Exact Mass: 345.1172
Exact Mass Matches: 345.1172
Found 439 metabolites which its exact mass value is equals to given mass value 345.1172,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Triflumizole
CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4745; ORIGINAL_PRECURSOR_SCAN_NO 4742 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4719; ORIGINAL_PRECURSOR_SCAN_NO 4717 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4736; ORIGINAL_PRECURSOR_SCAN_NO 4734 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4793; ORIGINAL_PRECURSOR_SCAN_NO 4791 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4768; ORIGINAL_PRECURSOR_SCAN_NO 4766 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4866; ORIGINAL_PRECURSOR_SCAN_NO 4864 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9932; ORIGINAL_PRECURSOR_SCAN_NO 9930 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9966; ORIGINAL_PRECURSOR_SCAN_NO 9964 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9898; ORIGINAL_PRECURSOR_SCAN_NO 9896 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9932; ORIGINAL_PRECURSOR_SCAN_NO 9927 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9953; ORIGINAL_PRECURSOR_SCAN_NO 9952 CONFIDENCE standard compound; INTERNAL_ID 1088; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9950; ORIGINAL_PRECURSOR_SCAN_NO 9949
Omeprazole
Omeprazole is a highly effective inhibitor of gastric acid secretion used in the therapy of stomach ulcers, dyspepsia, peptic ulcer disease , gastroesophageal reflux disease and Zollinger-Ellison syndrome. The drug inhibits the H(+)-K(+)-ATPase (H(+)-K(+)-exchanging ATPase) in the proton pump of Gastric Parietal Cells.--Pubchem. Omeprazole is one of the most widely prescribed drugs internationally and is available over the counter in some countries. Proton pump inhibitor, inhibits gastric acid secretion. Antiulcer agent. It is used in combination with Amoxicillin for eradication of Helicobacter pylori and for the treatment of gastroesophageal reflux disease (CCD) A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Omeprazole (H 16868), a proton pump inhibitor (PPI), is available for treatment of acid-related gastrointestinal disorders. Omeprazole shows competitive inhibition of CYP2C19 activity with a Ki of 2 to 6 μM[1]. Omeprazole also inhibits growth of Gram-positive and Gram-negative bacteria[2].Omeprazole is a potent brain penetrant neutral sphingomyelinase (N-SMase) inhibitor (exosome inhibitor)[3].
Thiamine monophosphate
Thiamine monophosphate, also known as thiamin phosphoric acid or TMP, belongs to the class of organic compounds known as thiamine phosphates. These are thiamine derivatives in which the hydroxyl group of the ethanol moiety is substituted by a phosphate group. Thiamine monophosphate is a very strong basic compound (based on its pKa). Thiamine monophosphate is one of the five known natural thiamine phosphate derivatives. Thiamine (vitamin B1) is the transport form of the vitamin while the phosphorylated derivatives are the active forms. Thiamine dihydrogen phosphate ester. The monophosphate ester of thiamine. Synonyms: monophosphothiamine; vitamin B1 monophosphate. -- Pubchem [HMDB] Acquisition and generation of the data is financially supported in part by CREST/JST. D018977 - Micronutrients > D014815 - Vitamins KEIO_ID T057; [MS3] KO009298 KEIO_ID T057; [MS2] KO009297 KEIO_ID T057
Capensinidin
An anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at positions 3 and 7, a methoxy group at position 5 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 2 respectively.
Hirsutidin
An anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at positions 3 and 5, a methoxy group at position 7 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 2.
