Exact Mass: 291.0469978

D006133 - Growth Substances > D010937 - Plant Growth Regulators D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 3097

2,7-Anhydro-alpha-N-acetylneuraminic acid

(1R,2R,3S,5R)-2-acetamido-7-(1,2-dihydroxyethyl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid

2-Deoxy-2,3-dehydro-N-acetylneuraminic acid

3-acetamido-4-hydroxy-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid

D004791 - Enzyme Inhibitors

Brimonidine

5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine

C11H10BrN5 (291.011952)

Brimonidine is only found in individuals that have used or taken this drug. It is a drug used to treat glaucoma. It acts via decreasing aqueous humor synthesis. [Wikipedia]Brimonidine is an alpha adrenergic receptor agonist (primarily alpha-2). It has a peak ocular hypotensive effect occurring at two hours post-dosing. Fluorophotometric studies in animals and humans suggest that Brimonidine has a dual mechanism of action by reducing aqueous humor production and increasing uveoscleral outflow. S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EA - Sympathomimetics in glaucoma therapy S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics > S01GA - Sympathomimetics used as decongestants C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D - Dermatologicals Brimonidine (UK 14304) is a full α2-adrenergic receptor (α2-AR) agonist.

Sarmentosin epoxide

C12H13N5O2S (291.07899180000004)

Lycoricidine

C14H13NO6 (291.0742838)

prontosil

p-[(2,4-diaminophenyl)azo]benzenesulphonamide

A diphenyldiazene compound having two amino substituents at the 2- and 4-positions and an aminosulphonyl substituent at the 4-position. It was the first antibacterial drug, (introduced 1935) and the first of the sulfonamide antibiotics. C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent

Crufomate

C12H19ClNO3P (291.0791024)

C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent CONFIDENCE standard compound; INTERNAL_ID 237; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9553; ORIGINAL_PRECURSOR_SCAN_NO 9552 CONFIDENCE standard compound; INTERNAL_ID 237; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9578; ORIGINAL_PRECURSOR_SCAN_NO 9577 CONFIDENCE standard compound; INTERNAL_ID 237; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9598; ORIGINAL_PRECURSOR_SCAN_NO 9597 CONFIDENCE standard compound; INTERNAL_ID 237; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9618; ORIGINAL_PRECURSOR_SCAN_NO 9616 CONFIDENCE standard compound; INTERNAL_ID 237; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9590; ORIGINAL_PRECURSOR_SCAN_NO 9588 CONFIDENCE standard compound; INTERNAL_ID 237; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9626; ORIGINAL_PRECURSOR_SCAN_NO 9624

(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-carbonitrile

COVID info from DrugBank, PDB, Protein Data Bank, clinicaltrial, clinicaltrials, clinical trial, clinical trials D000890 - Anti-Infective Agents > D000998 - Antiviral Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

1-(6-Oxo-6H-dibenzo[b,d]pyran-3-yl)-1H-pyrrole-2,5-dione

norsertraline

Cis-(+/-)-4-(3,4-Dichlorophenyl)-1,2,3,4-Tetrahydro-1-Naphthalenamine

norsertraline is a metabolite of sertraline. Sertraline hydrochloride (trademark names Zoloft and Lustral) is an antidepressant of the selective serotonin reuptake inhibitor (SSRI) class. It was introduced to the market by Pfizer in 1991. Sertraline is primarily used to treat major depression in adult outpatients as well as obsessive–compulsive, panic, and social anxiety disorders in both adults and children. In 2007, it was the most prescribed antidepressant on the U.S. retail market, with 29,652,000 prescriptions. (Wikipedia) CONFIDENCE standard compound; EAWAG_UCHEM_ID 3623

Avenalumin III

2-[(1Z,3E)-4-(4-hydroxyphenyl)buta-1,3-dien-1-yl]-4H-3,1-benzoxazin-4-one

Phytoalexin isolated from oat (Avena sativa) infected with rust fungus (Puccinia coronata). Avenalumin III is found in oat and cereals and cereal products. Avenalumin III is found in cereals and cereal products. Phytoalexin isolated from oat (Avena sativa) infected with rust fungus (Puccinia coronata).

