Exact Mass: 357.0825
Exact Mass Matches: 357.0825
Found 297 metabolites which its exact mass value is equals to given mass value 357.0825,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Indomethacin
Indomethacin is a non-steroidal antiinflammatory agent (NSAIA) with antiinflammatory, analgesic and antipyretic activity. Its pharmacological effect is thought to be mediated through inhibition of the enzyme cyclooxygenase (COX), the enzyme responsible for catalyzes the rate-limiting step in prostaglandin synthesis via the arachidonic acid pathway. CONFIDENCE standard compound; INTERNAL_ID 1033; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9631; ORIGINAL_PRECURSOR_SCAN_NO 9627 CONFIDENCE standard compound; INTERNAL_ID 1033; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9618; ORIGINAL_PRECURSOR_SCAN_NO 9614 CONFIDENCE standard compound; INTERNAL_ID 1033; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9602; ORIGINAL_PRECURSOR_SCAN_NO 9599 CONFIDENCE standard compound; INTERNAL_ID 1033; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9606; ORIGINAL_PRECURSOR_SCAN_NO 9605 CONFIDENCE standard compound; INTERNAL_ID 1033; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9610; ORIGINAL_PRECURSOR_SCAN_NO 9609 CONFIDENCE standard compound; INTERNAL_ID 1033; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9598; ORIGINAL_PRECURSOR_SCAN_NO 9596 M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018501 - Antirheumatic Agents > D006074 - Gout Suppressants C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor C - Cardiovascular system > C01 - Cardiac therapy CONFIDENCE standard compound; EAWAG_UCHEM_ID 207 CONFIDENCE standard compound; INTERNAL_ID 2714 CONFIDENCE standard compound; INTERNAL_ID 8611 D000893 - Anti-Inflammatory Agents D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
TOLRESTAT
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10X - Other drugs used in diabetes > A10XA - Aldose reductase inhibitors C471 - Enzyme Inhibitor > C72880 - Aldose Reductase Inhibitor D004791 - Enzyme Inhibitors
Deacetoxycephalosporin C
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
cyclo-dopa 5-O-glucoside
Cyclo-dopa 5-o-glucoside, also known as leucodopachrome 5-beta-D-glucoside, is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Cyclo-dopa 5-o-glucoside is soluble (in water) and a moderately acidic compound (based on its pKa). Cyclo-dopa 5-o-glucoside can be found in a number of food items such as almond, gooseberry, apricot, and pepper (c. pubescens), which makes cyclo-dopa 5-o-glucoside a potential biomarker for the consumption of these food products.
deoxyviolaceinic acid
A pyrrolecarboxylic acid that is pyrrole-2-carboxylic acid which is substituted at position 3 by a 3-hydroxyindol-3-yl group at at position 5 by an indol-3-yl group.
Rosiglitazone
Rosiglitazone is an anti-diabetic drug from the thiazolidinedione class. Like other thiazolidinediones, its mechanism of action is by activation of the intracellular receptor class of the peroxisome proliferator-activated receptors (PPARs), specifically PPAR-gamma. Rosiglitazone is a pure ligand of PPAR-gamma, and has no PPAR-alpha-binding action. Apart from its effect on insulin resistance, it appears to have an anti-inflammatory effect: nuclear factor kappa-B (NFκB) levels fall and inhibitor (IκB) levels increase in patients on rosiglitazone (Mohanty et al). It increases glyceroneogenesis and reduces the release of free fatty acids from adipocytes; Rosiglitazone is an anti-diabetic drug from the thiazolidinedione class. It is being marketed as Avandia by the pharmaceutical company GlaxoSmithKline, both as a standalone preparation and in combination with metformin (Avandamet). Another combination drug approved by the FDA is Avandaryl (with glimepiride); Like other thiazolidinediones, its mechanism of action is by activation of the intracellular receptor class of the peroxisome proliferator-activated receptors (PPARs), specifically PPAR-gamma. Rosiglitazone is a pure ligand of PPAR-gamma, and has no PPAR-alpha binding action. Apart from its effect on insulin resistance, it appears to have an anti-inflammatory effect: nuclear factor kappa-B (NFkB) levels fall and inhibitor (IkB) levels increase in patients on rosiglitazone (Mohanty et al). It increases glyceroneogenesis and reduces the release of free fatty acids from adipocytes . [HMDB] Rosiglitazone is an anti-diabetic drug from the thiazolidinedione class. Like other thiazolidinediones, its mechanism of action is by activation of the intracellular receptor class of the peroxisome proliferator-activated receptors (PPARs), specifically PPAR-gamma. Rosiglitazone is a pure ligand of PPAR-gamma, and has no PPAR-alpha-binding action. Apart from its effect on insulin resistance, it appears to have an anti-inflammatory effect: nuclear factor kappa-B (NFκB) levels