Isofenphos
Isofenphos is an Agricultural insecticide with contact and stomach actio C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Esomeprazole
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor
Esomeprazole
Esomeprazole is a proton pump inhibitor (brand names Nexium; Esomeprazole is a proton pump inhibitor which reduces gastric acid secretion through inhibition of H+/K+-ATPase in gastric parietal cells. By inhibiting the functioning of this enzyme, the drug prevents formation of gastric acid.; Esopral and Axagon in Italy) used in the treatment of dyspepsia, peptic ulcer disease (PUD), gastroesophageal reflux disease (GORD/GERD) and Zollinger-Ellison syndrome. Esomeprazole is the S-enantiomer of omeprazole (marketed as Losec/Prilosec), and AstraZeneca claims improved efficacy of this single enantiomer product over the racemic mixture of omeprazole (see below).; Esopral and Axagon in Italy) used in the treatment of dyspepsia, peptic ulcer disease (PUD), gastroesophageal reflux disease (GORD/GERD) and Zollinger-Ellison syndrome. Esomeprazole is the S-enantiomer of omeprazole (marketed as Losec/Prilosec), and AstraZeneca claims improved efficacy of this single enantiomer product over the racemic mixture of omeprazole (see below).; Esomeprazole is a proton pump inhibitor (brand names Nexium; Esomeprazole is a proton pump inhibitor (brand names Nexium; Lucen; Esopral and Axagon in Italy) used in the treatment of dyspepsia, peptic ulcer disease (PUD), gastroesophageal reflux disease (GORD/GERD) and Zollinger-Ellison syndrome. Esomeprazole is the S-enantiomer of omeprazole (marketed as Losec/Prilosec), and AstraZeneca claims improved efficacy of this single enantiomer product over the racemic mixture of omeprazole (see below).; Lucen; A highly effective inhibitor of gastric acid secretion used in the therapy of stomach ulcers and Zollinger-Ellison syndrome. The drug inhibits the H(+)-K(+)-ATPase (H(+)-K(+)-exchanging ATPase) in the proton pump of gastric parietal cells. [HMDB] Esomeprazole (brand names Nexium; Lucen; Esopral and Axagon in Italy) is a proton pump inhibitor which reduces gastric acid secretion through the inhibition of H+/K+-ATPase in gastric parietal cells. By inhibiting the functioning of this enzyme, the drug prevents the formation of gastric acid. Esomeprazole is used in the treatment of dyspepsia, peptic ulcer disease (PUD), gastroesophageal reflux disease (GORD/GERD), and Zollinger-Ellison syndrome. Esomeprazole is the S-enantiomer of omeprazole (marketed as Losec/Prilosec), and AstraZeneca claims improved efficacy of this single enantiomer product over the racemic mixture of omeprazole. A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors
3-(3-Amino-3-carboxypropyl)uridine
(2-(2',6'-Dimethoxy)phenoxyethylamino)methylbenzo-1,4-dioxane
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
1-(4-Chlorophenyl)-2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
5-(Dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003619 - Dansyl Compounds D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents BMS 182874 is an orallyactive, highly selective endothelin receptor (ETA receptor) antagonist, with IC50 value of 0.150 μM, Ki of 0.055 μM. BMS 182874 reduces the arterial pressure of Deoxycorticosterone acetate (HY-B1472) induced hypertension model in rats, and can be used for cardiovascular disease research[1].
4-[2-(3,4-Dihydro-6,7-dimethoxy-4-methyl-3-oxo-2-quinoxalinyl)ethyl]-3H-1,2,4-triazole-3,5(4H)-dione
Oxo-ciprofloxacin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
Oxociprofloxacin
2-(Furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D020011 - Protective Agents SCH 58261 is a potent, selective and competitive antagonist of adenosine A2A receptor with an IC50 of 15 nM, and displays 323-, 53- and 100-fold more selective for A2A receptor than A1, A2B, and A3 receptors, respectively[1][2][3].