Hawkinsin

2-Amino-3-{[2-(carboxymethyl)-2,5-dihydroxycyclohex-3-en-1-yl]sulphanyl}propanoic acid

Hawkinsin is a sulfur amino acid identified as (2-L-cystein-S-yl-1,4-dihydroxycyclohex-5-en-1-yl)acetic acid. It is a reactive byproduct of abnormal tyrosine metabolism. Normally, the breakdown of the amino acid tyrosine involves the conversion of 4-hydroxyphenylpyruvate to homogentisate by 4-hydroxyphenylpyruvate dioxygenase. Complete deficiency of this enzyme leads to an inborn error of metabolism called tyrosinemia III. In rare cases, however, the enzyme is still able to produce the reactive intermediate 1,2-epoxyphenyl acetic acid but is unable to convert this intermediate to homogentisate (PMID: 11073718). The intermediate then spontaneously reacts with glutathione to form hawkinsin. Chronically high levels of hawkinsin are associated with hawkinsinuria (characterized by the inability to break down the amino acid tyrosine). Patients with hawkinsinuria excrete hawkinsin in their urine throughout their life. The features of this condition usually appear around the time infants are weaned off breast milk and begin to use formula. The signs and symptoms may include the following: failure to gain weight and grow at the expected rate (failure to thrive), abnormally high acid levels in the blood (acidosis), and fine or sparse hair. Hawkinsin is an acidogen and a metabotoxin. An acidogen is an acidic compound that induces acidosis, which has multiple adverse effects on many organ systems. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Hawkinsin is an organic acid. Abnormally high levels of organic acids in the blood (organic acidemia), urine (organic aciduria), the brain, and other tissues lead to general metabolic acidosis. Acidosis typically occurs when arterial pH falls below 7.35. In infants with acidosis, the initial symptoms include poor feeding, vomiting, loss of appetite, weak muscle tone (hypotonia), and lack of energy (lethargy). These can progress to heart, liver, and kidney abnormalities, seizures, coma, and possibly death. These are also the characteristic symptoms of untreated hawkinsinuria. Many affected children with organic acidemias experience intellectual disability or delayed development. In adults, acidosis or acidemia is characterized by headaches, confusion, feeling tired, tremors, sleepiness, and seizures. Hawkinsin is a sulfur amino acid identified as (2-l-cystein-S-yl, 4-dihydroxycyclohex-5-en-1-yl)acetic acid. Patients with hawkinsinuria excrete this metabolite in their urine throughout their life, although symptoms of metabolic acidosis and tyrosinemia improve in the first year of life. Alterations in the structure and activity of 4-hydroxyphenylpyruvic acid dioxygenase are causally related to two different metabolic disorders, tyrosinemia type III and hawkinsinuria. (PMID 11073718) [HMDB]

Orciprenaline-3-O-sulfate

(3-hydroxy-5-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}phenyl)oxidanesulfonic acid

Orciprenaline-3-O-sulfate is a metabolite of orciprenaline. Orciprenaline is a bronchodilator used in the treatment of asthma. Orciprenaline is a moderately selective beta2-adrenergic receptor agonist that stimulates receptors of the smooth muscle in the lungs, uterus, and vasculature supplying skeletal muscle, with minimal or no effect on alpha-adrenergic receptors. (Wikipedia)

Acetamide, N-[4-[(2-pyridinylamino)sulfonyl]phenyl]-

N-{4-[(pyridin-2-yl)sulphamoyl]phenyl}ethanimidic acid

D000890 - Anti-Infective Agents > D013424 - Sulfanilamides

1,N6-Ethenoadenosine

2-(hydroxymethyl)-5-{3H-imidazo[2,1-f]purin-3-yl}oxolane-3,4-diol

2',3'-Dideoxycytidine-5'-monophosphate

{[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid

2-Deoxy-2,3-dehydro-n-acetyl-neuraminic acid

4-Hydroxy-3-[(1-hydroxyethylidene)amino]-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylate

Carprazidil

Carbamic acid, (5-(3,6-dihydro-1(2H)-pyridinyl)-3,3a-dihydro-2-oxo-2H-(1,2,4)oxadiazolo(2,3-a)pyrimidin-7-yl)-, methyl ester

Cloranolol

1-(2,5-Dichlorophenoxy)-3-tertiary-butylamino-2-propanol

C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents

Ethenoadenosine

1-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene-4,5-diol

Lobenzarit

2-[(2-carboxyphenyl)amino]-4-chlorobenzoic acid

Benzo(1,2-b:4,3-b')dipyrrole-2-carboxylic acid, 3,6,7,8-tetrahydro-6-(aminocarbonyl)-5-hydroxy-4-methoxy-