fall and inhibitor (IκB) levels increase in patients on rosiglitazone (Mohanty et al). It increases glyceroneogenesis and reduces the release of free fatty acids from adipocytes; Rosiglitazone is an anti-diabetic drug from the thiazolidinedione class. It is being marketed as Avandia by the pharmaceutical company GlaxoSmithKline, both as a standalone preparation and in combination with metformin (Avandamet). Another combination drug approved by the FDA is Avandaryl (with glimepiride); Like other thiazolidinediones, its mechanism of action is by activation of the intracellular receptor class of the peroxisome proliferator-activated receptors (PPARs), specifically PPAR-gamma. Rosiglitazone is a pure ligand of PPAR-gamma, and has no PPAR-alpha binding action. Apart from its effect on insulin resistance, it appears to have an anti-inflammatory effect: nuclear factor kappa-B (NFkB) levels fall and inhibitor (IkB) levels increase in patients on rosiglitazone (Mohanty et al). It increases glyceroneogenesis and reduces the release of free fatty acids from adipocytes. A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BG - Thiazolidinediones C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer D007004 - Hypoglycemic Agents Rosiglitazone (BRL 49653) is an orally active selective PPARγ agonist (EC50: 60 nM, Kd: 40 nM). Rosiglitazone is an TRPC5 activator (EC50: 30 μM) and TRPM3 inhibitor. Rosiglitazone can be used in the research of obesity and diabetes, senescence, ovarian cancer[1][2][4][7].
HMBOA-Glc
Constituent of the roots of Coix lachryma-jobi (Jobs tears). (R)-2-Hydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside is found in many foods, some of which are coffee and coffee products, corn, alcoholic beverages, and tea. HMBOA-Glc is found in alcoholic beverages. HMBOA-Glc is a constituent of the roots of Coix lachryma-jobi (Jobs tears).
Cyclodopa glucoside
Cyclodopa glucoside is found in brassicas. Cyclodopa glucoside occurs in red beet cabbage juic
Gravacridonetriol
Gravacridonetriol is found in herbs and spices. Gravacridonetriol is an alkaloid from Ruta graveolens (rue
Niazimicin
Niazimicin is a glucosinolate and a naturally occurring thiocarbamate. It has been isolated from the leaves of Moringa oleifera (horseradish tree). It is found in fats and oils, herbs and spices, and green vegetables. The trans and cis rotamers of niazimicin (niazimicin A and niazimicin B, respectively) differ in the orientation of the NH group with respect to sulfur. Constituent of Moringa oleifera (horseradish tree) (Moringaceae). Niazimicin A is found in fats and oils, herbs and spices, and green vegetables.
Balsalazide
Balsalazide is an anti-inflammatory drug used in the treatment of Inflammatory Bowel Disease. It is sold under the name Colazal in the US and Colazide in the UK. The chemical name is (E)-5-[[-4-(2-carboxyethyl) aminocarbonyl] phenyl]azo] -2-hydroxybenzoic acid. It is usually administered as the disodium salt. Balsalazide releases mesalazine, also known as 5-aminosalicylic acid, or 5-ASA, in the large intestine. Its advantage over that drug in the treatment of Ulcerative colitis is believed to be the delivery of the active agent past the small intestine to the large intestine, the active site of ulcerative colitis. A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EC - Aminosalicylic acid and similar agents D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates 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 D005765 - Gastrointestinal Agents D018501 - Antirheumatic Agents
Cinolazepam
Cinolazepam is only found in individuals that have used or taken this drug. It is a benzodiazepine derivative. It possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. Cinolazepam is not approved for sale in the United States or Canada.Cinolazepam binds to central benzodiazepine receptors which interact allosterically with GABA receptors. This potentiates the effects of the inhibitory neurotransmitter GABA, increasing the inhibition of the ascending reticular activating system and blocking the cortical and limbic arousal that occurs following stimulation of the reticular pathways. N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Haloperidol 1,2,3,6-tetrahydropyridine
Haloperidol 1,2,3,6-tetrahydropyridine is a metabolite of haloperidol. Haloperidol is a typical antipsychotic. It is in the butyrophenone class of antipsychotic medications and has pharmacological effects similar to the phenothiazines. Haloperidol is an older antipsychotic used in the treatment of schizophrenia and acute psychotic states and delirium. (Wikipedia)
2-Methoxyacetaminophen glucuronide
2-Methoxyacetaminophen glucuronide is classified as a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. 2-Methoxyacetaminophen glucuronide is considered to be soluble (in water) and a moderately acidic compound.