Tetraisopropylpyrophosphoric acid amide
Vonoprazan
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor
2-(n-butyl)-5-hydroxy-7-phenyl-2H-benzo[de]isoquinoline-1,6-dione
EP_M346
CONFIDENCE Transformation product, tentative ID (Level 3 structure); INTERNAL_ID 2201
10beta-Hydroxy-3,4-dimethoxy-17-methyl-hasubanan-7,8-dion|10beta-hydroxy-3,4-dimethoxy-17-methyl-hasubanan-7,8-dione
3-(3-Amino-3-carboxypropyl)-uridin|3-(3-amino-3-carboxypropyl)uridine|acp3U|X-Nucleosid
(+/-)-N-formyl-1,2-dihydrorenierone|(2-formyl-1,2,5,8-tetrahydro-7-methoxy-6-methyl-5,8-dioxo-1-isoquinolinyl)methyl (2Z)-2-methyl-2-butenoate|N-Formyl-1,2-dihydrorenierone
6-Mehylaminopurindeoxyribosid-5-monophosphat|N6-methyl-2-deoxy-[5]adenylic acid|N6-methyl-2-deoxyadenosine 5-monophosphate|N6-Methyl-2-desoxy-[5]adenylsaeure|N6-methyl-dAMP|N6-methyldeoxyadenosine 5-phosphate
3alpha,6alpha,7-trimethoxy-crin-1-ene|6-Methoxybuphanidrin|6alpha-methoxy-buphanidrine|6alpha-methoxybuphanidrine
N-2-(3,4,5-trimethoxyphenyl)ethyl-2-hydroxybenzamide
2-Butyl-5-hydroxy-7-phenyl-6H-benzo[de]isoquinoline-1,6(2H)-dione
1-Hydroxy-2,3,5,6-tetramethoxy-10-methylacridin-9(10H)-one
4,5-epoxy-10-hydroxy-3,6-dimethoxy-17-methyl-morphinan-8-one|Metaphanin
1-(1-Methoxyethyl)-8,13-dihydroindolo[2,3:3,4]pyrido[1,2-b][2,7]naphthyridine-5(7H)-one
clopamide
C - Cardiovascular system > C03 - Diuretics > C03B - Low-ceiling diuretics, excl. thiazides > C03BA - Sulfonamides, plain C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49185 - Thiazide Diuretic D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
omeprazole
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 8334 CONFIDENCE standard compound; INTERNAL_ID 1113 Omeprazole (H 16868), a proton pump inhibitor (PPI), is available for treatment of acid-related gastrointestinal disorders. Omeprazole shows competitive inhibition of CYP2C19 activity with a Ki of 2 to 6 μM[1]. Omeprazole also inhibits growth of Gram-positive and Gram-negative bacteria[2].Omeprazole is a potent brain penetrant neutral sphingomyelinase (N-SMase) inhibitor (exosome inhibitor)[3].
Ala Ala Ala Asn
Ala Ala Gly Gln
Ala Ala Asn Ala
Ala Ala Gln Gly
Ala Gly Ala Gln
Ala Gly Gln Ala
Ala Asn Ala Ala
Ala Gln Ala Gly
Ala Gln Gly Ala
Gly Ala Ala Gln
Gly Ala Gln Ala
Gly Gly Asn Val
Gly Gly Val Asn
Gly Asn Gly Val
Gly Asn Val Gly
Gly Gln Ala Ala
Gly Val Gly Asn
Gly Val Asn Gly
Asn Ala Ala Ala
Asn Gly Gly Val
Asn Gly Val Gly
Asn Val Gly Gly
Gln Ala Ala Gly
Gln Ala Gly Ala
Gln Gly Ala Ala
Val Gly Gly Asn
Val Gly Asn Gly
Val Asn Gly Gly
2- (2,6-DIMETHOXYPHENOXYETHYL)AMINOMETHYL-1,4-BENZODIOXANE (WB 4101)
2-amino-6-(4-methoxyphenyl)-3-nitro-4-phenylbenzonitrile
3,3-Bis(3-methyl-4-hydroxyphenyl)indoline-2-on
N-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-sulfonamide
benzoxazolium, 2-methyl-5-phenyl-3-(4-sulfobutyl)-,hydroxide, inner salt
1-BOC-4-[3-(TRIFLUOROMETHYL)PHENYL]-4-HYDROXYPIPERIDINE
5-O-benzyl 2-O-ethyl 6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxylate
2-[4-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperazin-1-yl]-4-methyl-1,3-thiazole
Metofoline
C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