Benzo(1,2-b:4,3-b)dipyrrole-2-carboxylic acid, 3,6,7,8-tetrahydro-6-(aminocarbonyl)-5-hydroxy-4-methoxy-

C12H13N5O2S (291.07899180000004)

Prontosil

4-[2-(2,4-Diaminophenyl)diazen-1-yl]benzene-1-sulphonamide

N-[2,6-Dichloro-4-(2-chloroethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine

C11H12Cl3N3 (291.0096762)

Thiamethoxam

3-((2-Chloro-5-thiazolyl)methyl)tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine

C8H10ClN5O3S (291.0192860000001)

zomepirac

5-(4-Chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate dihydrate

C10H14NO5PS (291.03302840000003)

M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents

parathion

D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 3115 D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals

Bianfugecine

5,9-Dimethoxy-7H-dibenzo(de,h)quinoline-7-one

Pareitropone

Ethyl 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazole-4-carboxylate

zomepirac

CHEMBL370526

ZINC92877

C13H14ClN5O (291.0886824)

CHEMBL296602

N-Fructosyl pyroglutamate

Annotation level-3

5-Cytidine monophosphate

C10H13NO3S3 (291.00575480000003)

Varacin C

(+)-toluene-4-sulfonic acid-(1-methyl-2-[2]pyridyl-ethyl ester)|(+)-Toluol-4-sulfonsaeure-(1-methyl-2-[2]pyridyl-aethylester)|(-)-toluene-4-sulfonic acid-(1-methyl-2-[2]pyridyl-ethyl ester)|(-)-Toluol-4-sulfonsaeure-(1-methyl-2-[2]pyridyl-aethylester)

(+)-toluene-4-sulfonic acid-(1-methyl-2-[2]pyridyl-ethyl ester)|(+)-Toluol-4-sulfonsaeure-(1-methyl-2-[2]pyridyl-aethylester)|(-)-toluene-4-sulfonic acid-(1-methyl-2-[2]pyridyl-ethyl ester)|(-)-Toluol-4-sulfonsaeure-(1-methyl-2-[2]pyridyl-aethylester)

4-amino-5-cyano-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine|4-amino-7(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile|4-amino-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile|7-Cyano-7-deazaadenosine|NSC-63701|toyocamycin|Vengicide|[(15)N]5-toyocamycin|[2-(13)C]-toyocamycin

oxoanolobine

PDE I

Ndelta-Phosphosulfamylornithine

C5H14N3O7PS (291.0290064)

ammosamide B

C12H10ClN5O2 (291.052299)

1-((2L)-2-carboxy-5-oxo-1-pyrrolidinyl)-1-deoxy-D-fructose|1-<(2L)-2-carboxy-5-oxo-1-pyrrolidinyl>-1-deoxy-D-fructose|N-(1-deoxy-D-fructos-1-yl)-5-oxo-L-proline|N-(1-deoxy-D-fructos-1-yl)-L-pyroglutamic acid monohydrate

1-((2L)-2-carboxy-5-oxo-1-pyrrolidinyl)-1-deoxy-D-fructose|1-<(2L)-2-carboxy-5-oxo-1-pyrrolidinyl>-1-deoxy-D-fructose|N-(1-deoxy-D-fructos-1-yl)-5-oxo-L-proline|N-(1-deoxy-D-fructos-1-yl)-L-pyroglutamic acid monohydrate

Isosalviamine E

6-bromo-2-(1,1-dimethyl-2-propenyl)-1h-indole-3-carbaldehyde

E-dimethyl rhoifolinate

C14H13NO6 (291.0742838)

C11H17NO8

Lysicamine

Salviamine B

N-Formyldehydroanonaine

C10H13NO3S3 (291.00575480000003)

Varacin B

Oxopukateine

Neodysiherbaine|neodysiherbaine A

p-Chlorphenylpremercapturinsaeure

Lysicamine

15,16-dimethoxy-10-azatetracyclo[7.7.1.0?,?.0??,??]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one

Lysicamine is an alkaloid antibiotic and an oxoaporphine alkaloid. It has a role as a metabolite. Lysicamine is a natural product found in Annona purpurea, Annona papilionella, and other organisms with data available. A natural product found in Annona glabra.

