methylflavone: structure in first source | 2.15 | 1 | 0 | ||
| 2-methoxy-N-(2-pyridinyl)benzamide [no description available] | 2.15 | 1 | 0 | benzamides | |
| 2-chloro-N-(2-phenylethyl)benzamide [no description available] | 2.15 | 1 | 0 | carbonyl compound; organohalogen compound | |
| N1-(4H-1,2,4-triazol-4-yl)-4-nitrobenzamide [no description available] | 2.15 | 1 | 0 | C-nitro compound | |
| N-[2-(1-cyclohexenyl)ethyl]-4-fluorobenzamide [no description available] | 2.15 | 1 | 0 | carbonyl compound; organohalogen compound | |
| tioxazafen tioxazafen : A 1,2,4-oxadizole in which the hydrogens at positions 3 and 5 have been replaced by phenyl and thiophen-2-yl groups, respectively. It is used as a broad spectrum nematicidal seed treatment. | 2.15 | 1 | 0 | 1,2,4-oxadiazole; thiophenes | agrochemical; nematicide |
| N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide [no description available] | 2.15 | 1 | 0 | aromatic amide | |
| 1-(4-Methoxyphenyl)-2-nitroethylene 4-methoxy-beta-nitrostyrene: has vasodilator activity; structure in first source | 2.15 | 1 | 0 | methoxybenzenes | |
| brd32048 BRD32048: inhibits ETV1 oncoprotein; structure in first source | 2.15 | 1 | 0 | methoxybenzenes; substituted aniline | |
| 2-(4-chloro-3-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide [no description available] | 2.15 | 1 | 0 | aromatic ether | |
| 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine [no description available] | 2.15 | 1 | 0 | imidazoles | |
| 5-(2-phenyl-4-triazolyl)-2H-tetrazole [no description available] | 2.15 | 1 | 0 | triazoles | |
| N-cyclohexyl-2,3-dihydroindole-1-carboxamide [no description available] | 2.15 | 1 | 0 | indolyl carboxylic acid | |
| 4-(benzylsulfanyl)thieno[2,3-d]pyrimidine 4-(benzylsulfanyl)thieno[2,3-d]pyrimidine : A thienopyrimidine that is thieno[2,3-d]pyrimidine which is substituted at position 4 by a benzylsulfanediyl group. | 2.15 | 1 | 0 | aryl sulfide; benzenes; thienopyrimidine | |
| 2-methyl-5-(5-methyl-2-furanyl)-3-(1-pyrrolyl)-4-thieno[2,3-d]pyrimidinone [no description available] | 2.15 | 1 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound | |
| 1-[2-(dimethylamino)ethyl]-5-methoxy-N-methyl-2-indolecarboxamide [no description available] | 2.15 | 1 | 0 | indolecarboxamide | |
| N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide [no description available] | 2.15 | 1 | 0 | benzamides | |
| 4-(1H-benzimidazol-2-yl)quinoline [no description available] | 2.15 | 1 | 0 | quinolines | |
| 1-(4-Chlorophenyl)-2-[(1-methyl-1H-imidazol-2-yl)thio]ethan-1-one [no description available] | 2.15 | 1 | 0 | aromatic ketone | |
| N-(2,5-dimethylphenyl)-2-benzofurancarboxamide [no description available] | 2.15 | 1 | 0 | aromatic amide; furans | |
| N-(4-methoxyphenyl)-2-benzofurancarboxamide [no description available] | 2.15 | 1 | 0 | aromatic amide; furans | |
| 2-(9h-xanthen-9-yl)-malonic acid [no description available] | 2.15 | 1 | 0 | xanthenes | |
| 1-(1,3-benzothiazol-2-yl)-3-phenylurea [no description available] | 2.15 | 1 | 0 | ureas | |
| 1-hydroxy-2-phenyl-1,5,6,7-tetrahydro-4H-benzimidazol-4-one [no description available] | 2.15 | 1 | 0 | imidazoles | |
| N-(4-acetamidophenyl)-2-bromobenzamide [no description available] | 2.15 | 1 | 0 | benzamides | |
| 4-bromo-N-phenacylbenzamide [no description available] | 2.15 | 1 | 0 | aromatic ketone | |
| 1-(2,3-dihydroindol-1-yl)-2-(phenylthio)ethanone [no description available] | 2.15 | 1 | 0 | indoles | |
| N-[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]-3-pyridinecarboxamide [no description available] | 2.15 | 1 | 0 | triazoles | |
| N,N-dimethyl-N'-p-tolylsulfamide N,N-dimethyl-N'-p-tolylsulfamide : A member of the class of sulfamides that is N,N-dimethylsulfuric diamide substituted by a 4-methylphenyl group at the amino nitrogen atom. It is a metabolite of the agrochemical tolylfluanid. | 2.15 | 1 | 0 | sulfamides | marine xenobiotic metabolite |
| 2-(1-piperidinylmethyl)phenol 2-(1-piperidinylmethyl)phenol: structure in first source | 2.15 | 1 | 0 | ||
| 2,6-bis(benzimidazol-2-yl)pyridine 2,6-bis(benzimidazol-2-yl)pyridine: structure in first source | 2.15 | 1 | 0 | benzimidazoles | |
| 1-cyclohexyl-3-(2-phenylethyl)urea [no description available] | 2.15 | 1 | 0 | benzenes | |
| 1-(3,5-dichlorophenyl)-3-phenylurea [no description available] | 2.15 | 1 | 0 | ureas | |
| 1-(cyclohexylmethyl)-4-phenylpiperazine [no description available] | 2.15 | 1 | 0 | piperazines | |
| N-phenethyl-2-furamide [no description available] | 2.15 | 1 | 0 | aromatic amide; heteroarene | |
| paromomycin sulfate [no description available] | 2.15 | 1 | 0 | ||
| N,N,2-trimethyl-1-phenyl-5-benzimidazolesulfonamide [no description available] | 2.15 | 1 | 0 | benzimidazoles | |
| N-(phenylmethyl)-4-(3-pyridinyl)-2-thiazolamine [no description available] | 2.15 | 1 | 0 | aralkylamine | |
| N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide [no description available] | 2.15 | 1 | 0 | monoterpenoid | |
| 2-amino-5-ethyl-4-(2-furanyl)-6-propyl-3-pyridinecarbonitrile [no description available] | 2.15 | 1 | 0 | nitrile; pyridines | |
| 2-ethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide [no description available] | 2.15 | 1 | 0 | benzamides | |
| vu0099704 VU0099704: an antagonist of protease activated receptor 4 (PAR-4); structure in first source | 2.15 | 1 | 0 | ||
| 3-(4-chlorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one [no description available] | 2.15 | 1 | 0 | pyrazoles; ring assembly | |
| 1-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoline [no description available] | 2.15 | 1 | 0 | triazoles | |
| 2-methyl-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)propanamide [no description available] | 2.15 | 1 | 0 | pyrroloquinoline | |
| 2-methyl-5-[(2-methyl-4-quinolinyl)thio]-1,3,4-thiadiazole [no description available] | 2.15 | 1 | 0 | aryl sulfide | |
| 5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1h-pyrido(3,2-b)indole-3-carbonitrile VRX-413638: structure in first source | 2.15 | 1 | 0 | ||
| (3-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[d]imidazol-2-yl)-phenylmethanone [no description available] | 2.15 | 1 | 0 | aromatic ketone | |