R-Fluoxetine hydrochloride
C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
sodium,methyl 2,2-dimethyl-4,6-dioxo-5-[(E)-N-prop-2-enoxy-C-propylcarbonimidoyl]cyclohexane-1-carboxylate
Tretoquinolum
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
3-(3-(NAPHTHALEN-1-YLOXY)PROPYL)-1H-INDOLE-2-CARBOXYLIC ACID
2-amino-4-(4-methoxyphenyl)-3-nitro-6-phenylbenzonitrile
tert-butyl 4-(4-amino-2-(trifluoromethyl)phenyl)piperazine-1-carboxylate
Piperidine,2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-, hydrochloride (1:1), (2R)-
N-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)phenyl)acetamide
2-CHLORO-1-(6,7-DIMETHOXY-1-PHENYL-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-ETHANONE
(S)-N1-(2-aminoethyl)-3-(4-ethoxyphenyl)propane-1,2-diamine.3HCl
3-[2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methylpyridin-4-yl]oxypropan-1-ol
Savolitinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
N-(4-(5-(FURAN-2-YL)-1,3,4-OXADIAZOL-2-YL)PHENYL)-2-PHENYLACETAMIDE
4-(2-Amino-4-trifluoromethyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
3,3-Diphenyltetrahydrofuran-2-ylidene(dimethyl)ammonium bromide
Carbamic acid, [5-oxo-5-[4-(trifluoromethyl)phenyl]pentyl]-, 1,1-dimethylethyl ester
1,1,2-trimethyl-3-(4-sulfobutyl)-1h-benz[e]indolium hydroxide, inner salt
3-[1-[5-(Trifluoromethyl)-2-pyridinyl]-4-piperidinyl]-1H-indole
3-(4-CHLORO-BENZENESULFONYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1-(TERT-BUTOXYCARBONYL)-5-(TRIFLUOROMETHOXY)INDOLE-2-BORONIC ACID
[1-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethoxy)indol-2-yl]boronic acid
Piperidine,2-(2,2-diphenyl-1,3-dioxolan-4-yl)-, hydrochloride (1:1)
2-Pyridinecarboxylic acid, 4-[4-(methylamino)-3-nitrophenoxy]-, 1,1-dimethylethyl ester
2-dodecylsulfanylcarbothioylsulfanyl-2-methylpropanenitrile
Fluoxetine Hydrochloride
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators
3-(3-Trifluoromethyl-phenoxy)-piperidine-1-carboxylic acid tert-butyl ester
2-(5-((TERT-BUTOXYCARBONYL)AMINO)-6-OXO-2-PHENYLPYRIMIDIN-1(6H)-YL)ACETIC ACID
4-methylsulfanyl-2,7-diphenyl-8H-pyrido[2,3-d]pyrimidin-5-one
tert-butyl 5-(trifluoromethylsulfonyloxy)-2,3,4,7-tetrahydroazepine-1-carboxylate
Benzydamine hydrochloride
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D000893 - Anti-Inflammatory Agents
N-methyl-2-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]ethanamine
(4R,4aR,7S,7aR,12bS)-3-methyl-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-3-ium-7,9-diol,acetate
4-PHENYL-1-(PHENYLSULFONYL)PIPERIDINE-4-CARBOXYLIC ACID
benzene-1,2,4-tricarboxylic acid,3-(2-methylimidazol-1-yl)propanenitrile
2-amino-4-(3-methoxyphenyl)-3-nitro-6-phenylbenzonitrile
(4-PHENYLPIPERAZIN-1-YL)PIPERIDIN-4-YL-METHANONE DIHYDROCHLORIDE
tert-Butyl 4-(2-(trifluoromethyl)phenoxy)piperidine-1-carboxylate
4-[[4-[4-(hydroxymethyl)-2,6-dimethylanilino]pyrimidin-2-yl]amino]benzonitrile
3-[5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1H-1,2,4-triazole-5-thione
3,4-bis(2,4,5-trimethylthiophen-3-yl)pyrrole-2,5-dione
(5,6-Diphenyl-furo[2,3-d]pyrimidin-4-ylamino)-acetic acid
(5,6-Diphenyl-furo[2,3-D]pyrimidin-4-ylamino)-acetic