norsertraline

Cis-(+/-)-4-(3,4-Dichlorophenyl)-1,2,3,4-Tetrahydro-1-Naphthalenamine

CONFIDENCE standard compound; EAWAG_UCHEM_ID 3623 CONFIDENCE standard compound; INTERNAL_ID 1566

Indatraline

C8H10ClN5O3S (291.0192860000001)

C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent

Thiamethoxam

Pesticide5_Thiamethoxam_C8H10ClN5O3S_4H-1,3,5-Oxadiazin-4-imine, 3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-N-nitro-, (4E)-

D010575 - Pesticides > D007306 - Insecticides > D000073943 - Neonicotinoids D016573 - Agrochemicals

4-((Ethylanilino)methyl)benzenesulphonic acid

3-((Ethyl(phenyl)amino)methyl)benzenesulfonic acid

CONFIDENCE standard compound; INTERNAL_ID 879; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2785; ORIGINAL_PRECURSOR_SCAN_NO 2784 CONFIDENCE standard compound; INTERNAL_ID 879; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2801; ORIGINAL_PRECURSOR_SCAN_NO 2800 CONFIDENCE standard compound; INTERNAL_ID 879; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2761; ORIGINAL_PRECURSOR_SCAN_NO 2760 CONFIDENCE standard compound; INTERNAL_ID 879; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2781; ORIGINAL_PRECURSOR_SCAN_NO 2780 CONFIDENCE standard compound; INTERNAL_ID 879; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2778; ORIGINAL_PRECURSOR_SCAN_NO 2777 INTERNAL_ID 879; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2778; ORIGINAL_PRECURSOR_SCAN_NO 2777 CONFIDENCE standard compound; INTERNAL_ID 879; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5868; ORIGINAL_PRECURSOR_SCAN_NO 5866 CONFIDENCE standard compound; INTERNAL_ID 879; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5916; ORIGINAL_PRECURSOR_SCAN_NO 5914 DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 879; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5907; ORIGINAL_PRECURSOR_SCAN_NO 5904 CONFIDENCE standard compound; INTERNAL_ID 879; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5907; ORIGINAL_PRECURSOR_SCAN_NO 5904 CONFIDENCE standard compound; INTERNAL_ID 879; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5930; ORIGINAL_PRECURSOR_SCAN_NO 5929 CONFIDENCE standard compound; INTERNAL_ID 879; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5941; ORIGINAL_PRECURSOR_SCAN_NO 5939 CONFIDENCE standard compound; INTERNAL_ID 879; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5936; ORIGINAL_PRECURSOR_SCAN_NO 5934

Zomepirac; AIF; CE0; CorrDec

Zomepirac; AIF; CE10; CorrDec

Zomepirac; AIF; CE30; CorrDec

Zomepirac; AIF; CE0; MS2Dec

Zomepirac; AIF; CE10; MS2Dec

Zomepirac; AIF; CE30; MS2Dec

1,N2-Etheno-deoxyguanosine

Metaproterenol 3-O-sulfate

Desmethylsertraline

N4-Acetylsulfapyridine

Zalcitabine monophosphate

Toyocamycin

An N-glycosylpyrrolopyrimidine that is tubercidin in which the hydrogen at position 5 of the pyrrolopyrimidine moiety has been replaced by a cyano group. D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Toyocamycin (Vengicide) is an adenosine analog produced by Streptomyces diastatochromogenes, acts as an XBP1 inhibitor. Toyocamycin blocks RNA synthesis and ribosome function, and induces apoptosis. Toyocamycin affects IRE1α-XBP1 pathway, and inhibits XBP1 mRNA cleavage with an IC50 value of 80 nM with affecting IRE1α auto-phosphorylation. Toyocamycin specifically inhibits CDK9 with an IC50 value of 79 nM[1][2][3].

Avenalumin III

2-[(1Z,3E)-4-(4-hydroxyphenyl)buta-1,3-dien-1-yl]-4H-3,1-benzoxazin-4-one

C12H10ClN5S (291.03454100000005)

2-Chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin- 4-amine

Ketone 2-amino-4,5,6,7-tetrahydrobenzo[b]thien-3-yl o-chlorophenyl

C15H14ClNOS (291.0484584)

(1S,4R)-METHYL 4-AMINOCYCLOPENT-2-ENECARBOXYLATE (2R,3R)-2,3-DIHYDROXYSUCCINATE

ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl thiazole-5-carboxylate

6-BROMO-2-PIPERAZIN-1-YL-QUINOLINE

C11H18ClN3O2S (291.08081980000003)