| 2-fluoro-N-phenacylbenzamide [no description available] | 2.15 | 1 | 0 | aromatic ketone | |
| 4-(methoxymethyl)-6-methyl-2-(2-methylanilino)-3-pyridinecarbonitrile [no description available] | 2.15 | 1 | 0 | nitrile; pyridines | |
| 1-azepanyl-[2-methoxy-4-(methylthio)phenyl]methanone [no description available] | 2.15 | 1 | 0 | carbonyl compound; thiol | |
| GS4012 free base GS4012 free base : A member of the class of pyridines that is 2-(pyridin-4-yl)ethane-1-thiol in which the thiol hydrogen is replaced by a 4-methoxyphenyl group. | 2.15 | 1 | 0 | aryl sulfide; monomethoxybenzene; pyridines | VEGF activator |
| N-[1-(4-methylphenyl)-5-benzimidazolyl]acetamide [no description available] | 2.15 | 1 | 0 | benzimidazoles | |
| 2-(4-methylanilino)-1-(4-nitrophenyl)ethanone [no description available] | 2.15 | 1 | 0 | aromatic ketone | |
| N-(2,6-dimethylphenyl)-N(2)-(3,5-dimethylphenyl)glycinamide N-(2,6-dimethylphenyl)-N(2)-(3,5-dimethylphenyl)glycinamide : An amino acid amide obtained by the formal condensation of 2,6-dimethylaniline with N-(3,5-dimethylphenyl)glycine. | 2.15 | 1 | 0 | amino acid amide; glycine derivative | |
| 2-[4-[(3-fluorophenyl)methyl]-1-piperazinyl]pyrimidine [no description available] | 2.15 | 1 | 0 | N-arylpiperazine | |
| 1-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine [no description available] | 2.15 | 1 | 0 | piperazines | |
| 4-Piperidinobenzoic acid [no description available] | 2.15 | 1 | 0 | piperidines | |
| 1-(2-methoxyphenyl)-4-(3-thiophenylmethyl)piperazine [no description available] | 2.15 | 1 | 0 | piperazines | |
| N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(1-pyrrolidinyl)acetamide [no description available] | 2.15 | 1 | 0 | pyrroloquinoline | |
| 4-[(1H-benzimidazol-2-ylthio)methyl]-2-thiazolamine [no description available] | 2.15 | 1 | 0 | benzimidazoles | |
| 4-[(4-phenyl-2-thiazolyl)amino]benzenesulfonamide [no description available] | 2.15 | 1 | 0 | sulfonamide | |
| N-[7-(1-oxopropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide [no description available] | 2.15 | 1 | 0 | benzodioxine | |
| N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-furancarboxamide [no description available] | 2.15 | 1 | 0 | aromatic amide; furans | |
| n-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine N-(pyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine: an SK channel inhibitor | 2.15 | 1 | 0 | ||
| 8-(3,5-dimethyl-1-pyrazolyl)quinoline [no description available] | 2.15 | 1 | 0 | quinolines | |
| 2'-nitroflavone 2'-nitroflavone: has antineoplastic activity | 2.15 | 1 | 0 | ||
| N-(4-methoxyphenyl)-3,4-dihydroquinolin-2-amine [no description available] | 2.15 | 1 | 0 | aminoquinoline | |
| 1-(3-nitrophenyl)-3-phenyl-2-propyn-1-one [no description available] | 2.15 | 1 | 0 | aromatic compound | |
| vrt 532 VRT 532: a CFTR potentiator; structure in first source | 2.15 | 1 | 0 | ||
| 4-[[4-(2,5-dimethylphenyl)-1-piperazinyl]methyl]-2-methoxyphenol [no description available] | 2.15 | 1 | 0 | piperazines | |
| 1-piperonylpiperidine 1-piperonylpiperidine: an AMPA receptor modulator; structure in first source | 2.15 | 1 | 0 | ||
| 2-[(3-fluorophenyl)methyl-(phenylmethyl)amino]ethanol [no description available] | 2.15 | 1 | 0 | aromatic amine | |
| 2-methoxy-4-[[2-(methylthio)anilino]methyl]phenol [no description available] | 2.15 | 1 | 0 | aromatic amine | |
| 6-ethyl-5-methyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one [no description available] | 2.15 | 1 | 0 | pyrazolopyrimidine | |
| N-[4-(2-methyl-4-thiazolyl)phenyl]benzamide [no description available] | 2.15 | 1 | 0 | benzamides | |
| N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide [no description available] | 2.15 | 1 | 0 | imidazoles | |
| 2-(phenylmethylthio)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole [no description available] | 2.15 | 1 | 0 | aryl sulfide | |
| 5-methyl-N-(4,5,6-trimethyl-2-pyrimidinyl)-1,3-benzoxazol-2-amine [no description available] | 2.15 | 1 | 0 | benzoxazole | |
| 1-(4-methoxyphenyl)-3-(6-methyl-2-pyridinyl)urea [no description available] | 2.15 | 1 | 0 | ureas | |
| 2-{[hydroxy(2-methoxyphenyl)methylidene]amino}acetic acid [no description available] | 2.15 | 1 | 0 | N-acylglycine | |
| (4-methoxyphenyl)-(3-methyl-2-propyl-4-imidazolyl)methanone [no description available] | 2.15 | 1 | 0 | aromatic ketone | |
| N-(3-acetamidophenyl)-2-chlorobenzamide [no description available] | 2.15 | 1 | 0 | benzamides | |
| N4,N4-dimethyl-N1-(4-nitro-1,1-dioxo-2,5-dihydrothiophen-3-yl)benzene-1,4-diamine [no description available] | 2.15 | 1 | 0 | dialkylarylamine; tertiary amino compound | |
| 2-bromo-N-(3-methoxyphenyl)benzamide [no description available] | 2.15 | 1 | 0 | benzamides | |
| 2-methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol [no description available] | 2.15 | 1 | 0 | aromatic ether; C-nitro compound | |
| 3-[[(2,5-dimethyl-3-furanyl)-oxomethyl]amino]benzoic acid [no description available] | 2.15 | 1 | 0 | aromatic amide; furans | |
| 1-(4-ethoxyphenyl)-3-(6-quinoxalinyl)urea [no description available] | 2.15 | 1 | 0 | quinoxaline derivative | |
| 2-(dimethylsulfamoylamino)-9H-fluorene [no description available] | 2.15 | 1 | 0 | fluorenes | |
| 4-chloro-1-ethyl-3-nitro-2-quinolinone [no description available] | 2.15 | 1 | 0 | nitro compound; quinolines | |
| 4-chloro-3-nitro-1-(phenylmethyl)-2-quinolinone [no description available] | 2.15 | 1 | 0 | quinolines | |
| 2,5-dimethyl-1-(phenylmethyl)pyrrole-3,4-dicarboxaldehyde [no description available] | 2.15 | 1 | 0 | arenecarbaldehyde | |
| 2-(2-chloro-6-fluorophenyl)-1-(2,4-dihydroxyphenyl)ethanone [no description available] | 2.15 | 1 | 0 | stilbenoid | |
| 4-methyl-N-(3-nitrophenyl)-5-phenyl-3-thiophenecarboxamide [no description available] | 2.15 | 1 | 0 | aromatic amide | |
| N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2,2,2-trichloroacetamide [no description available] | 2.15 | 1 | 0 | triazoles | |
| N-(2-fluoro-5-methylphenyl)-3-phenylpropanamide [no description available] | 2.15 | 1 | 0 | anilide | |
