Exact Mass: 273.0749526
Exact Mass Matches: 273.0749526
Found 406 metabolites which its exact mass value is equals to given mass value 273.0749526,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
ADEFOVIR
C8H12N5O4P (273.06268819999997)
A member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens has been replaced by a 2-(6-amino-9H-purin-9-yl)ethoxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(t-butoxycarbonyloxymethyl) ester (dipivoxil ester) prodrug is used to treat chronic hepatitis B viral infection. C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent Same as: D02768
Carprofen
Carprofen is a non-steroidal anti-inflammatory drug (NSAID) that is used by veterinarians as a supportive treatment for the relief of arthritic symptoms in geriatric dogs. Carprofen was previously used in human medicine for over 10 years (1985-1995). It was generally well tolerated, with the majority of adverse effects being mild, such as gastro-intestinal pain and nausea, similar to those recorded with aspirin and other non-steroidal anti-inflammatory drugs. It is no longer marketed for human usage, after being withdrawn on commercial grounds. [Wikipedia] C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D003879 - Dermatologic Agents Carprofen is a nonsteroid anti-inflammatory agent, acts as a multi-target FAAH/COX inhibitor, with IC50s of 3.9 μM, 22.3 μM and 78.6 μM for COX-2, COX-1 and FAAH, respectively.
Tolcapone
Tolcapone is a drug that inhibits the enzyme catechol-O-methyl transferase (COMT). It is used in the treatment of Parkinsons disease as an adjunct to levodopa/carbidopa medication. It is a yellow, odorless, non-hygroscopic, crystalline compound. Tolcapone is associated with a risk of hepatotoxicity. [Wikipedia] D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D004791 - Enzyme Inhibitors > D065098 - Catechol O-Methyltransferase Inhibitors N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent
1,6-Dihydro-1-(3-methoxyphenethyl)-6-oxonicotinic acid
Ketamine hydrochloride
C13H17Cl2NO (273.06871320000005)
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics
Modafinil
C15H15NO2S (273.08234500000003)
Modafinil is a stimulant drug marketed as a wakefulness promoting agent and is one of the stimulants used in the treatment of narcolepsy. Narcolepsy is caused by dysfunction of a family of wakefulness-promoting and sleep-suppressing peptides, the orexins, whose neurons are activated by modafinil. The prexin neuron activation is associated with psychoactivation and euphoria. The exact mechanism of action is unclear, although in vitro studies have shown it to inhibit the reuptake of dopamine by binding to the dopamine reuptake pump, and lead to an increase in extracellular dopamine. Modafinil activates glutamatergic circuits while inhibiting GABA. N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BA - Centrally acting sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D064690 - Wakefulness-Promoting Agents D065693 - Cytochrome P-450 Enzyme Inducers > D065701 - Cytochrome P-450 CYP3A Inducers COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
L-Thyronine
Thyronine (T0) is a de-iodinated form of thyroxine. Thyronine are a group of metabolites derived from thyroxine and triiodothyronine via the peripheral enzymatic removal of iodines from the thyroxine nucleus. Thyronine is the thyroxine nucleus devoid of its four iodine atoms. Thyronine (T0) has been identified in human urine. In 22 normal individuals urinary thyronine concentrations were found to range between 8-25 nmol‚ÅÑ24h (PMID: 479355). Thyronine is thought to be a byproduct of thyroxine metabolism and arises through the action of thyroxine deiodinases. Iodide is actively absorbed from the bloodstream and concentrated in the thyroid follicles. (If there is a deficiency of dietary iodine, the thyroid enlarges in an attempt to trap more iodine, resulting in goitre.) Via a reaction with the enzyme thyroperoxidase, iodine is covalently bound to tyrosine residues in the thyroglobulin molecules, forming monoiodotyrosine (MIT) and diiodotyrosine (DIT). Linking two moieties of DIT produces thyroxine. Combining one particle of MIT and one particle of DIT produces triiodothyronine. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Glutaconylcarnitine