Gevotroline hydrochloride
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Tretoquinol
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
Ethyl 5-amino-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
(E)-3-(4-fluorophenyl)-N-[(pyrazine-2-carbonylamino)carbamothioyl]prop-2-enamide
3-(1-Acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]urea
4-amino-N-[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]benzamide
2-[[anilino(oxo)methyl]amino]-N-(phenylmethyl)benzamide
methyl 2-[4-(4-chlorobenzoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate
2-[[3-(5-Methyl-2-furanyl)-1-oxopropyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]acetamide
2-[[4-(4-Methoxyphenyl)-2-pyrimidinyl]thio]-1-(4-morpholinyl)ethanone
2-(4-Tert-butylphenyl)-3-oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile
1-benzyl-5-chloro-N-cycloheptyl-3-methyl-1H-pyrazole-4-carboxamide
N-[[3-Fluoro-4-ethoxy-pyrid-2-YL]ethyl]-N-[5-nitrilomethyl-pyridyl]-thiourea
4-(2-(1H-imidazol-4-yl)ethylamino)-2-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
N-Hydroxy 1N(4-methoxyphenyl)sulfonyl-4-(Z,E-N-methoxyimino)pyrrolidine-2R-carboxamide
D-Para-Chlorophenyl-1-Acteamidoboronic Acid Alanine
[(1R)-1-acetamido-2-(4-chlorophenyl)ethyl]-[(2S)-2-amino-3-hydroxy-3-oxo-propoxy]-dihydroxy-boron
Vonoprazan
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor
2-[(2-Acetyl-5-tert-butylthiophen-3-yl)carbamoyl]benzoic acid
4-(4-chlorophenyl)-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]thiophene-2-carboxamide
1-{[(2R,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazol-3-ol
[6-Amino-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Adenosine 5-phosphoramidate(1-)
Conjugate base of adenosine 5-phosphoramidate; major species at pH 7.3.
Aspyridone B
2-Pyridone carrying as substituents a branched dimethylhexanoyl group, a hydroxy group and a 3,4-dihydroxyphenyl group at C-3, -4 and -5 respectively. Secondary metabolite produced by Aspergillus spp.
(4R)-2-acetyl-4-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-4-methyl-3-oxocyclohexa-1,5-dien-1-olate
(1R,2R,5S,8S,9S,10R,11R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylate
[(2R,3S,5R)-3-hydroxy-5-(6-imino-1-methylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
Oxociprofloxacin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
4-Hydroxy-6-{[(3-methylbutanoyl)oxy](phenyl)methyl}-2-oxo-1,2-dihydropyridine-3-carboxylic acid
4,5-Dimethoxy-2-[(2-phenoxypropanoyl)amino]benzoic acid
gibberellin A3(1-)
A gibberellin carboxylic acid anion obtained by deprotonation of the carboxy group of gibberellin A3. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D005875 - Gibberellins
{[5-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-methyl-furan-3-carbonyl]-amino}-acetic acid ethyl ester
5-Amino-3-(4-methoxyphenyl)-7-methyl-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid methyl ester
(5E)-5-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
N-(2-furanylmethyl)-6-(3-methoxyphenyl)-N-methyl-4-quinazolinamine
1-[4-(3-Propan-2-yloxyphenyl)-2-thiazolyl]-4-piperidinecarboxamide
1-[4-(4-Propan-2-yloxyphenyl)-2-thiazolyl]-4-piperidinecarboxamide