4-(1-Pyrrolidinylsulforylmenthyl)phenylhydrazine hydrochloride

Amidapsone

C254 - Anti-Infective Agent > C849 - Sulfone Anti-Infective Agent

2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidine,hydrochloride

C12H18ClNO3S (291.0695868)

2-(2-methyl-2H-pyridin-1-yl)-1-phenyl-ethanone

[2-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]methanol

C12H9F4NOS (291.0340952)

5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C12H9ClF3NS (291.00963)

8-(ethoxycarbonyl)-6-methoxy-7-methyl-6h-[1,2,5]oxadiazolo[4,3-e]indol-3-ium-3-olate

tert-butyl 4-(2-bromoethyl)piperidine-1-carboxylate

C12H22BrNO2 (291.0833812)

4-Chloro-2-methyl-3-(3-oxobutyl)quinoline-6-carboxylic acid

4-CHLORO-2-METHYL-3-(3-OXO-BUTYL)-QUINOLINE-6-CARBOXYLIC ACID

Azure A

7-Amino-N,N-dimethyl-3H-phenothiazin-3-iminium chloride

C14H14ClN3S (291.0596914)

D004396 - Coloring Agents > D001399 - Azure Stains

1-(4-BROMOBUTOXY)-4-METHYLBENZENE

4-(METHYL-PHENYL-SULFAMOYL)-BENZOIC ACID

C11H8F3NO3S (291.01769740000003)

4-(2-bromoacetamido)-2,2,6,6-tetramethyl-1-piperidinyloxy

C11H20BrN2O2 (291.070806)

3-OXO-6-(TRIFLUOROMETHYL)-3,4-DIHYDRO-2H-1,4-BENZOTHIAZIN-2-YL]ACETIC ACID

Carprazidil

C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent

2-CHLORO-5-{[ISOPROPYL(METHYL)AMINO]SULFONYL}BENZOIC ACID

oxazepam-d5

C15H6ClD5N2O2 (291.08228749)

tert-butyl 3-(2-bromoacetyl)pyrrolidine-1-carboxylate

C11H18BrNO3 (291.0469978)

ETHYL 4-FORMYL-2,5-DIMETHYL-1-(2-THIENYLMETHYL)-1H-PYRROLE-3-CARBOXYLATE

C11H15BrClNO (291.00254700000005)

4-(4-Bromophenoxy)piperidine hydrochloride (1:1)

N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide

4-(4-Methylphenylsulfonamido)benzoic acid

2,3,5,6-TETRAFLUORO-4-(PHENYLSULPHONYL)PYRIDINE

C11H5F4NO2S (290.9977118)

2-HYDROXY-6-METHYL-3-NITROPYRIDINE

C12H15Cl2NO3 (291.042894)

Coumarin 175

C11H10NNaO5S (291.017737)

3-(2,5,5-Trimethyl-1,3-dioxan-2-yl)thiophene-2-sulfonamide

C11H17NO4S2 (291.0598962)

3-[(4-Amino-3-methylphenyl)azo]benzenesulfonic acid

C13H16Cl3N (291.03482660000003)

2,4,6-trichloro-N-(cyclohexylmethyl)aniline

3-CHLORO-4-METHOXY-3-NITROBENZOPHENONE

C11H15BrClNO (291.00254700000005)

4-(3-bromophenoxy)piperidine,hydrochloride

2-bromo-1-[6-(dimethylamino)naphthalen-2-yl]ethanone

2-(2-ETHOXYETHOXY)ANILINE

C11H15Cl2N3O2 (291.054127)

8-Bromo-2-(piperazin-1-yl)quinoline

C14H11Cl2N3 (291.03299860000004)

N-(3,4-dichlorophenyl)-N-methyl-1H-benzimidazol-2-amine

1,3-Dithietane-2-carboxylic acid, 4-[1-(aminocarbonyl)-2-(1,1-dimethylethoxy)-2-oxoethylidene]

C10H13NO5S2 (291.0235128)

5-(BENZYLOXY)-2-BROMO-4-METHYLANILINE

6-FLUOROQUINOLINE-2,3-DICARBOXYLIC ACID DIETHYL ESTER

C15H14FNO4 (291.0906816)

Lobenzarit

D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C26170 - Protective Agent > C275 - Antioxidant D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents

PIPERAZINE ACETIC ACID ANILIDE DIHYDROCHLORIDE

C12H19Cl2N3O (291.0905104)