| N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide [no description available] | 2.15 | 1 | 0 | organofluorine compound | |
| 4-tert-butyl-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)benzamide [no description available] | 2.15 | 1 | 0 | phthalazines | |
| N-[2-(2-methylpropyl)-1,3-dioxo-5-isoindolyl]-2-furancarboxamide [no description available] | 2.15 | 1 | 0 | phthalimides | |
| 6-(1,4,5,7-tetramethyl-6-pyrrolo[3,4-d]pyridazinyl)quinoline [no description available] | 2.15 | 1 | 0 | quinolines | |
| 2-(3,4-dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone [no description available] | 2.15 | 1 | 0 | stilbenoid | |
| 5-(3-chloro-4-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole [no description available] | 2.15 | 1 | 0 | oxadiazole; ring assembly | |
| 5-(phenylmethyl)-3-(2-pyridinyl)-1,2,4-oxadiazole [no description available] | 2.15 | 1 | 0 | pyridines | |
| 2-methyl-5-(1-pyrrolidinyl)isoindole-1,3-dione [no description available] | 2.15 | 1 | 0 | phthalimides | |
| (2'-(4-aminophenyl)-(2,5'-bi-1h-benzimidazol)-5-amine) [no description available] | 2.15 | 1 | 0 | benzimidazoles | |
| N-(4-bromo-2-fluorophenyl)-2-methyl-3-furancarboxamide [no description available] | 2.15 | 1 | 0 | aromatic amide; furans | |
| 6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide [no description available] | 2.15 | 1 | 0 | carbazoles | |
| N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrazinecarboxamide [no description available] | 2.15 | 1 | 0 | primary carboxamide; pyrazines; secondary carboxamide | |
| N-(1,3-benzodioxol-5-yl)-5-methyl-2-furancarboxamide [no description available] | 2.15 | 1 | 0 | benzodioxoles | |
| 1-cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea [no description available] | 2.15 | 1 | 0 | benzodioxine | |
| 8-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)thio]quinoline [no description available] | 2.15 | 1 | 0 | aryl sulfide | |
| 1-[2-(2-chlorophenoxy)ethyl]benzimidazole [no description available] | 2.15 | 1 | 0 | benzimidazoles | |
| 4,5-dimethyl-2-[4-(3-nitrophenyl)-2-thiazolyl]-1H-pyrazol-3-one [no description available] | 2.15 | 1 | 0 | C-nitro compound | |
| 2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide [no description available] | 2.15 | 1 | 0 | sulfonamide | |
| 1-(4-fluorophenyl)-2-(2-pyridinylthio)ethanone [no description available] | 2.15 | 1 | 0 | aromatic ketone | |
| 3-methyl-6-(1-pyrrolidinyl)-[1,2,4]triazolo[4,3-b]pyridazine [no description available] | 2.15 | 1 | 0 | triazolopyridazine | |
| N-(3-acetylphenyl)-2-thiophen-2-ylacetamide [no description available] | 2.15 | 1 | 0 | aromatic ketone | |
| oncrasin-1 oncrasin-1: an antineoplastic agent; structure in first source. oncrasin-1 : A member of the class of indoles that is 1H-indole substituted by 4-chlorobenzyl and formyl groups at positions 1 and 3, respectively. It is an anti-cancer agent that is active against lung cancer cells with K-Ras mutations. | 2.15 | 1 | 0 | arenecarbaldehyde; indoles; monochlorobenzenes | antineoplastic agent; apoptosis inducer |
| N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide [no description available] | 2.15 | 1 | 0 | C-nitro compound | |
| 5-(1-methyl-2-benzimidazolyl)-2-thiophenecarboxaldehyde [no description available] | 2.15 | 1 | 0 | benzimidazoles | |
| N-(4-anilinophenyl)-2-methylpropanamide [no description available] | 2.15 | 1 | 0 | anilide | |
| N-(2-fluorophenyl)-3-phenylpropanamide [no description available] | 2.15 | 1 | 0 | anilide | |
| 1-[(Phenylthio)acetyl]piperidine [no description available] | 2.15 | 1 | 0 | N-acylpiperidine | |
| N-(3-hydroxyphenyl)-5-methyl-3-furancarboxamide [no description available] | 2.15 | 1 | 0 | aromatic amide; furans | |
| 3-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole [no description available] | 2.15 | 1 | 0 | oxadiazole; ring assembly | |
| 4-[(4-carboxy-2,6-dimethoxyphenoxy)methyl]-5-methyl-2-furancarboxylic acid [no description available] | 2.15 | 1 | 0 | trihydroxybenzoic acid | |
| 4-(4-morpholinylmethyl)-3-quinolinol [no description available] | 2.15 | 1 | 0 | quinolines | |
| 2-bromo-N-[3-(1-oxopropylamino)phenyl]benzamide [no description available] | 2.15 | 1 | 0 | benzamides | |
| 3-acetyl-2-methylbenzo[f]benzofuran-4,9-dione [no description available] | 2.15 | 1 | 0 | naphthofuran | |
| 5-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamide [no description available] | 2.15 | 1 | 0 | aromatic amide; heteroarene | |
| 1-azepanyl-[4-[(phenylthio)methyl]phenyl]methanone [no description available] | 2.15 | 1 | 0 | benzamides | |
| 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-fluorophenoxy)ethanone [no description available] | 2.15 | 1 | 0 | aromatic ketone | |
| N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-nitrophenyl)acetamide [no description available] | 2.15 | 1 | 0 | acetamides | |
| 3,4,5-triethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide [no description available] | 2.15 | 1 | 0 | benzamides | |
| 1-propylsulfonyl-4-(2-pyridinyl)piperazine [no description available] | 2.15 | 1 | 0 | piperazines; pyridines | |
| 2-(2-phenylethylthio)-3-pyridinecarboxylic acid [no description available] | 2.15 | 1 | 0 | aromatic carboxylic acid; pyridines | |
| 2-(2,3-dimethylphenoxy)-N-pyridin-4-ylacetamide [no description available] | 2.15 | 1 | 0 | aromatic ether | |
| 2-[[anilino(oxo)methyl]amino]-N-(phenylmethyl)benzamide [no description available] | 2.15 | 1 | 0 | benzamides | |
| N-(5-acetyl-4-methyl-2-thiazolyl)-5-bromo-2-furancarboxamide [no description available] | 2.15 | 1 | 0 | thiazoles | |
| 1-cyclohexyl-3-(3-ethylphenyl)urea [no description available] | 2.15 | 1 | 0 | ureas | |
| n-phenylpiracetam N-phenylpiracetam: structure given in first source | 2.15 | 1 | 0 | ||
| 2-[(1-methyl-5-tetrazolyl)thio]-N-(2-phenylphenyl)acetamide [no description available] | 2.15 | 1 | 0 | biphenyls | |
| N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-nitrobenzamide [no description available] | 2.15 | 1 | 0 | benzamides | |
| 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,6-dimethylphenyl)benzamide [no description available] | 2.15 | 1 | 0 | isoquinolines | |