2-(2,3-Dimethoxyphenyl)-3-(4-methoxyphenyl)-4-thiazolidinone
2-[[(4-Acetyloxy-3-methoxyphenyl)-oxomethyl]amino]-5-hydroxybenzoic acid
3-Butyl-10-phenylpyrimido[4,5-b]quinoline-2,4-dione
N-[N-(Furan-2-carbonyl)-hydrazinocarbothioyl]-3-(4-methoxy-phenyl)-acrylamide
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-2-nitrobenzamide
3,4,5-Trimethoxybenzoic acid [(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester
[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
1-[1-(3-Fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanone
(4Z)-2-(4-methylphenyl)-4-[(1,2,4-triazol-4-ylamino)methylidene]isoquinoline-1,3-dione
N-(2-fluorophenyl)-3-[4-(2-fluorophenyl)-1-piperazinyl]propanamide
N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazinecarbothioamide
(1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol
4-[[2-(4-Ethyl-1-piperazinyl)-2-oxoethyl]thio]-1-methyl-2-quinolinone
N-(2-oxolanylmethyl)-2-(1-piperidinyl)-1,3-benzothiazole-6-carboxamide
6-[(2,4-Difluorophenyl)methyl]-2,4-dimethyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone
N-(1,3-benzodioxol-5-ylmethyl)-6-(3-furanyl)-4-quinazolinamine
3-hydroxy-2-(4-methylphenyl)-4-[(E)-1H-1,2,4-triazol-5-yliminomethyl]isoquinolin-1-one
6-[(2,5-Difluorophenyl)methyl]-2,4-dimethyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone
Methyl 2-[1-(2-methyl-1H-indol-3-yl)-2-naphthyl]hydrazinecarboxylate
2-(3-Pyridyl)-3-(4-toluenesulfonamido)propylazetidine
2-(1-Iminoethyl)-4-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-3-oxobutanenitrile
methyl 5-(4-hydroxyphenyl)-7-methyl-4-oxo-2-sulfanylidene-5,6-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate
(5E)-2-phenylimino-5-[(1-phenylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
4-Cyano-5-methyl-6-phenyl-2-(para-tolyl)perhydropyrrolo(3,4-C)pyrrole-1,3-dione (3A,4-trans-6,6A-cis)
4-Cyano-5-methyl-6-phenyl-2-(para-tolyl)perhydropyrrolo(3,4-C)pyrrole-1,3-dione (3A,4-trans-6,6A-trans)
4-Cyano-5-methyl-6-phenyl-2-(para-tolyl)perhydropyrrolo(3,4-C)pyrrole-1,3-dione (3A,4-cis-6,6A-cis)
4-Cyano-5-methyl-6-phenyl-2-(para-tolyl)perhydropyrrolo(3,4-C)pyrrole-1,3-dione (3A,4-cis-6,6A-trans)
1-Methyl-3,4-bis(methoxycarbonyl)-2-trimethylsilyl-5-phenylpyrrole
UNII:0514MAW53A
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
SCH 58261
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D020011 - Protective Agents SCH 58261 is a potent, selective and competitive antagonist of adenosine A2A receptor with an IC50 of 15 nM, and displays 323-, 53- and 100-fold more selective for A2A receptor than A1, A2B, and A3 receptors, respectively[1][2][3].
5-(Dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)-1-naphthalenesulfonamide
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003619 - Dansyl Compounds D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents BMS 182874 is an orallyactive, highly selective endothelin receptor (ETA receptor) antagonist, with IC50 value of 0.150 μM, Ki of 0.055 μM. BMS 182874 reduces the arterial pressure of Deoxycorticosterone acetate (HY-B1472) induced hypertension model in rats, and can be used for cardiovascular disease research[1].