2,4-Dihydroxy-1,4-benzoxazin-3-one glucuronide
[3H]Rosiglitazone
2-(Bis(2-(2,6-dioxomorpholino)ethyl)amino)acetic acid
Bendamustine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AA - Nitrogen mustard analogues D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents
Droxicam
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AC - Oxicams 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
Desmethyltetrahydropiperine sulfate
Chileninone
Berberrubine is an alkaloid. Berberrubine chloride is an active metabolite of berberine, attenuates ulcerative colitis in mice model[1]. Berberrubine chloride is an active metabolite of berberine, attenuates ulcerative colitis in mice model[1].
O1-[(3,5-Dimethyl-4-isoxazolyl)carbonyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanehydroximamide
N1-(4-Chlorophenyl)-2-{amino[5-(trifluoromethyl)-2-pyridyl]methylidene}hydrazine-1-carboxamide
({[Benzyl(2-cyanoethyl)amino]carbonyl}amino)(4-methylphenyl)dioxo-λ6-sulfane
BALSALAZIDE
A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EC - Aminosalicylic acid and similar agents D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates 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 D005765 - Gastrointestinal Agents D018501 - Antirheumatic Agents
PRP_M358a
CONFIDENCE Transformation product, tentative ID (Level 3 structure); INTERNAL_ID 2401
8-O-beta-D-glucopyranoside of 8-hydroxy-2-quinolone-4-carboxylic acid
1,3-Dihydroxy-4-[2-[2-(hydroxymethyl)oxiranyl]-2-hydroxyethyl]-10-methylacridine-9(10H)-one
(-)-8-oxopolyalthiaine|2,8,10-trihydroxy-3,9-dimethoxy-5,6,12,12a(S),6a-pentahydroisoquinolino-(2,1-b)-isoquinolin-7-one
A-803467
A-803467 is a potent and selective tetrodotoxin-resistant Nav1.8 sodium channel blocker (IC50=8 nM). A-803467 has shown significant anti-nociception in neuropathic and inflammatory pain models. A-803467 enhances the chemosensitivity of conventional anticancer agents through interaction with the ATP-binding cassette subfamily G member 2 (ABCG2) transporter[1][2].
Chileninone
Berberrubine is an alkaloid. Berberrubine chloride is an active metabolite of berberine, attenuates ulcerative colitis in mice model[1]. Berberrubine chloride is an active metabolite of berberine, attenuates ulcerative colitis in mice model[1].
Aristolochic acid Va
aristolochic D
Aristolochic acid D is an aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions, by an hydroxy group at position 6, by a methoxy group at position 8, and by a nitro group at position 10. It has a role as a carcinogenic agent, a metabolite, a nephrotoxin and a toxin. It is a C-nitro compound, a member of aristolochic acids, an aromatic ether, a cyclic acetal, a monocarboxylic acid and an organic heterotetracyclic compound. Aristolochic acid d is a natural product found in Aristolochia kaempferi, Aristolochia mollissima, and Aristolochia heterophylla with data available. An aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions, by an hydroxy group at position 6, by a methoxy group at position 8, and by a nitro group at position 10.
7-Hydroxyaristolochate A
thalifendine
Indometacin
A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis. M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BC - Antiinflammatory agents, non-steroids D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018501 - Antirheumatic Agents > D006074 - Gout Suppressants C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor C - Cardiovascular system > C01 - Cardiac therapy D000893 - Anti-Inflammatory Agents D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
rosiglitazone
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BG - Thiazolidinediones C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer D007004 - Hypoglycemic Agents Rosiglitazone (BRL 49653) is an orally active selective PPARγ agonist (EC50: 60 nM, Kd: 40 nM). Rosiglitazone is an TRPC5 activator (EC50: 30 μM) and TRPM3 inhibitor. Rosiglitazone can be used in the research of obesity and diabetes, senescence, ovarian cancer[1][2][4][7].