| 5-(4-bromophenyl)-N-(2-methoxyphenyl)-2-furancarboxamide [no description available] | 2.15 | 1 | 0 | aromatic amide; furans | |
| 3-[[(3,5-dichloro-4-ethoxyphenyl)-oxomethyl]amino]benzoic acid [no description available] | 2.15 | 1 | 0 | benzamides | |
| 1,4-bis(thiophen-2-ylsulfonyl)piperazine [no description available] | 2.15 | 1 | 0 | N-sulfonylpiperazine; thiophenes | |
| 2-bromo-N-[3-(1-oxobutylamino)phenyl]benzamide [no description available] | 2.15 | 1 | 0 | benzamides | |
| 1-(2-fluorophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazine [no description available] | 2.15 | 1 | 0 | piperazines | |
| n-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide: inhibits the betaine-GABA transporter 1; structure in first source | 2.15 | 1 | 0 | ||
| 2-[[2-(5-methyl-2-thiophenyl)-2-oxoethyl]thio]-3-phenyl-4-quinazolinone [no description available] | 2.15 | 1 | 0 | quinazolines | |
| 1-(2,1,3-benzothiadiazol-5-yl)-3-[4-(4-morpholinyl)phenyl]urea [no description available] | 2.15 | 1 | 0 | morpholines | |
| ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-methylglycyl}piperazine-1-carboxylate : A sulfonamide in which the nitrogen carries methyl and 2-[4-(ethoxycarbonyl)piperazin-1-yl]-2-oxoethyl substituents and the sulfonyl a 4-chlorophenyl group. | 2.15 | 1 | 0 | carbamate ester; sulfonamide | |
| LSM-4563 [no description available] | 2.15 | 1 | 0 | aromatic ketone | |
| 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-phenylpiperazine [no description available] | 2.15 | 1 | 0 | piperazines | |
| N-[4-[(3,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide [no description available] | 2.15 | 1 | 0 | sulfonamide | |
| 4-chloro-3-(1-piperidinylsulfonyl)-N-(2-thiazolyl)benzamide [no description available] | 2.15 | 1 | 0 | sulfonamide | |
| 1-(2,5-dimethoxyphenyl)sulfonyl-4-(phenylmethyl)piperazine [no description available] | 2.15 | 1 | 0 | sulfonamide | |
| 2-(4-methoxyphenyl)-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]acetamide [no description available] | 2.15 | 1 | 0 | sulfonamide | |
| 4-[4-(benzenesulfonyl)-1-piperazinyl]-2-methylquinoline [no description available] | 2.15 | 1 | 0 | piperazines; pyridines | |
| 1-(6-methoxy-2,2,4-trimethyl-1-quinolinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone [no description available] | 2.15 | 1 | 0 | quinolines | |
| N2-phenyl-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1,3,5-triazine-2,4-diamine [no description available] | 2.15 | 1 | 0 | tetrazoles | |
| 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(4,5-diphenyl-2-oxazolyl)acetamide [no description available] | 2.15 | 1 | 0 | 1,3-oxazoles | |
| 2-(4-bromophenyl)-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone [no description available] | 2.15 | 1 | 0 | piperazines; pyridines | |
| 2-amino[1,3]thiazolo[4,5-d]pyrimidine-5,7-diol [no description available] | 2.15 | 1 | 0 | thiazolopyrimidine | |
| 3-[[(2-cyclohexyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]benzoic acid [no description available] | 2.15 | 1 | 0 | aromatic amide | |
| 3-[[[3-(1-azepanylsulfonyl)-4-chlorophenyl]-oxomethyl]amino]benzoic acid [no description available] | 2.15 | 1 | 0 | benzamides | |
| 2-(4-bromophenyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide [no description available] | 2.15 | 1 | 0 | acetamides | |
| 5-(1,3-benzodioxol-5-ylsulfamoyl)-2-methoxybenzoic acid [no description available] | 2.15 | 1 | 0 | methoxybenzoic acid | |
| N-cycloheptyl-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide [no description available] | 2.15 | 1 | 0 | sulfonamide | |
| 3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-4-isoxazolecarboxamide [no description available] | 2.15 | 1 | 0 | aromatic amide | |
| N-[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-2-furancarboxamide [no description available] | 2.15 | 1 | 0 | benzamides | |
| 3-methyl-1,5-dithiophen-2-ylpentane-1,5-dione [no description available] | 2.15 | 1 | 0 | aromatic ketone | |
| N-(2-methyl-1,3-benzothiazol-6-yl)-4-(4-morpholinylsulfonyl)benzamide [no description available] | 2.15 | 1 | 0 | sulfonamide | |
| 4-(dimethylsulfamoyl)-N-(4-thiophen-2-yl-2-thiazolyl)benzamide [no description available] | 2.15 | 1 | 0 | sulfonamide | |
| 3-chloro-N-[4-[(1-oxo-2-phenylethyl)amino]phenyl]benzamide [no description available] | 2.15 | 1 | 0 | benzamides | |
| N-(3,4-dimethoxyphenyl)-4-[(4-phenyl-1-piperazinyl)methyl]benzamide [no description available] | 2.15 | 1 | 0 | benzamides | |
| stk295900 [no description available] | 2.15 | 1 | 0 | ||
| 1-(3-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine [no description available] | 2.15 | 1 | 0 | piperazines | |
| 2-[4-[[4-(4-methoxyphenyl)-1-phthalazinyl]amino]phenyl]acetamide [no description available] | 2.15 | 1 | 0 | pyridazines; ring assembly | |
| 1-(2-fluorophenyl)-3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]urea [no description available] | 2.15 | 1 | 0 | ureas | |
| N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide [no description available] | 2.15 | 1 | 0 | methoxybenzenes | |
| N-(1,3-benzodioxol-5-yl)-4-methyl-1-phthalazinamine [no description available] | 2.15 | 1 | 0 | phthalazines | |
| SMER 28 SMER 28 : A member of the class of quinazolines that is quinazoline which is substituted by a prop-2-en-1-ylnitrilo group and a bromo group at positions 4 and 6, respectively. It is a modulator of mammalian autophagy. | 2.15 | 1 | 0 | organobromine compound; quinazolines; secondary amino compound | autophagy inducer |
| N-[4-(4-morpholinyl)phenyl]carbamic acid butyl ester [no description available] | 2.15 | 1 | 0 | morpholines | |
| 4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanone [no description available] | 2.15 | 1 | 0 | aromatic ether | |
| 4-(4-chlorophenoxy)-1-(1-piperidinyl)-1-butanone [no description available] | 2.15 | 1 | 0 | N-acylpiperidine | |
| N-(3-phenylpropyl)methanesulfonamide [no description available] | 2.15 | 1 | 0 | benzenes | |
| 4-acetamido-N-(2-methoxyethyl)benzamide [no description available] | 2.15 | 1 | 0 | amidobenzoic acid | |
| 2-methyl-N-(2,3,4,5,6-pentafluorophenyl)-3-furancarboxamide [no description available] | 2.15 | 1 | 0 | aromatic amide; furans | |