Glutaconylcarnitine is an acylcarnitine. More specifically, it is an glutaconic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Glutaconylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine glutaconylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews]. A human metabolite taken as a putative food compound of mammalian origin [HMDB]
N-Despropyl-rotigotine
N-Despropyl-rotigotine is a metabolite of rotigotine. Rotigotine (Neupro) is a non-ergoline dopamine agonist indicated for the treatment of Parkinsons disease (PD) and restless legs syndrome (RLS) in Europe and the United States. It is formulated as a once-daily transdermal patch which provides a slow and constant supply of the drug over the course of 24 hours. Like other dopamine agonists, rotigotine has been shown to possess antidepressant effects and may be useful in the treatment of depression as well. (Wikipedia)
(3E)-Glutaconylcarnitin
(3E)-Glutaconylcarnitin is an acylcarnitine. More specifically, it is an (3E)-pent-3-enedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (3E)-Glutaconylcarnitin is therefore classified as a short chain AC. As a short-chain acylcarnitine (3E)-Glutaconylcarnitin is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(2,5-Dioxopyrrolidin-1-yl) 5-(2-hydroxyethoxy)-4-oxopentanoate
C11H15NO7 (273.08484799999997)
(2,6-Dioxo-3H-purin-9-yl) pyridine-3-carboxylate
C11H7N5O4 (273.04980220000004)
Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester
Hhcfu
C11H16FN3O4 (273.11247879999996)
N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3-toluidine
Nebicapone
C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent C471 - Enzyme Inhibitor
Pomalidomide
C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent > C157388 - Immunomodulatory Imide Drug L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D006133 - Growth Substances > D006131 - Growth Inhibitors D007155 - Immunologic Factors
6-Imidazol-1-yl-7-nitro-1,4-dihydroquinoxaline-2,3-dione
C11H7N5O4 (273.04980220000004)
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D020011 - Protective Agents
indole-3-acetyl-valine
Indole-3-acetyl-valine is also known as iaa-val. Indole-3-acetyl-valine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-valine can be found in a number of food items such as avocado, cupua√ßu, green bean, and guava, which makes indole-3-acetyl-valine a potential biomarker for the consumption of these food products. Indole-3-acetyl-valine is also known as iaa-val. Indole-3-acetyl-valine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-valine can be found in a number of food items such as avocado, cupuaçu, green bean, and guava, which makes indole-3-acetyl-valine a potential biomarker for the consumption of these food products.
metazachlor OXA
A monocarboxylic acid that is oxoacetic acid substituted by a (2,6-dimethylphenyl)(1H-pyrazol-1-ylmethyl)amino group at position 2. It is metabolite of the herbicide metazachlor. CONFIDENCE standard compound; EAWAG_UCHEM_ID 706 CONFIDENCE standard compound; INTERNAL_ID 2062
Brolamfetamine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
(3R),5-dihydroxy-(4S)-methyl-3,4-dihydro-2,9,10-(2H)-1-azaanthracenetrione|laoticuzanone A
1,2-O-Isopropylidene,N,5-Di-Ac-alpha-D-Furanose-3-Amino-3-deoxyribose
(2E,4E,6E)-7-(2-thienyl)-2,4-6-heptatrienoic acid piperidide|1-[(2E,4E,6E)-1-oxo-7-(2-thienyl)heptatrienyl]piperidine|1-[(2E,4E,6E)-7-(2-thienyl)-2,4,6-heptatrienoyl]piperidine|7-(thiophene)-2E,4E,6E-heptatrienoic acid piperidide|N-piperidineotanthusic acid amide|Otanthus acid piperidide|Otanthus Maritima amide|Otanthussaeure-piperidid
3-(1-hydroxyethyl)-6-(indol-3-ylmethyl)-2,5-diketopiperazine|cyclo(L-Trp-L-Ser-)|cyclo(L-tryptophanyl-L-seryl)|cyclo-L-Trp-L-Ser
(1S,1R)-1-hydroxy-4-(2,6-dideoxy-beta-D-xylo-hexapyranosyloxy)-2-cyclopentene-1-carboxamide
Pomalidomide