4-Nitro-2,6-diphenylphenol

C11H15Cl2N3S (291.03636900000004)

2-(5-(MORPHOLINOSULFONYL)THIOPHEN-2-YL)ACETIC ACID

C10H13NO5S2 (291.0235128)

4-bromo-n-isopropylamphetamine hydrochloride

C12H19BrClN (291.0389304)

3-(Piperazin-1-yl)benzo[d]isothiazole dihydrochloride

N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide

4-Quinolinecarboxylic acid, 2-(2,3-dihydro-5-benzofuranyl)

ETHYL 2-AMINO-5-(4-METHOXY-PHENYL)-4-METHYL-THIOPHENE-3-CARBOXYLATE

4-BROMO-1-(PIPERAZIN-1-YL)ISOQUINOLINE

C11H9N5O3S (291.04260840000006)

(S)-(+)-NBD-PY-NCS

1H-Benz[g]indole-3-carboxaldehyde,2-(5-methyl-2-thienyl)-(9CI)

C18H13NOS (291.07178080000006)

2-(4-[(3,4-DICHLOROBENZYL)OXY]PHENYL)ACETONITRILE

C15H11Cl2NO (291.02176560000004)

ethyl 5-(methoxycarbonylsulfamoyl)-1-methylpyrazole-4-carboxylate

C9H13N3O6S (291.05250380000007)

3-(2-Bromoacetamidomethyl)-PROXYL3-(2-Bromoacetamidomethyl)-2,2,5,5-tetramethyl-1-pyrrolidinoxy

C11H20BrN2O2 (291.070806)

6-BROMO-2,2-DIMETHYLCHROMAN-4-AMINE

C11H15BrClNO (291.00254700000005)

Radafaxine hydrochloride

Radafaxine (hydrochloride)

C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent

Tert-butyl [4-(chlorosulfonyl)phenyl]carbamate

C14H10ClNO2S (291.01207500000004)

4-chloro-6-nitro-7-propan-2-yloxyquinoline-3-carbonitrile

C13H10ClN3O3 (291.041066)

1-(benzenesulfonyl)-6-chloroindole

5-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C12H10BrN3O (291.000719)

Benzyl (2,4-difluoro-3-formylphenyl)carbamate

C15H11F2NO3 (291.070696)

[3-(Benzylsulfamoyl)phenyl]boronic acid

C13H14BNO4S (291.07365540000006)

2-Chloro-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide

C13H10ClN3OS (291.02330800000004)

N-[2-(Piperazin-1-yl)phenyl]methylsulphonamide hydrochloride

C11H18ClN3O2S (291.08081980000003)

3,3,3-trifluoro-2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid

C12H12F3NO4 (291.07183879999997)

1-(4-bromo-3-methylphenyl)-2,5-dimethylpyrrole-3-carbaldehyde

CHEMBRDG-BB 6619297

tert-butyl 3-(2-bromoethyl)piperidine-1-carboxylate

C12H22BrNO2 (291.0833812)

3-[(4-methylphenyl)sulfonylamino]benzoate

C14H11Cl2N3 (291.03299860000004)

1H-Indazol-5-amine, 1-[(3,4-dichlorophenyl)methyl]

METHYL 7-NITRO-5-OXO-3,5-DIHYDRO-2H-OXAZOLO[2,3-B]QUINAZOLINE-8-CARBOXYLATE

C12H9N3O6 (291.04913339999996)

ethyl (E)-3-(2-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-enoate

C12H12F3NO4 (291.07183879999997)

2,3-PYRIDINEDICARBOXYLIC ACID, 5-(TRIFLUOROMETHYL)-, DIETHYL ESTER

3-THIOPHENECARBOXYLIC ACID, 2-AMINO-4-(4-METHOXYPHENYL)-5-METHYL-, ETHYL ESTER

2-[(4-methylphenyl)sulfonylamino]benzoic acid

2-{[METHYL(PHENYL)AMINO]SULFONYL}BENZOIC ACID

4-Chloro-3-diethylsulfaMoyl-benzoic acid

3-[(TERT-BUTYLAMINO)SULFONYL]-4-CHLOROBENZOIC ACID

2-(2,5-DIMETHOXYPHENYLTHIO)PYRIDINE-3-CARBOXYLIC ACID

3-(4-benzylpyridin-1-ium-1-yl)propane-1-sulfonate

C11H9N5O3S (291.04260840000006)