| 3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone [no description available] | 2.15 | 1 | 0 | quinolines | |
| 5-bromo-N-(2-phenylphenyl)-2-furancarboxamide [no description available] | 2.15 | 1 | 0 | aromatic amide; furans | |
| 2-[2-(4-chlorophenoxy)ethylthio]pyrimidine [no description available] | 2.15 | 1 | 0 | aromatic ether | |
| 3-(3-bromoanilino)-1-(5-methyl-2-furanyl)-1-propanone [no description available] | 2.15 | 1 | 0 | aralkylamine | |
| 4-[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester [no description available] | 2.15 | 1 | 0 | piperazinecarboxylic acid | |
| 2-[2-[[3-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]phenyl]benzoic acid [no description available] | 2.15 | 1 | 0 | benzamides | |
| 1-[2-(2-chlorophenoxy)ethoxy]-2-methoxy-4-methylbenzene [no description available] | 2.15 | 1 | 0 | methoxybenzenes | |
| N-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]cyclopropanecarboxamide [no description available] | 2.15 | 1 | 0 | sulfonamide | |
| 4-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]morpholine [no description available] | 2.15 | 1 | 0 | aromatic ether | |
| N-[2-(2-phenylphenoxy)ethyl]-2-furancarboxamide [no description available] | 2.15 | 1 | 0 | biphenyls | |
| 5,6,7,8-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)-4h-1-benzopyran-4-one 5,6,7,8-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)-4H-1-benzopyran-4-one: structure in first source | 2.15 | 1 | 0 | ||
| 2-[bis(5-methyl-2-furanyl)methyl]-6-nitrophenol [no description available] | 2.15 | 1 | 0 | nitrophenol | |
| 2-(4-nitrophenyl)-N-(2-oxolanylmethyl)-4-quinazolinamine [no description available] | 2.15 | 1 | 0 | quinazolines | |
| 2-(4-hydroxy-1,3-thiazol-2-yl)-1-phenylethan-1-one [no description available] | 2.15 | 1 | 0 | aromatic ketone | |
| Methyl(2-furoylamino)acetic acid [no description available] | 2.15 | 1 | 0 | N-acyl-amino acid | |
| 5-nitro-8-(1-pyrrolidinyl)quinoline [no description available] | 2.15 | 1 | 0 | nitro compound; quinolines | |
| 2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-phenylacetamide [no description available] | 2.15 | 1 | 0 | amino acid amide | |
| 2-[(4-methylphenyl)sulfonylamino]pentanoic acid [no description available] | 2.15 | 1 | 0 | sulfonamide | |
| 4,6-dimorpholino-n-(4-nitrophenyl)-1,3,5-triazin-2-amine 4,6-dimorpholino-N-(4-nitrophenyl)-1,3,5-triazin-2-amine: an mTOR activator; structure in first source | 2.15 | 1 | 0 | ||
| 1-[(3-chlorophenyl)methyl]-N,N-diethyl-3-piperidinecarboxamide [no description available] | 2.15 | 1 | 0 | piperidines | |
| 1-(2,6-dimethyl-1-piperidinyl)-2-phenylethanone [no description available] | 2.15 | 1 | 0 | acetamides | |
| 2-amino-7-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile [no description available] | 2.15 | 1 | 0 | methoxybenzenes | |
| 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-phenylpyrrolidine-2,5-dione [no description available] | 2.15 | 1 | 0 | pyrrolidines | |
| 1-(4-bromophenyl)-3-(diethylamino)pyrrolidine-2,5-dione [no description available] | 2.15 | 1 | 0 | pyrrolidines | |
| 4-(5,6-diphenyl-1,2,4-triazin-3-yl)morpholine [no description available] | 2.15 | 1 | 0 | dialkylarylamine; tertiary amino compound | |
| (3,5-Dimethyl-1-adamantyl)amine nitrate [no description available] | 2.15 | 1 | 0 | nitrates | |
| 1-(4-tert-butylphenoxy)-3-(1H-1,2,4-triazol-5-ylthio)-2-propanol [no description available] | 2.15 | 1 | 0 | alkylbenzene | |
| N-[2-(1-methyl-2-pyrrolidinyl)ethyl]-2-adamantanamine [no description available] | 2.15 | 1 | 0 | N-alkylpyrrolidine | |
| 4-phenyl-N-(pyridin-4-ylmethyl)-2-butanamine [no description available] | 2.15 | 1 | 0 | aralkylamine | |
| N-(5-nitro-2-pyridinyl)cyclopropanecarboxamide [no description available] | 2.15 | 1 | 0 | aromatic amide | |
| 3-[(4-bromophenyl)methyl]-4-(4-methoxyanilino)-4-oxobutanoic acid [no description available] | 2.15 | 1 | 0 | anilide | |
| 3-ethyl-N-(2H-tetrazol-5-yl)-1-adamantanecarboxamide [no description available] | 2.15 | 1 | 0 | aromatic amide | |
| N-(4-propan-2-ylphenyl)-3-bicyclo[2.2.1]heptanecarboxamide [no description available] | 2.15 | 1 | 0 | monoterpenoid | |
| 4-chloro-N-[2-(4-nitroanilino)ethyl]benzamide [no description available] | 2.15 | 1 | 0 | carbonyl compound; organohalogen compound | |
| 2-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-1-cyclohexanecarboxylic acid [no description available] | 2.15 | 1 | 0 | benzodioxine | |
| 2,4-dichloro-6-[1-(4-morpholinyl)-3-phenylprop-2-ynyl]phenol [no description available] | 2.15 | 1 | 0 | aromatic compound | |
| 2-[[1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]amino]acetonitrile [no description available] | 2.15 | 1 | 0 | pyrrolidines | |
| 1-ethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-2-propanol [no description available] | 2.15 | 1 | 0 | methoxybenzenes | |
| 6-amino-4-(3-chlorophenyl)-3-methyl-1-(phenylmethyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile [no description available] | 2.15 | 1 | 0 | organochlorine compound; pyranopyrazole | |
| 1-(2-chlorophenoxy)-3-(2-methyl-1-benzimidazolyl)-2-propanol [no description available] | 2.15 | 1 | 0 | benzimidazoles | |
| N-[2-furanyl-(8-hydroxy-7-quinolinyl)methyl]-2-methylpropanamide [no description available] | 2.15 | 1 | 0 | hydroxyquinoline | |
| N-(2-hydroxy-5-methylphenyl)-2-furancarboxamide [no description available] | 2.15 | 1 | 0 | aromatic amide; furans | |
| 4-amino-7,8,9,10-tetrahydro-6H-pyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile [no description available] | 2.15 | 1 | 0 | organic heterobicyclic compound; organonitrogen heterocyclic compound | |
| 1-(3,5-dimethylphenyl)-3-(1H-1,2,4-triazol-5-ylthio)pyrrolidine-2,5-dione [no description available] | 2.15 | 1 | 0 | pyrrolidines | |
| 6-[(3,4-difluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid [no description available] | 2.15 | 1 | 0 | anilide | |
| 4-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-4-oxobutanoic acid [no description available] | 2.15 | 1 | 0 | organosulfur heterocyclic compound | |