C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent > C157388 - Immunomodulatory Imide Drug L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D006133 - Growth Substances > D006131 - Growth Inhibitors D007155 - Immunologic Factors
Tolcapone
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D004791 - Enzyme Inhibitors > D065098 - Catechol O-Methyltransferase Inhibitors N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent CONFIDENCE standard compound; INTERNAL_ID 273; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4727; ORIGINAL_PRECURSOR_SCAN_NO 4722 CONFIDENCE standard compound; INTERNAL_ID 273; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4810; ORIGINAL_PRECURSOR_SCAN_NO 4806 CONFIDENCE standard compound; INTERNAL_ID 273; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4841; ORIGINAL_PRECURSOR_SCAN_NO 4839 CONFIDENCE standard compound; INTERNAL_ID 273; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4812; ORIGINAL_PRECURSOR_SCAN_NO 4809 CONFIDENCE standard compound; INTERNAL_ID 273; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4900; ORIGINAL_PRECURSOR_SCAN_NO 4896 CONFIDENCE standard compound; INTERNAL_ID 273; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4752; ORIGINAL_PRECURSOR_SCAN_NO 4748
thyronine
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
5-Hydroxymethylcytidine
5-(Hydroxymethyl)cytidine is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
provigil
C15H15NO2S (273.08234500000003)
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BA - Centrally acting sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D064690 - Wakefulness-Promoting Agents D065693 - Cytochrome P-450 Enzyme Inducers > D065701 - Cytochrome P-450 CYP3A Inducers COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
5-TRIFLUOROMETHYLPYRIDINE-2-BORONIC ACID PINACOL ESTER
2-Methoxy-3-nitro-[1,1-biphenyl]-3-carboxylic acid
Ethanone,1-(2,4-dihydroxyphenyl)-2-(4-nitrophenyl)-
3-(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-5-methyl-1,2,4-oxadiazole
4-[3-(1,3-BENZODIOXOL-5-YL)-1,2,4-OXADIAZOL-5-YL]PIPERIDINE
5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-2-(TRIFLUOROMETHYL)PYRIDINE
methyl 5,5,5-trifluoro-4-(4-methylphenyl)iminopentanoate
methyl 5,5,5-trifluoro-4-(2-methylphenyl)iminopentanoate
methyl 5,5,5-trifluoro-4-(3-methylphenyl)iminopentanoate
2-(4-Amino-2-Methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
C10H9F6NO (273.05882959999997)
7-Chloro-2-[[[(1S)-2,2-dimethylcyclopropyl]carbonyl]amino]-2-heptenoic acid
6-fluoro-4-(trifluoromethyl)quinoline-2-carbohydrazide
2,4-Dichloropyridine-3-boronic acid pinacol ester
C11H14BCl2NO2 (273.04945940000005)
2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
C15H15NO2S (273.08234500000003)
(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethanamine
3-amino-3-(1,3-benzodioxol-5-yl)-2,2-dimethylpropanoic acid,hydrochloride
(Meso-1R,5S,6R)-Ethyl 3-Benzyl-2,4-Dioxo-3-Azabicyclo[3.1.0]Hexane-6-Carboxylate
(S)-MORPHOLINE-3,4-DICARBOXYLICACID4-TERT-BUTYLESTER
5-Trifluoromethylpyridine-3-boronic acid pinacol ester
1-(3-FLUOROBENZYL)-4-PIPERIDINECARBOXYLICACIDHYDROCHLORIDE
1-Benzyl-3-trifluoromethyl-pyrrolidine-3-carboxylic acid
4-(1-Piperazinyl)-1H-indole dihydrochloride
C12H17Cl2N3 (273.07994620000005)
2-[2-(2-amino-4-thiazolyl)ethyl]-1H-Isoindole-1,3(2H)-dione
6-(ALLYLOXY)-1-ETHYL-4-OXO-1,4-DIHYDROQUINOLINE-2-CARBOXYLIC ACID
3-[5-(2-METHYL-4-NITRO-PHENYL)-FURAN-2-YL]-ACRYLIC ACID
2-CYCLOHEXYL-1,3-DIOXO-2,3-DIHYDRO-1 H-ISOINDOLE-5-CARBOXYLIC ACID
5-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
trichloro(N,N-dimethyloctylamine)boron
C10H23BCl3N (273.0989038000001)
2-Trifluoromethylpyridine-4-boronic acid pinacol ester
Naphazoline nitrate
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Naphazoline (Naphthazoline) nitrate is an α-adrenergic receptor agonist. Naphazoline nitrate reduces vascular hyperpermeability and promotes vasoconstriction. Naphazoline nitrate reduces the levels of inflammatory factors (TNF-α, IL-1β and IL-6), cytokines (IFN-γ and IL-4), IgE, GMCSF, and NGF。Naphazoline nitrate can be used for non-bacterial conjunctivitis research[1][2].