(R)-(-)-NBD-PY-NCS

MCLA hydrochloride

7-BENZYL-3-BROMO-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRAZINE

7-Amino-3-(1-pyridylmethyl)-3-cephem-4-carboxylic Acid

S)-2-((Methoxycarbonyl)amino)-3-Methylbutanoic acid

Pomalidomide Impurity 4

Febuxostat Descyano Impurity

Rubber Accelerator SDBC

C9H18NS4Na (291.0219748)

2-chloro-N-(2,5-dimethoxyphenyl)benzamide

ethyl (S)-10-fluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate

C15H14FNO4 (291.0906816)

2-Propenoic acid, 2-cyano-3-[(3-Methoxy-4-nitrophenyl)aMino]-, ethyl ester

2,6-Dichloro-4-nitro-benzoic acid tert-butyl ester

C11H11Cl2NO4 (291.0065106)

(S,S)-Hydroxy Bupropion

C13H14BNO4S (291.07365540000006)

(5-((((Benzyloxy)carbonyl)amino)methyl)thiophen-2-yl)boronic acid

1-(5-Bromo-6-methylpyridin-2-yl)piperazine hydrochloride

C10H15BrClN3 (291.01378)

2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1H-quinolin-4-one

C16H12F3NO (291.0870938)

ethyl 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxylate

1,3-Diphenylguanidine hydrobromide (1:1)

7-BENZYL-1-BROMO-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRAZINE

N-(4-acetylphenyl)-4-hydroxybenzenesulfonamide

C13H14BNO4S (291.07365540000006)

[4-(Benzylsulfamoyl)phenyl]boronic acid

6-BROMO-4-(PIPERAZIN-1-YL)QUINOLINE

ART-CHEM-BB B014651

C11H15ClNO4P (291.04271900000003)

3-Bromo-7-(furan-2-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine

C12H10BrN3O (291.000719)

(2S)-ETHYL 2-((CHLORO(PHENOXY)PHOSPHORYL)AMINO)PROPANOATE

Dasotraline

C78272 - Agent Affecting Nervous System

(2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)(4-chlorophenyl)methanone

C15H14ClNOS (291.0484584)

Cytidine 5-monophosphate

2,3-Dideoxycytidine-5-monophosphate

5-Methyl-2-[(phenylsulfonyl)amino]benzoic acid

4-(4-Chlorophenyl)-2-(2-cyclopentylidenehydrazinyl)thiazole

C14H14ClN3S (291.0596914)

Karetazan

Alizarine Blue

C13H10FN3S2 (291.03001520000004)

4-allyl-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)-4H-1,2,4-triazole-3-thiol

C14H17N3S2 (291.0863842)

N-(4-methylphenyl)sulfonylbenzenecarbothioamide

C14H13NO2S2 (291.0387678)

5-[2-(4-Fluoroanilino)vinyl]-3-(methylsulfanyl)-4-isothiazolecarbonitrile

3-[[(4-Methoxyphenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester

2-[[2-furanyl(oxo)methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester

N-acetyldichloro-L-tyrosine

C11H11Cl2NO4 (291.0065106)

alpha-Methyldopa-3-0-sulfate

C10H13NO7S (291.0412708)

(5r)-2-Sulfanyl-5-[4-(Trifluoromethyl)benzyl]-1,3-Thiazol-4-One

C11H8F3NOS2 (290.9999394)

Cloranolol

1,N6-Ethenoadenosine

2-(hydroxymethyl)-5-{3H-imidazo[2,1-f]purin-3-yl}oxolane-3,4-diol

N-acetyl-2,7-anhydro-alpha-neuraminic acid

Toyokamycin

D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents

(2-l-cystein-S-yl-1,4-dihydroxycyclohex-5-en-1-yl)-acetic acid

2-[amino-[[(3S)-3-azaniumyl-3-carboxylatopropoxy]amino]methylidene]azaniumylbutanedioate

C9H15N4O7- (291.09407)

13-Hydroxynorjavanicin

C14H11O7- (291.0504756)

1-(6-aminopurin-9-yl)-3-(hydroxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene-4,5-diol

(2r,3ar,6r,7r,7ar)-2-[(2s)-2-Amino-2-Carboxyethyl]-6,7-Dihydroxyhexahydro-2h-Furo[3,2-B]pyran-2-Carboxylic Acid

C13H10ClN3OS (291.02330800000004)