| [3-methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-thiophen-2-ylmethanone [no description available] | 2.15 | 1 | 0 | aromatic amide; thiophenes | |
| [4-(2-methoxyphenyl)-1-piperazinyl]-[4-[(phenylthio)methyl]phenyl]methanone [no description available] | 2.15 | 1 | 0 | piperazines | |
| N-(3,3,5-trimethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide [no description available] | 2.15 | 1 | 0 | aromatic amide; heteroarene | |
| 4-[2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]phenyl]morpholine [no description available] | 2.15 | 1 | 0 | piperazines | |
| 5-(4-ethylsulfonyl-1-piperazinyl)-2-nitro-N-(3-pyridinylmethyl)aniline [no description available] | 2.15 | 1 | 0 | piperazines | |
| 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-[2-(4-morpholinyl)ethyl]acetamide [no description available] | 2.15 | 1 | 0 | benzothiazoles | |
| N-ethyl-N-[2-[(5-nitro-8-quinolinyl)amino]ethyl]benzenesulfonamide [no description available] | 2.15 | 1 | 0 | nitro compound; quinolines | |
| 1-(4-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3-pyrrolidinecarboxamide [no description available] | 2.15 | 1 | 0 | pyrrolidines | |
| 3,4,5-trimethoxy-N-[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]benzamide [no description available] | 2.15 | 1 | 0 | benzamides | |
| 3-(n,n-dimethylsulfonamido)-4-methyl-nitrobenzene BRL-50481 : A C-nitro compound that is benzene substituted by N,N-dimethylaminosulfonyl, methyl and nitro groups at positions 1, 2 and 5, respectively. It is a phosphodiesterase inhibitor selective for the PDE7 subtype (Ki = 180 nM). | 2.15 | 1 | 0 | C-nitro compound; sulfonamide; toluenes | bone density conservation agent; EC 3.1.4.53 (3',5'-cyclic-AMP phosphodiesterase) inhibitor; geroprotector |
| 6,3',4'-Trimethoxyflavanone [no description available] | 2.15 | 1 | 0 | ether; flavonoids | |
| 1-[4-(3-ethoxyphenoxy)butyl]imidazole [no description available] | 2.15 | 1 | 0 | aromatic ether | |
| 5-[[(1-cyclohexyl-5-tetrazolyl)thio]methyl]-3-phenyl-1,2,4-oxadiazole [no description available] | 2.15 | 1 | 0 | oxadiazole; ring assembly | |
| 2-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione [no description available] | 2.15 | 1 | 0 | phthalimides | |
| [4-(benzenesulfonyl)-1-piperazinyl]-(1-piperidinyl)methanone [no description available] | 2.15 | 1 | 0 | sulfonamide | |
| 3-(2,5-dioxo-1-pyrrolidinyl)-N-(2-methyl-1,3-dioxo-5-isoindolyl)benzamide [no description available] | 2.15 | 1 | 0 | amidobenzoic acid | |
| 6-[[[5-(ethylthio)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid [no description available] | 2.15 | 1 | 0 | aromatic amide | |
| 2,5-dimethoxy-n-(quinolin-3-yl)benzenesulfonamide 2,5-dimethoxy-N-(quinolin-3-yl)benzenesulfonamide: a tissue-nonspecific alkaline phosphatase inhibitor; structure in first source | 2.15 | 1 | 0 | quinolines | |
| LSM-25805 [no description available] | 2.15 | 1 | 0 | isoindoles | |
| 4-ethoxy-N-(3-quinolinyl)benzenesulfonamide [no description available] | 2.15 | 1 | 0 | quinolines | |
| 3-chloro-N-[3-(1-imidazolyl)propyl]-6-nitro-1-benzothiophene-2-carboxamide [no description available] | 2.15 | 1 | 0 | 1-benzothiophenes | |
| nsc 727447 NSC 727447: structure in first source | 2.15 | 1 | 0 | ||
| 2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide [no description available] | 2.15 | 1 | 0 | acetamides | |
| 2-(4-chlorophenoxy)-N-(5-nitro-2-thiazolyl)acetamide [no description available] | 2.15 | 1 | 0 | C-nitro compound; thiazoles | |
| 7-(2-methoxyphenyl)-5-phenyl-1,7-dihydrotetrazolo[1,5-a]pyrimidine [no description available] | 2.15 | 1 | 0 | methoxybenzenes | |
| N-[3-[2,5-dioxo-3-(phenylmethyl)-1-pyrrolidinyl]phenyl]acetamide [no description available] | 2.15 | 1 | 0 | pyrrolidines | |
| 3,4-dimethoxy-N-[3-(methylthio)phenyl]benzenesulfonamide [no description available] | 2.15 | 1 | 0 | sulfonamide | |
| 3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide [no description available] | 2.15 | 1 | 0 | C-nitro compound | |
| 2-[(4-chlorophenyl)methylthio]-N-(2-hydroxy-5-nitrophenyl)acetamide [no description available] | 2.15 | 1 | 0 | nitrophenol | |
| 2-(4-ethoxyphenyl)-N-[3-(1-imidazolyl)propyl]-4-quinolinecarboxamide [no description available] | 2.15 | 1 | 0 | quinolines | |
| N-(4-bromophenyl)-5-methyl-4-nitro-1H-pyrazol-3-amine [no description available] | 2.15 | 1 | 0 | C-nitro compound | |
| 3,3-bis(4-hydroxyphenyl)-7-methyl-1,3-dihydro-2h-indol-2-one 3,3-bis(4-hydroxyphenyl)-7-methyl-1,3-dihydro-2H-indol-2-one: an estrogen receptor alpha inhibitor | 2.15 | 1 | 0 | ||
| N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide [no description available] | 2.15 | 1 | 0 | aromatic amide | |
| N,N,4-trimethyl-2-[[(5-methyl-2-furanyl)-oxomethyl]amino]-5-thiazolecarboxamide [no description available] | 2.15 | 1 | 0 | aromatic amide; thiazoles | |
| ex 527 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide: structure in first source. 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide : A member of the class of carbazoles that is 2,3,4,9-tetrahydro-1H-carbazole which is substituted at position 1 by an aminocarbohyl group and at position 6 by a chlorine. | 2.15 | 1 | 0 | carbazoles; monocarboxylic acid amide; organochlorine compound | |
| dinoprostone prostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins. | 2.13 | 1 | 0 | prostaglandins E | human metabolite; mouse metabolite; oxytocic |
| linoleic acid Linoleic Acid: A doubly unsaturated fatty acid, occurring widely in plant glycosides. It is an essential fatty acid in mammalian nutrition and is used in the biosynthesis of prostaglandins and cell membranes. (From Stedman, 26th ed). linoleic acid : An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry. | 2 | 1 | 0 | octadecadienoic acid; omega-6 fatty acid | algal metabolite; Daphnia galeata metabolite; plant metabolite |
| harmine Harmine: Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920's.. harmine : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7. | 2.94 | 4 | 0 | harmala alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite |
| harman harman: a beta-carboline; RN given refers to parent cpd; structure. harman : An indole alkaloid fundamental parent with a structure of 9H-beta-carboline carrying a methyl substituent at C-1. It has been isolated from the bark of Sickingia rubra, Symplocus racemosa, Passiflora incarnata, Peganum harmala, Banisteriopsis caapi and Tribulus terrestris, as well as from tobacco smoke. It is a specific, reversible inhibitor of monoamine oxidase A. | 2.95 | 4 | 0 | harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid | anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite |
| 3-[3-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]propyl]-1H-benzimidazol-2-one [no description available] | 2.15 | 1 | 0 | indoles | |
| dehydrocrenatidine dehydrocrenatidine: a janus kinase inhibitor; structure in first source | 2.11 | 1 | 0 | ||
| nigakinone nigakinone: an NSAID that may be useful in treating ulcerative colitis; structure in first source | 2.11 | 1 | 0 | beta-carbolines | |
| 1-Ethyl-9H-pyrido[3,4-b]indole [no description available] | 2.11 | 1 | 0 | harmala alkaloid | |
| 4-methyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one [no description available] | 2.15 | 1 | 0 | phenylpyridine | |
| 3-methylharman [no description available] | 2.15 | 1 | 0 | ||
| beta-carboline-1-propionic acid [no description available] | 2.11 | 1 | 0 | harmala alkaloid | |
| 1-methyl-beta-carboline-3-carboxylic acid 1-methyl-beta-carboline-3-carboxylic acid: metabolite from cows fed with corn silage; structure in first source | 2.79 | 3 | 0 | ||
| cysteine Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3. | 3.82 | 2 | 1 | cysteinium | fundamental metabolite |
| 2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid 2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid: chromogen in glucose oxidase-peroxidase method for determining serum glucose; used in free radical scavenging assays; structure in first source | 2.11 | 1 | 0 | ||
| phenylalanylproline Phe-Pro : A dipeptide formed from L-phenylalanine and L-proline residues. | 2.11 | 1 | 0 | dipeptide | metabolite |
| prolylisoleucine prolylisoleucine: RN refers to (L)-isomer. Pro-Ile : A dipeptide formed from L-proline and L-isoleucine residues. | 2.11 | 1 | 0 | dipeptide | metabolite |
| mocetinostat mocetinostat: undergoing phase II clinical trials for treatment of cancer. mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11). | 2.1 | 1 | 0 | aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline | antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent |
| 9-methoxycanthin-6-one 9-methoxycanthin-6-one: from roots of Eurycoma longifolia (Simaroubaceae). 9-methoxycanthin-6-one : An indole alkaloid that is the 9-methoxy derivative of canthin-6-one. Isolated from Eurycoma longifolia and Simaba multiflora, it exhibits cytotoxic activity towards human cancer cell lines. | 2.11 | 1 | 0 | aromatic ether; indole alkaloid; organic heterotetracyclic compound | antineoplastic agent; antiplasmodial drug; metabolite |
| ribose ribopyranose : The pyranose form of ribose. | 1.99 | 1 | 0 | D-ribose; ribopyranose | |
| gastrins Gastrins: A family of gastrointestinal peptide hormones that excite the secretion of GASTRIC JUICE. They may also occur in the central nervous system where they are presumed to be neurotransmitters. | 3.53 | 1 | 1 | ||
| gastrin 17 gastrin-17 : One of the primary forms of gastrin that is a 17-membered peptide consisting of Glp, Gly, Pro, Trp, Leu, Glu, Glu, Glu, Glu, Glu, Ala, Tyr, Gly, Trp, Met, Asp and Phe-NH2 residues joined in sequence. | 3.53 | 1 | 1 | gastrin | antineoplastic agent |
| sodium nitrite Sodium Nitrite: Nitrous acid sodium salt. Used in many industrial processes, in meat curing, coloring, and preserving, and as a reagent in ANALYTICAL CHEMISTRY TECHNIQUES. It is used therapeutically as an antidote in cyanide poisoning. The compound is toxic and mutagenic and will react in vivo with secondary or tertiary amines thereby producing highly carcinogenic nitrosamines.. sodium nitrite : An inorganic sodium salt having nitrite as the counterion. Used as a food preservative and antidote to cyanide poisoning. | 2.38 | 2 | 0 | inorganic sodium salt; nitrite salt | antidote to cyanide poisoning; antihypertensive agent; antimicrobial food preservative; food antioxidant; poison |
| heme Heme: The color-furnishing portion of hemoglobin. It is found free in tissues and as the prosthetic group in many hemeproteins.. ferroheme : Any iron(II)--porphyrin coordination complex.. ferroheme b : Heme b in which the iron has oxidation state +2.. heme : A heme is any tetrapyrrolic chelate of iron. | 2.1 | 1 | 0 | ||
| ascorbic acid Ascorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.. L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.. L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.. vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms. | 2.43 | 2 | 0 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
| rk 682 [no description available] | 2.11 | 1 | 0 | ||
| sildenafil sildenafil : A pyrazolo[4,3-d]pyrimidin-7-one having a methyl substituent at the 1-position, a propyl substituent at the 3-position and a 2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl group at the 5-position. | 2.15 | 1 | 0 | piperazines; pyrazolopyrimidine; sulfonamide | EC 3.1.4.35 (3',5'-cyclic-GMP phosphodiesterase) inhibitor; vasodilator agent |
| 2-methyl-4(3h)-quinazolinone 2-methyl-4(3H)-quinazolinone: from Bacillus cereus; structure given in first source | 2.15 | 1 | 0 | ||
| n(4)-desoxychlordiazepoxide N(4)-desoxychlordiazepoxide: not phototoxic; structure given in first source | 2.15 | 1 | 0 | ||
| allopurinol Allopurinol: A XANTHINE OXIDASE inhibitor that decreases URIC ACID production. It also acts as an antimetabolite on some simpler organisms.. allopurinol : A bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring. | 2.07 | 1 | 0 | nucleobase analogue; organic heterobicyclic compound | antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger |
| 2-amino-3-hydroxyphenazine 2-amino-3-hydroxyphenazine: structure given in first source | 2.15 | 1 | 0 | ||
| 2-styrylquinazolin-4(3h)-one 2-styrylquinazolin-4(3H)-one: structure given in first source | 2.15 | 1 | 0 | ||