4-(Aminomethyl)-4-(3,4-dichlorophenyl)cyclohexanol
C13H17Cl2NO (273.06871320000005)
1,1,1,3,3,3-HEXAFLUORO-2-(4-(METHYLAMINO)PHENYL)PROPAN-2-OL
C10H9F6NO (273.05882959999997)
7-chloro-2-ethyl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
6,7-Dimethoxy-4-(trifluoromethyl)quinolin-2(1H)-one
esketamine hydrochloride
C13H17Cl2NO (273.06871320000005)
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
METHYL3-{[2-(DIAMINOMETHYLENEAMINO)THIAZOL-4-YL]METHYLTHIO}PROPANIMIDATE
5-Nitro-2-(3-piperidinylmethoxy)pyridinehydrochloride
C11H16ClN3O3 (273.08801359999995)
2,3-dichloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
C11H14BCl2NO2 (273.04945940000005)
4-(aminomethyl)-4-(3,4-dichlorophenyl)cyclohexan-1-ol
C13H17Cl2NO (273.06871320000005)
Methoxypolyethylene glycol succinate N-hydroxysuccinimide
C11H15NO7 (273.08484799999997)
2,5-Dichloropyridine-4-boronic acid pinacol ester
C11H14BCl2NO2 (273.04945940000005)
2,5-Dichloropyridine-3-boronic acid pinacol ester
C11H14BCl2NO2 (273.04945940000005)
2,3-Dichloropyridine-4-boronic acid pinacol ester
C11H14BCl2NO2 (273.04945940000005)
2-(2-PYRIDIN-2-YL-1H-INDOL-3-YL)ETHANAMINE MONOHYDROCHLORIDE
2-(2-PYRIDIN-3-YL-1H-INDOL-3-YL)ETHANAMINE MONOHYDROCHLORIDE
2-(2-PYRIDIN-4-YL-1H-INDOL-3-YL)ETHANAMINE MONOHYDROCHLORIDE
2-(4-methoxy-N-methylsulfonylanilino)propanoic acid
2-(tert-Butyl)-3-hydroxy-4-(trifluoromethyl)isoindolin-1-one
2-(tert-Butyl)-3-hydroxy-5-(trifluoromethyl)isoindolin-1-one
3,5-Dichloro-4-pyridineboronic acid pinacol ester
C11H14BCl2NO2 (273.04945940000005)
4-[(Cyclopropylcarbonyl)amino]-2-(trifluoromethyl)benzoic acid
1-BOC-4-(METHOXYCARBONYL)PYRROLIDINE-3-CARBOXYLIC ACID
3-(4-Fluorophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazole-1-carboxamide
3-(2-PHENYL-IMIDAZOL-1-YL)-PROPYLAMINE DIHYDROCHLORIDE
C12H17Cl2N3 (273.07994620000005)
5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,hydrochloride
(S)-(-)- 6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-3- CARBOXYLIC ACID HYDROCHLORIDE
ETHYL 2-ISOPROPOXY-4-METHOXYBENZIMIDATE HYDROCHLORIDE
6-nitro-4-oxo-7-propan-2-yloxy-1H-quinoline-3-carbonitrile
1-Methyl-1-propylpyrrolidinium hexafluorophosphate
1-tert-butoxycarbonylisoquinoline-3-carboxylic acid
2-Chloro-6-(4-(3-fluorophenyl)-1H-imidazol-2-yl)pyridine
2-((5-BROMOPYRAZIN-2-YL)OXY)-N,N-DIETHYLETHANAMINE
1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl) ethanamine
2,6-Dichloropyridine-4-boronic acid, pinacol ester
C11H14BCl2NO2 (273.04945940000005)
1-(4-Trifluoromethylphenyl)piperidine-4-carboxylic acid
1-(4-FLUORO-BENZYL)-PIPERIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE
2-Pyridin-4-yl-benzo[h]chromen-4-one
D004791 - Enzyme Inhibitors > D001571 - Benzoflavones
Ethyl morpholine-2-carboxylate 2,2,2-trifluoroacetate
2-((6-Chloropyridazin-3-yl)methyl)isoindoline-1,3-dione
C13H8ClN3O2 (273.03050179999997)
ethyl prop-2-enoate,N-(hydroxymethyl)prop-2-enamide,prop-2-enoic acid
tert-butyl N-[2-(2,4-difluorophenyl)-2-hydroxyethyl]carbamate
(3-(N-isopropylsulfamoyl)-4-Methoxyphenyl)boronic acid
C10H16BNO5S (273.08421960000004)
5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