2-methyl-N-(2,3,4,5,6-pentafluorophenyl)-3-furancarboxamide

C12H6F5NO2 (291.0318676)

4-(4-Chlorophenyl)-1-methyl-2-(methylthio)-6-oxo-5-pyrimidinecarbonitrile

2-{[3-(2-Furyl)acryloyl]amino}-4,5-dimethyl-3-thiophenecarboxylic acid

AT-Csc-07

N-(5-chloro-2-hydroxyphenyl)-2-ethoxybenzamide

N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide

peniphenone D(1-)

C15H15O6- (291.086859)

2-(2-methoxyphenyl)-1-methyl-3,5-dinitro-2H-pyridine

C16H10FN5 (291.09201920000004)

4-[2-(4-Fluorophenyl)-5-tetrazolyl]quinoline

(3,5-Dichloro-2,4,6-trihydroxyphenyl)hexan-1-one(1-)

C12H13Cl2O4- (291.0190858)

A phenolate anion resulting from removal of the proton from the phenolic hydroxy group of (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one that is para to the hexanoyl group. The major structure at pH 7.3.

2-[2-(4-Tert-butylphenyl)-4-hydroxy-1,3-thiazol-5-yl]acetic acid

5-nitro-2-[[5-(triluoromethyl)-1H-1,2,4-triazol-3-yl]sulanyl]pyridine

C8H4F3N5O2S (291.00378)

4-Hydroxy-3,6-dioxo-2,5-diphenylcyclohexa-1,4-dien-1-olate

C18H11O4- (291.0657306)

4H-3,1-Benzoxazin-4-one, 2-(4-(4-hydroxyphenyl)-1,3-butadienyl)-

(2R)-2-amino-N-[4-chloro-2-[oxo(1H-pyrrol-2-yl)methyl]phenyl]propanamide

3-amino-N-[4-chloro-2-[oxo(1H-pyrrol-2-yl)methyl]phenyl]propanamide

C13H12BrN2O+ (291.01329419999996)

6-Bromoharminium(1+)

2-bromo-N-[2-(2-naphthalenyl)ethyl]acetamide

etheno-dG

(E)-3-Benzoylmethylene-1-phenyl-2,5-pyrrolidinedione

1-Methyl-4-(1-methoxycarbonyl-2-pyrrolomethylene)-3-methoxycarbonyl-2-pyrazolin-5-one

5-Methyl-2,3-dimethoxycarbonyl-5,6-dihydropyrrolo(1,2-D)(1,2,4)triazocin-6-one

C10H14NO5PS (291.03302840000003)

parathion

D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals

brimonidine

C11H10BrN5 (291.011952)

S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EA - Sympathomimetics in glaucoma therapy S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics > S01GA - Sympathomimetics used as decongestants C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D - Dermatologicals Brimonidine (UK 14304) is a full α2-adrenergic receptor (α2-AR) agonist.

N-acetyl-2,3-didehydro-2-deoxyneuraminic acid

D004791 - Enzyme Inhibitors

(1R,2R,3S,5R)-2-acetamido-7-(1,2-dihydroxyethyl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid

Acetamide, N-[4-[(2-pyridinylamino)sulfonyl]phenyl]-

D000890 - Anti-Infective Agents > D013424 - Sulfanilamides

Hawkinsin

A cysteine derivative that is cysteine in which the thiol group is substituted by a [2-(carboxymethyl)-2,5-dihydroxycyclohex-3-en-1-yl]sulfanediyl group. Hawkinsinuria is an inherited disorder which is characterized by the inability to break down the amino acid tyrosine. This results in the finding of certain metabolites in the urine, such as hawkinsin.

Orciprenaline-3-O-sulfate

GS-441524

A C-nucleoside analog that is (2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-carbonitrile substituted by a 4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl group at position 2. It is the active metabolite of remdesivir and exhibits a broad range of inhibitory activity against various RNA viruses including HCV, parainfluenza and SARS-CoV.

neodysiherbaine A

A furopyran that is (3aR,7aR)-hexahydro-2H-furo[3,2-b]pyran substituted by carboxy, (2S)-2-amino-2-carboxyethyl, hydroxy and hydroxy groups at positions 2, 2, 6, and 7, respectively (the 2R,3aR,6R,7R,7aR-stereoisomer). A convulsant isolated from the marine sponge Dysidea herbacea.

Deoxy-dehydro-N-acetylneuraminic acid