PRP_M358b
CONFIDENCE Transformation product, tentative ID (Level 3 structure); INTERNAL_ID 2402
C15H19NO9_2H-1,4-Benzoxazin-3(4H)-one, 2-(beta-D-glucopyranosyloxy)-7-methoxy-, (2R)
Bendamustine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AA - Nitrogen mustard analogues D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents
Cinolazepam
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Gravacridonetriol
Cyclodopa glucoside
Isradipine Metabolite (2,1,3-Benzoxadiazole, 3,5-pyridinedicarboxylic acid deriv.)
6-Chloro-2-(2-methyl-2-propanyl)-7-(1-piperazinylsulfonyl)-1,3-be nzoxazole
4-(5-Bromopyrimidin-2-yloxy)piperidine-1-carboxylic acid tert-butyl
(2-TRIMETHYLSTANNANYL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER
2-N-BOC-2-AMINOMETHYL-3-(4-BROMO-PHENYL)-PROPIONIC ACID
Etibendazole
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
Clometacin
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
(2S)-3-amino-4-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
2-N-BOC-2-AMINOMETHYL-3-(3-BROMO-PHENYL)-PROPIONIC ACID
Etersalate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Pyrido[2,3-b][1,6]naphthyridine, 6,7,8,9-tetrahydro-7-[3-(trifluoromethyl)benzoyl]- (9CI)
3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]benzoic acid
2,2,2-Trifluoro-1-(4-methylphenyl)-O-[(4-methylphenyl)sulfonyl]oxime ethanone
10-(2-chloroethyl)-6-piperazin-1-ylbenzo[b][1,4]benzothiazepine
(R)-6-Benzyloxymethyl-4-methyl-5,6-dihydro-pyran-2-one
N-ACETYL-3-METHYLENE-4-(1H,1H-NONAFLUOROPENTYL)PYRROLIDINE
2-BROMO-4-(3,6,6-TRIMETHYL-4-OXO-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL)BENZONITRILE
N-(3-NITRO-2-PYRIDINESULFENYL)-L-GLUTAMIC ACID GAMMA-T-BUTYL ESTER
2-ALLYL-1-(6-(2-HYDROXYPROPAN-2-YL)PYRIDIN-2-YL)-6-(METHYLTHIO)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3(2H)-ONE
Ethyl 5-hydroxy-2-(methylthio)-7-oxo-8-phenyl-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
TERT-BUTYL (3-BROMO-5-(TERT-BUTYL)-4-METHOXYPHENYL)CARBAMATE
{[(2S,3S)-3-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-(methoxyimino)a cetyl]amino}-2-methyl-4-oxo-1-azetidinyl]oxy}acetic acid
4-hydroxy-1-isobutyl-N-(5-methyl-1,3-thiazol-2-yl)-2-oxoquinoline-3-carboxamide
methyl (2S)-(tert-butoxycarbonylamino)-5-iodopentanoate
1,3,5-Triazine,2-chloro-4-(1-dibenzofuranyl)-6-phenyl-
2-Chloro-4-(4-dibenzofuranyl)-6-phenyl-1,3,5-triazine
N,N-Bis(2,3-dihydroxypropyl)-5-nitro-1,3-benzenedicarboxamide
3-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]propiononitrile
8-BOC-3-(TRIFLUOROMETHYLSULFONYLOXY)-8-AZABICYCLO[3.2.1]OCT-3-ENE
N-(6-Amino-5-(2-chloro-5-methoxyphenyl)pyridin-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
2-Biphenyl-4-yl-6-fluoro-3-methyl-quinoline-4-carboxylic acid
Clopidogrel hydrochloride
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent > C190801 - P2Y12 Inhibitor D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors
Piperidine, 4-(2-((2,4,6-trifluorophenoxy)methyl)phenyl)-, hydrochloride (1:1)
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
4-(4-(4-Chlorophenyl)-3,6-dihydro-1(2H)-pyridinyl)-1-(4-fluorophenyl)-1-butanone
4-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
4-[[2-(Phenylmethyl)-1-benzimidazolyl]sulfonyl]morpholine
3-[[2-(4-Fluorophenoxy)-1-oxoethyl]amino]-2-benzofurancarboxylic acid ethyl ester
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-thiophenecarboxamide
N-(4-chloro-3-methoxy-phenyl)-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide
2-(2,4-Dichlorophenyl)-alpha-methyl-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolane-4-ethanol
9-Hydroxy-8-methoxy-6-nitro-phenanthrol[3,4-D][1,3]dioxole-5-carboxylic acid
3-{[4-([Amino(imino)methyl]aminosulfonyl)anilino]methylene}-2-oxo-2,3-dihydro-1H-indole
(3R)-3-[3,5-Bis(trifluoromethyl)anilino]-2-cyano-3-sulfanylpropanamide
Droxicam
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AC - Oxicams 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