| 2-amino-5-iodo-6-phenyl-4-pyrimidinone [no description available] | 2.15 | 1 | 0 | ||
| quininib quininib: has antiangiogenic activity; structure in first source. quininib : A styrylquinoline that is trans-2-styrylquinoline in which the the phenyl group has been substituted at position 2 by a hydroxy group. It is an anti-angiogenic compound that exerts a dose-dependent antagonism of the cysteinyl leukotriene pathway, preferentially antagonising cysteinyl leukotriene receptor 1. The major species at pH 7.3 | 2.15 | 1 | 0 | phenols; styrylquinoline | angiogenesis inhibitor |
| bropirimine [no description available] | 2.15 | 1 | 0 | pyrimidines | |
| 2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-1H-quinazolin-4-one [no description available] | 2.15 | 1 | 0 | quinazolines | |
| 2-[(6-ethyl-4-methyl-2-quinazolinyl)amino]-6-(methoxymethyl)-1H-pyrimidin-4-one [no description available] | 2.15 | 1 | 0 | quinazolines |
| Condition | Indicated | Relationship Strength | Studies | Trials |
|---|---|---|---|---|
| Plasmodium falciparum Malaria [description not available] | 0 | 2.1 | 1 | 0 |
| Malaria, Falciparum Malaria caused by PLASMODIUM FALCIPARUM. This is the severest form of malaria and is associated with the highest levels of parasites in the blood. This disease is characterized by irregularly recurring febrile paroxysms that in extreme cases occur with acute cerebral, renal, or gastrointestinal manifestations. | 0 | 2.1 | 1 | 0 |
| Anemia, Fanconi [description not available] | 0 | 2.13 | 1 | 0 |
| Fanconi Anemia Congenital disorder affecting all bone marrow elements, resulting in ANEMIA; LEUKOPENIA; and THROMBOPENIA, and associated with cardiac, renal, and limb malformations as well as dermal pigmentary changes. Spontaneous CHROMOSOME BREAKAGE is a feature of this disease along with predisposition to LEUKEMIA. There are at least 7 complementation groups in Fanconi anemia: FANCA, FANCB, FANCC, FANCD1, FANCD2, FANCE, FANCF, FANCG, and FANCL. (from Online Mendelian Inheritance in Man, http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=227650, August 20, 2004) | 0 | 2.13 | 1 | 0 |
| Congenital Zika Syndrome [description not available] | 0 | 2.25 | 1 | 0 |
| Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases. | 0 | 2.25 | 1 | 0 |
| Zika Virus Infection A viral disease transmitted by the bite of AEDES mosquitoes infected with ZIKA VIRUS. Its mild DENGUE-like symptoms include fever, rash, headaches and ARTHRALGIA. The viral infection during pregnancy, in rare cases, is associated with congenital brain and ocular abnormalities, called Congenital Zika Syndrome, including MICROCEPHALY and may also lead to GUILLAIN-BARRE SYNDROME. | 0 | 2.25 | 1 | 0 |
| Blood Clot [description not available] | 0 | 2.21 | 1 | 0 |
| Thrombosis Formation and development of a thrombus or blood clot in the blood vessel. | 0 | 2.21 | 1 | 0 |
| Innate Inflammatory Response [description not available] | 0 | 2.13 | 1 | 0 |
| Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function. | 0 | 2.13 | 1 | 0 |
| Carcinogenesis The origin, production or development of cancer through genotypic and phenotypic changes which upset the normal balance between cell proliferation and cell death. Carcinogenesis generally requires a constellation of steps, which may occur quickly or over a period of many years. | 0 | 3.53 | 1 | 1 |
| Cancer of Stomach [description not available] | 0 | 3.53 | 1 | 1 |
| Gastritis, Atrophic GASTRITIS with atrophy of the GASTRIC MUCOSA, the GASTRIC PARIETAL CELLS, and the mucosal glands leading to ACHLORHYDRIA. Atrophic gastritis usually progresses from chronic gastritis. | 0 | 3.53 | 1 | 1 |
| Stomach Neoplasms Tumors or cancer of the STOMACH. | 0 | 3.53 | 1 | 1 |
| Eosinophilia-Myalgia Syndrome A complex systemic syndrome with inflammatory and autoimmune components that affect the skin, fascia, muscle, nerve, blood vessels, lung, and heart. Diagnostic features generally include EOSINOPHILIA, myalgia severe enough to limit usual activities of daily living, and the absence of coexisting infectious, autoimmune or other conditions that may induce eosinophilia. Biopsy of affected tissue reveals a microangiopathy associated with diffuse inflammation involving connective tissue. (From Spitzer et al., J Rheumatol Suppl 1996 Oct;46:73-9; Blackburn WD, Semin Arthritis Rheum 1997 Jun;26(6):788-93) | 0 | 3.23 | 6 | 0 |
| Pregnancy The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH. | 0 | 1.98 | 1 | 0 |
| Cataract, Membranous [description not available] | 0 | 2.39 | 2 | 0 |
| Aging The gradual irreversible changes in structure and function of an organism that occur as a result of the passage of time. | 0 | 1.99 | 1 | 0 |
| Cataract Partial or complete opacity on or in the lens or capsule of one or both eyes, impairing vision or causing blindness. The many kinds of cataract are classified by their morphology (size, shape, location) or etiology (cause and time of occurrence). (Dorland, 27th ed) | 0 | 2.39 | 2 | 0 |
| Diseases, Occupational [description not available] | 0 | 1.99 | 1 | 0 |
| Anasarca [description not available] | 0 | 1.97 | 1 | 0 |
| Eosinophilia, Tropical [description not available] | 0 | 2.67 | 3 | 0 |
| Muscle Disorders [description not available] | 0 | 1.97 | 1 | 0 |
| Symptom Cluster [description not available] | 0 | 2.67 | 3 | 0 |
| Edema Abnormal fluid accumulation in TISSUES or body cavities. Most cases of edema are present under the SKIN in SUBCUTANEOUS TISSUE. | 0 | 1.97 | 1 | 0 |
| Eosinophilia Abnormal increase of EOSINOPHILS in the blood, tissues or organs. | 0 | 2.67 | 3 | 0 |
| Muscular Diseases Acquired, familial, and congenital disorders of SKELETAL MUSCLE and SMOOTH MUSCLE. | 0 | 1.97 | 1 | 0 |
| Syndrome A characteristic symptom complex. | 0 | 2.67 | 3 | 0 |
| Ache [description not available] | 0 | 2.38 | 2 | 0 |
| Pain An unpleasant sensation induced by noxious stimuli which are detected by NERVE ENDINGS of NOCICEPTIVE NEURONS. | 0 | 2.38 | 2 | 0 |
| Abnormalities, Autosome [description not available] | 0 | 1.97 | 1 | 0 |
| Alcohol Drinking Behaviors associated with the ingesting of ALCOHOLIC BEVERAGES, including social drinking. | 0 | 1.97 | 1 | 0 |