WB-4101 HCL
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
SPF-32629B
A carboxylic ester obtained by the formal condensation of the benzylic hydroxy group of 4-hydroxy-6-[hydroxy(phenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxylic acid with 3-methylbutanoic acid. It is isolated from the culture broth of Penicillium sp. SPF-32629 and acts as an inhibitor of the enzyme chymase (EC 3.4.21.39).
thiamine(1+) monophosphate
A thiamine phosphate that is thiamin(1+) in which the hydroxy group is replaced by a phosphate group.
CGP 25454A
CGP 25454A is a selective presynaptic dopamine autoreceptor antagonist which induces the increase of dopamine and acetyl choline. CGP 25454A can be used for major depression research[1].
N-Methylnuciferine
N-Methylnuciferine, an alkaloid from Lotus Plumule, ameliorate lipopolysaccharide-induced depression-like behavior[1].
PF-06685249
PF-06685249 (PF-249) is a potent and orally active allosteric AMPK activator with an EC50 of 12 nM for recombinant AMPK α1β1γ1. PF-06685249 can be used for diabetic nephropathy research[1].
VU10010
VU10010 is a potent, highly selective and allosteric M4 mAChR potentiator with an EC50 of 400 nM. VU10010 binds to an allosteric site on M4 mAChR and increases affinity for acetylcholine and coupling to G proteins. VU10010 increases carbachol-induced depression of transmission at excitatory but not inhibitory synapses in the hippocampus[1].
Zacopride (hydrochloride)
Zacopride hydrochloride is a highly potent 5-HT3 receptor antagonist with Kis of 0.38 and 373 nM for 5-HT3 and 5-HT4 receptor, respectively. Zacopride hydrochloride is also a moderate IK1 channel agonist. Zacopride hydrochloride exerts significant antiarrhythmic and cardiac protective effects[1][2][3].
8-hydroxy-3,4-dimethoxy-17-methyl-17-azatetracyclo[8.4.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6-triene-11,12-dione
(1s,11s,13r,16s,18s)-11-ethoxy-18-methoxy-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraene
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-yl]oxy}oxane-3,4,5-triol
(1s,11s,13r,16r,18s)-11-ethoxy-18-methoxy-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraene
1-[5-(3,4-dihydroxyphenyl)-2,4-dihydroxypyridin-3-yl]-2,4-dimethylhexan-1-one
1-hydroxy-2,3,5,6-tetramethoxy-10-methylacridin-9-one
(1r,9s,10s)-3-hydroxy-4,12-dimethoxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-17-ium-17-olate
16-methoxycarbonylnaufoline
{"Ingredient_id": "HBIN001926","Ingredient_name": "16-methoxycarbonylnaufoline","Alias": "NA","Ingredient_formula": "C21H19N3O2","Ingredient_Smile": "COC(=O)C1=CN=CC2=C1C=CC3C4=C(CCN3C2)C5=CC=CC=C5N4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13869","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
19-o-methylangustoline
{"Ingredient_id": "HBIN002206","Ingredient_name": "19-o-methylangustoline","Alias": "NA","Ingredient_formula": "C21H19N3O2","Ingredient_Smile": "CC(C1=C2C=C3C4=C(CCN3C(=O)C2=CN=C1)C5=CC=CC=C5N4)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14132","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3'-o-acetylisopteleflorine
{"Ingredient_id": "HBIN009028","Ingredient_name": "3'-o-acetylisopteleflorine","Alias": "NA","Ingredient_formula": "C18H19NO6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "442","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,10b- epoxy- phenanthridine
{"Ingredient_id": "HBIN010945","Ingredient_name": "5,10b- epoxy- phenanthridine","Alias": "NA","Ingredient_formula": "C18H19NO6","Ingredient_Smile": "COC1CC2C3(C4C1O4)C(=O)CN2CC5=C(C6=C(C=C35)OCO6)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42862","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-methylpretazettine
{"Ingredient_id": "HBIN012698","Ingredient_name": "6-o-methylpretazettine","Alias": "NA","Ingredient_formula": "C19H23NO5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14679","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