Ethyl 5-[2-(mesitylamino)-1,3-thiazol-4-yl]isoxazole-3-carboxylate
Cellobionate
A carbohydrate acid anion that is the conjugate base of cellobionic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
7-Hydroxy-8,12-dihydro-1H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-1,3,10(2H,9H)-trione
(Z,4E)-4-[cyano-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylidene]hex-2-enedioic acid
(7R)-7-[[(5R)-5-amino-5-carboxypentanoyl]amino]-3-methylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid
2-Methoxyacetaminophen glucuronide
A beta-D-glucosiduronic acid that is 2-methoxyacetaminophen in which the phenolic hydrogen is replaced by a beta-D-glucuronosyl group.
(S)-methyl 4-(6-benzyl-4-oxo-4H-pyran-3-carboxamido)-2-methyl-4-oxobutanoate
A natural product found in Aspeciesrgillus species.
1-(2,1,3-Benzothiadiazol-4-yl)-3-[(E)-(3,4-dimethoxyphenyl)methyleneamino]urea
N-[3-(1,3-benzothiazol-2-yl)-5-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]acetamide
1-(4-Fluorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-5,7-dihydroindole-2,4-dione
N1-(4-chloro-3-cyanophenyl)-N2-(4-methoxyphenethyl)oxalamide
6-[[2-(4-Morpholinyl)-2-oxoethyl]thio]-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
4-[5-Oxo-7-(1-piperazinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]benzoic acid
4-methoxy-N-[2-(4-morpholinyl)phenyl]-3-nitrobenzamide
1-(4-Ethoxyphenyl)-3-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)urea
(2S-3S)-versiconal hemiacetal(1-)
A phenolate anion obtained by deprotonation of the 8-hydroxy group of (2S-3S)-versiconal hemiacetal. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
4-methoxy-N-[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]benzamide
N-(4-methoxy-2-nitrophenyl)-3-[(2-methyl-1-oxopropyl)amino]benzamide
[4-(7-Chloro-4-quinolinyl)-1-piperazinyl]-thiophen-2-ylmethanone
2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]-N-(2-pyridinyl)acetamide
4-[[5-(1,3-Benzothiazol-2-yl)-2-thiophenyl]-oxomethyl]-1-piperazinecarboxaldehyde
4-(4-Methoxyanilino)-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester
1-[2-(4-Methoxyphenoxy)ethylthio]-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
2-[[4-Ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)ethanone
2-[(6-chloro-1H-benzimidazol-2-yl)thio]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
N-(1,3-benzodioxol-5-yl)-3-ethyl-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide
6-[[4-(3-methylphenyl)-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
2-(Diphenylphosphanyl)-1-(2-methoxyphenyl)-1H-pyrrole
N-[5-fluoro-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-3-yl]acetamide;hydrochloride
N-[3-[[2-furanyl(oxo)methyl]amino]phenyl]-1-isoquinolinecarboxamide
6-[(2-Fluorophenyl)methyl]-2-(1-hydroxyethyl)-4-methyl-5-thieno[3,4]pyrrolo[1,3-d]pyridazinone
4-hydroxy-1-(2-methylpropyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
2-[[[4-(2-Chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid
(4-Chlorophenyl)-[1-(4-thieno[2,3-d]pyrimidinyl)-4-piperidinyl]methanone
2-(2,4-dichlorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide
3-aminopropyl N-acetyl-6-O-sulfonato-beta-D-glucosaminide
3-aminopropyl N-acetyl-alpha-D-glucosamine-1-phosphate(1-)
4-Hydroxy-3-[(2-methoxyphenyl)diazenyl]naphthalene-1-sulfonate
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
(5Z)-1-(4-chlorophenyl)-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
2alpha-(beta-D-Glucopyranosyloxy)-7-methoxy-2H-1,4-benzooxazine-3(4H)-one
2-Amino-3-[(3-hexanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxypropanoic acid
3-[(3-Acetyloxy-2-propanoyloxypropoxy)-hydroxyphosphoryl]oxy-2-aminopropanoic acid
O-ethyl N-[[4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]methyl]carbamothioate
Tnp-Gln
An L-alpha-amino acid that is L-glutamine substituted at the alpha-nitrogen by a 2,4,6-trinitrophenyl group.