(-)-n,n-dimethylephedrinium bromide
C12H20BrNO (273.07281700000004)
2-(4-AMINO-3-METHYLPHENYL)HEXAFLUOROISOPROPANOL
C10H9F6NO (273.05882959999997)
Methyl 2-amino-5-(3-chloropropoxy)-4-methoxybenzoate
6-(5-Chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)nicotinic acid
C13H8ClN3O2 (273.03050179999997)
2-(tert-Butyl)-3-hydroxy-6-(trifluoromethyl)isoindolin-1-one
(R)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethanamine
2-[(5-METHYLTHIENO[2,3-D]PYRIMIDIN-4-YL)THIO]ANILINE
2,6-Dichloropyridine-3-boronic acid pinacol ester
C11H14BCl2NO2 (273.04945940000005)
2-(2-Chlorophenyl)-1-[4-(dimethylamino)phenyl]ethanone
3-Amino-6-(4-methylphenyl)pyrazinecarboxylicacidethylester-4-oxide
2-(Benzofuran-2-yl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione,2-Benzofuranboronic acid MIDA ester
2-(2-Amino-4-Methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
C10H9F6NO (273.05882959999997)
armodafinil
C15H15NO2S (273.08234500000003)
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BA - Centrally acting sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D064690 - Wakefulness-Promoting Agents D065693 - Cytochrome P-450 Enzyme Inducers > D065701 - Cytochrome P-450 CYP3A Inducers C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
6-[N-(2-chloropyrimidin-4-yl)amino]-2,3-dimethyl-2H-indazole
2-[(2-Aminothiazol-4-yl)carboxymethyleneaminooxy]-2-methylpropionic acid
C9H11N3O5S (273.04193960000003)
1-Benzyl-4-trifluoromethyl-pyrrolidine-3-carboxylic acid
(4-METHYL-2-[3-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-5-YL)METHANOL
Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-benzyl ester (7CI)
(Z)-2-(2-Aminothiazol-4-yl)-2-(1-carboxy-1-methyl)ethoxyiminoacetic acid
C9H11N3O5S (273.04193960000003)
2-(TERT-BUTYL)-7-HYDRAZINO-5-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE
C11H14F3N5 (273.12012400000003)
5-(Hydroxymethyl)-4-methyl-2-(4-trifluoromethylphenyl)thiazole
(4-boronophenyl)methyl-trimethylazanium,bromide
C10H17BBrNO2 (273.05356320000004)
2-(1,3-Benzodioxol-5-yl)-6-chloroimidazo[1,2-b]pyridazine
C13H8ClN3O2 (273.03050179999997)
(R)-(+)-alpha-[(3-Methoxy-1-methyl-3-oxo-1-propenyl)amino]-1,4-cyclohexadiene-1-acetic acid sodium salt
4-METHYL-N-(4-METHYL-BENZYLIDENE)BENZENESULFONAMIDE
C15H15NO2S (273.08234500000003)
(3-(BENZYLCARBAMOYL)-4-FLUOROPHENYL)BORONIC ACID
C14H13BFNO3 (273.09724700000004)
(3aS,5R,6S,6aS)-[6-hydroxy-2,2-dimethyltetrahydrofuro[3,2-d][1,3]dioxol-5-yl]-(morpholino)methanone
6-(trifluoromethyl)pyridine-2-boronic acid pinacol ester
1,6-Dihydro-4-hydroxy-2-methyl-6-oxo-1-phenyl-3-pyridinecarboxylic acid ethyl ester
[2-(3,4-DIFLUOROPHENYL)-2-HYDROXYETHYL]-CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER
2-(tert-Butylamino)-3,4-chloropropiophenone hydrochloride
C13H17Cl2NO (273.06871320000005)
2-propenoic acid, 3-[2-[(3,5-dimethyl-4-isoxazolyl)methoxy
(S)-6,7 DIMETHOXY 1,2,3,4 TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLOIC ACID HYDROCHLORIDE
4-(6-Chloro-2-Methylsulfanyl-pyriMidin-4-ylaMino)-cyclohexanol
[1-(2,6-Dichloro-benzyl)-piperidin-2-yl]-methanol
C13H17Cl2NO (273.06871320000005)
(2-{[1-Ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methoxy}ethyl)amine hydrochloride
1-(4-METHOXY-2-NITROPHENYL)PIPERAZINE HYDROCHLORIDE
C11H16ClN3O3 (273.08801359999995)
Viloxazine hydrochloride
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C185721 - Norepinephrine Reuptake Inhibitor D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators
2-(2-amino-5-methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
C10H9F6NO (273.05882959999997)
1-(1-methylpyrazol-4-yl)sulfonylpiperidine-4-carboxylic acid
3-(1,2,3,4-TETRAHYDROQUINOLIN-2-YL)-2-(TRIFLUOROMETHYL) PROPIONIC ACID
2-((3-CHLOROPYRAZIN-2-YL)METHYL)ISOINDOLINE-1,3-DIONE
C13H8ClN3O2 (273.03050179999997)
D-ASPARTIC ACID, N-[(1,1-DIMETHYLETHOXY)CARBONYL]-, 4-(2-PROPENYL) ESTER
4-[2-(Methyl-2-pyridinyl)amino]ethoxyl nitrobenzene
{[5-(CYCLOHEXYLAMINO)-1,3,4-THIADIAZOL-2-YL]THIO}ACETIC ACID
1-[(tert-butoxy)carbonyl]-3-(ethoxycarbonyl)azetidine-3-carboxylic acid
N-(2-aminopyrimidin-5-yl)-2-methyl-5-nitrobenzamide
1-[3-amino-5-[4-(tert-butyl)phenyl]-2-thienyl]ethan-1-one
2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carbaldehyde
(5-(Benzylcarbamoyl)-2-fluorophenyl)boronic acid
C14H13BFNO3 (273.09724700000004)
(4-(Benzylcarbamoyl)-3-fluorophenyl)boronic acid
C14H13BFNO3 (273.09724700000004)
(3-(Benzylcarbamoyl)-5-fluorophenyl)boronic acid
C14H13BFNO3 (273.09724700000004)
4,7-Methano-1H-(1,2)diazeto(3,4-f)benzotriazole, 1-(4-chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-
Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, methyl ester
D000970 - Antineoplastic Agents > D020032 - Tyrphostins
3,5-dichloro-N-(2-methyl-3-oxobutan-2-yl)benzamide
2-[(2,4-Dichlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
4-(5-Methoxy-1,2-dimethyl-1h-indol-3-yl)thiazol-2-ylamine
2-(2,5-Dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one
(R)-Carprofen
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide
BENZOIC ACID, p-((2,4,6-TRIAMINO-5-PYRIMIDINYL)AZO)-
C11H11N7O2 (273.09741859999997)
4-phenyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
(E)-1-(4-methylphenyl)-3-quinolin-6-ylprop-2-en-1-one
N4-(1,1-dioxo-3-thiolanyl)-5-nitropyrimidine-4,6-diamine
2-[(4-Chloro-2-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine
3-(4-chlorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
2-(4-Chlorophenoxy)-4-(dimethylamino)-3-pyridinecarbonitrile
2-methoxy-N-[2-(methylthio)phenyl]benzamide
C15H15NO2S (273.08234500000003)
N-[4-(2-pyridinyl)-2-thiazolyl]cyclopentanecarboxamide
1-[2-(3-Methoxyphenyl)ethyl]-6-oxo-1,6-dihydropyridine-3-carboxylic acid
2-[4-(aminomethyl)phenyl]-3,5,7,8-tetrahydro-4H-thiino[4,3-d]pyrimidin-4-one
N-{[(2s,3s)-3-(Ethoxycarbonyl)oxiran-2-Yl]carbonyl}-L-Isoleucine
2-amino-7-fluoro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide
5-Acetamido-5,6-Dihydro-4-Hydroxy-6-Isobutoxy-4h-Pyran-2-Carboxylic Acid
(2S)-2-azaniumyl-3-[4-(4-hydroxyphenoxy)phenyl]propanoate
N(2)-(3-carboxylatopropionyl)-L-arginine(1-)
An N-acyl-L-alpha-amino acid anion that is the conjugate base of N(2)-succinyl-L-arginine, arising from deprotonation of the carboxy groups and protonation of the amino group; major species at pH 7.3.