5-hydroxy-3,3,4,7-tetramethoxyflavone(1-)
A flavonoid oxoanion resulting from the deprotonation of the hydroxy group of 5-hydroxy-3,3,4,7-tetramethoxyflavone. The major species at pH 7.3.
1,4-dihydroxymidazolam
An imidazobenzodiazepine that is midazolam which is substituted by a hydroxy group at positions 2 and 4. It is the minor metabolite of the anesthetic, midazolam.
HMBOA beta-D-glucoside
A beta-D-glucoside derived from 2-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazine.
cyclodopa 5-beta-D-glucoside
An indolyl carbohydrate that is cyclodopa in which the phenolic hydrogen at position 5 has been replaced by a beta-D-glucosyl residue.
Ischemin (sodium)
Ischemin sodium is a CBP bromodomain inhibitor that inhibits p53 interaction with CBP and transcriptional activity in cells. Ischemin sodium salt inhibits p53-induced p21 activation with an IC50 value of 5 μM. Ischemin sodium salt also prevents apoptosis in ischemic cardiomyocytes. Ischemin sodium salt can be used in the study of cardiovascular diseases (such as myocardial ischemia)[1].
SR 16832
SR 16832 is a dual site covalent PPARγ inhibitor that acts at orthosteric and allosteric sites[1].
VU6005649
VU6005649 is a CNS penetrant mGlu7/8 receptor agonist with EC50s of 0.65 μM and 2.6 μM for mGlu7 receptor and mGlu8 receptor, respectively.
2,4,11-trihydroxy-3,10-dimethoxy-7,8,12b,13-tetrahydro-6-azatetraphen-5-one
methyl 6-hydroxy-3,4-dimethoxy-10-nitrophenanthrene-1-carboxylate
6-[9-(3-chloro-1h-pyrrol-2-yl)nona-2,4,6,8-tetraen-2-yl]-4-methoxy-3-methylpyran-2-one
methyl 3,5-dimethoxy-2-{4-oxo-6-[(1e)-prop-1-en-1-yl]-1h-pyridine-3-carbonyl}benzoate
2-methoxy-3,5-dimethyl-6-[(2r,4z)-4-[(4-nitrophenyl)methylidene]oxolan-2-yl]pyran-4-one
(6r,7r)-7-{[(5r)-5-amino-5-carboxy-1-hydroxypentylidene]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
9-hydroxy-8-methoxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid
3,11-dihydroxy-16-oxa-4,14,22-triazahexacyclo[15.6.1.0²,⁶.0⁷,¹⁵.0⁸,¹³.0²¹,²⁴]tetracosa-1(23),2,6,8(13),9,11,14,17,19,21(24)-decaen-5-one
14-methoxy-3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaene-7,12-diol
3-{7-methoxy-9h-pyrido[3,4-b]indole-1-carbonyl}-1h-indol-2-ol
ethyl 1-sulfanyl-n-({4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}methyl)methanimidate
8-hydroxy-7-methoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid
{"Ingredient_id": "HBIN013770","Ingredient_name": "8-hydroxy-7-methoxy-3,4-methylenedioxy-10-nitro-1-phenanthrenecarboxylic acid","Alias": "NA","Ingredient_formula": "C17H11NO8","Ingredient_Smile": "NA","Ingredient_weight": "357.27","OB_score": "NA","CAS_id": "107259-48-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7350","PubChem_id": "NA","DrugBank_id": "NA"}
aristolochicacid e
{"Ingredient_id": "HBIN016805","Ingredient_name": "aristolochicacid e","Alias": "NA","Ingredient_formula": "C17H11NO8","Ingredient_Smile": "COC1=C(C2=CC(=C3C(=CC4=C(C3=C2C=C1)OCO4)C(=O)O)[N+](=O)[O-])O","Ingredient_weight": "357.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1715","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "147113","DrugBank_id": "NA"}