Methylglutaconyl hydroxy ornithine
C11H17N2O6- (273.10865620000004)
Ketalar
C13H17Cl2NO (273.06871320000005)
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
2-Methyl-5-[(2-methyl-4-quinolinyl)thio]-1,3,4-thiadiazole
2-[[1-(4-Ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]amino]acetonitrile
N-(4-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
C13H8FN3OS (273.03720899999996)
N-(4-methoxyphenyl)-2-(methylthio)benzamide
C15H15NO2S (273.08234500000003)
1-(4-Methoxyphenyl)-3-(6-methyl-2-pyridinyl)thiourea
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-pyrazolecarboxamide
(4-Amino-3-ethyl-2-sulfanylidene-5-thiazolyl)-(4-morpholinyl)methanone
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-3-furamide
4-[(2-Methoxy-1-naphthalenyl)methyl]thiomorpholine
2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]pyrazole-3-carboxamide
N-(5-fluoro-2-methylphenyl)-1,3-benzodioxole-5-carboxamide
N-[(3-methyl-6-imidazo[2,1-b]thiazolyl)methyl]-1-propanesulfonamide
2-(2,4-Dimethylphenyl)-6-fluoro-1,2-benzothiazol-3-one
O-glutaconyl-L-carnitine
An O-acyl-L-carnitine where the acyl group specified is glutaconyl.
4-[[2-Furanyl(oxo)methyl]amino]benzoic acid propan-2-yl ester
N-(1-benzothiophen-7-ylmethyl)-2-thiophenecarboxamide
N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]cyclopropanecarboxamide
3-[1-(Carboxymethyl)-5-phenyl-2-pyrrolyl]propanoic acid
5-ethyl-3-(5-oxo-2-sulfanylidene-4-imidazolidinylidene)-1H-indol-2-one
4-(2,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
methyl (4Z)-4-(furan-2-ylmethylidene)-2-methyl-5-oxo-1-prop-2-enylpyrrole-3-carboxylate
3-(1,3-Benzoxazol-2-ylsulanyl)-5,5-dimethylcyclohex-2-en-1-one
C15H15NO2S (273.08234500000003)
2-(4-chlorophenyl)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
2,4,7,9-tetrahydroxy-6-methyl-1-oxo-1H-phenalen-3-olate
O-glutaconylcarnitine
An O-acylcarnitine in which the acyl group specified is glutaconyl.
[(2S)-2,3-dihydroxypropyl] [(2S)-3-formyloxy-2-hydroxypropyl] phosphate
2-(N-Benzyloxycarbonyl-N-methylamino)ethylphosphonic acid
(E)-3-(Ethoxycarbonylmethylene)-1-para-tolyl-2,5-pyrrolidinedione
carprofen
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D003879 - Dermatologic Agents Carprofen is a nonsteroid anti-inflammatory agent, acts as a multi-target FAAH/COX inhibitor, with IC50s of 3.9 μM, 22.3 μM and 78.6 μM for COX-2, COX-1 and FAAH, respectively.
RH-24580
A methyl ketone resulting from the formal hydration of the ethynyl group of the herbicide propyzamide. It is a major soil metabolite of propyzamide.
GABAA receptor agent 1
C13H8ClN3O2 (273.03050179999997)
GABAA receptor agent 1 is a high affinity ligand for GABAA receptor, with potent anticonvulsant activity[1].
SIB-1553A
SIB-1553A is an orally bioavailable nicotinic acetylcholine receptors (nAChRs) agonist, with selectivity for β4 subunit-containing nAChRs. SIB-1553A is also a selective neuronal nAChR ligand. SIB-1553A is a cognitive enhancer, and has therapeutic potential for the symptomatic treatment of Alzheimer’s disease and other cognitive disorders[1][2].
9-methoxy-2,2-dimethylpyrano[3,2-c]quinoline-5,7-diol
8,10-dimethoxy-4,12,14-trioxa-2-azatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1(16),2,5,7,9,11(15)-hexaene
4-hydroxy-2-{[hydroxy(2-hydroxyphenyl)methylidene]amino}benzoic acid
16-methoxy-2-methyl-4,12,14-trioxa-2-azatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1(16),3(7),5,9,11(15)-pentaen-8-one
2-benzamidobenzoic acid; 2',4-dihydroxy
{"Ingredient_id": "HBIN005343","Ingredient_name": "2-benzamidobenzoic acid; 2',4-dihydroxy","Alias": "NA","Ingredient_formula": "C14H11NO5","Ingredient_Smile": "NA","Ingredient_weight": "273.24","OB_score": "NA","CAS_id": "115610-40-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8694","PubChem_id": "NA","DrugBank_id": "NA"}