Exact Mass: 259.1296
Exact Mass Matches: 259.1296
Found 500 metabolites which its exact mass value is equals to given mass value 259.1296,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Propranolol
Propranolol is a widely used non-cardioselective beta-adrenergic antagonist. Propranolol is used in the treatment or prevention of many disorders including acute myocardial infarction, arrhythmias, angina pectoris, hypertension, hypertensive emergencies, hyperthyroidism, migraine, pheochromocytoma, menopause, and anxiety. --PubChem; Propranolol is a highly lipophilic drug achieving high concentrations in the brain. The duration of action of a single oral dose is longer than the half-life indicates and may be up to 12 hours, if the single dose is high enough (e.g. 80 mg). Effective plasma concentrations are between 10-100 ng/mL. -- Wikipedia; It was the first successful beta blocker developed. Propranolol is commonly marketed by Wyeth under the trade name Inderal. A widely used non-cardioselective beta-adrenergic antagonist. Propranolol is used in the treatment or prevention of many disorders including acute myocardial infarction, arrhythmias, angina pectoris, hypertension, hypertensive emergencies, hyperthyroidism, migraine, pheochromocytoma, menopause, and anxiety. --PubChem; Propranolol is a highly lipophilic drug achieving high concentrations in the brain. The duration of action of a single oral dose is longer than the half-life indicates and may be up to 12 hours, if the single dose is high enough (e.g. 80 mg). Effective plasma concentrations are between 10-100 ng/mL. -- Wikipedia; It was the first successful beta blocker developed. Propranolol is commonly marketed by Wyeth under the trade name Inderal. [HMDB] C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 171 KEIO_ID P192; [MS2] KO009171 KEIO_ID P192 Propranolol is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol is used for the study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3]. Propranolol is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol is used for the study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3]. Propranolol is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol is used for the study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3].
HQNO
HQNO, secreted by P. aeruginosa, is a potent electron transport chain inhibitor with a Kd of 64 nM for complex III[1]. HQNO is a potent inhibitor of mitochondrial NDH-2 in many species[2]. HQNO, secreted by P. aeruginosa, is a potent electron transport chain inhibitor with a Kd of 64 nM for complex III[1]. HQNO is a potent inhibitor of mitochondrial NDH-2 in many species[2].
Linatine
Linatine is found in fats and oils. Linatine is isolated from Linum usitatissimum (flax). Isolated from Linum usitatissimum (flax). Linatine is found in tea and fats and oils.
Norbelladine
A phenethylamine alkaloid that is tyramine in which one of the amino hydrogens has been replaced by a 3,4-dihydroxybenzyl group.
Norbutorphanol
Norbutorphanol belongs to the family of Morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic.
Isoleucyl-Glutamine
Isoleucyl-Glutamine is a dipeptide composed of isoleucine and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Osmaronin
Osmaronin is found in cereals and cereal products. Osmaronin is a constituent of the leaves of Hordeum vulgare (barley). Constituent of the leaves of Hordeum vulgare (barley). Osmaronin is found in barley and cereals and cereal products.
Norchalciporyl propionate
Norchalciporyl propionate is found in mushrooms. Norchalciporyl propionate is a pungent principle from fruit-bodies of the edible mushroom (Chalciporus piperatus
Glutaminylisoleucine
Glutaminylisoleucine is a dipeptide composed of glutamine and isoleucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Fumarycarnitine
Fumarycarnitine is an acylcarnitine. More specifically, it is an fumaric 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. Fumarycarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine fumarycarnitine 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]
Ramelteon
Ramelteon is the first in a new class of sleep agents that selectively binds to the melatonin receptors in the suprachiasmatic nucleus (SCN). It is used for insomnia, particularly delayed sleep onset. Ramelteon has not been shown to produce dependence and has shown no potential for abuse. N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CH - Melatonin receptor agonists 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
Glutaminylhydroxyproline
Glutaminylhydroxyproline is a dipeptide composed of glutamine and hydroxyproline. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Glutaminylleucine
Glutaminylleucine is a dipeptide composed of glutamine and leucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Hydroxyprolyl-Glutamine
Hydroxyprolyl-Glutamine is a dipeptide composed of hydroxyproline and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Hydroxyprolyl-Lysine
Hydroxyprolyl-Lysine is a dipeptide composed of hydroxyproline and lysine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Hydroxyprolyl-Gamma-glutamate
Hydroxyprolyl-Gamma-glutamate is a dipeptide composed of hydroxyproline and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Isoleucyl-Gamma-glutamate
Isoleucyl-Gamma-glutamate is a dipeptide composed of isoleucine and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Leucyl-Glutamine
Leucyl-Glutamine is a dipeptide composed of leucine and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Leucyl-Gamma-glutamate
Leucyl-Gamma-glutamate is a dipeptide composed of leucine and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Lysylhydroxyproline
Lysylhydroxyproline is a dipeptide composed of lysine and hydroxyproline. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Clobenzorex
Chemically, clobenzorex is an N-substituted amphetamine analog that is converted to d-amphetamine soon after ingestion. In commercial production, clobenzorex is supplied in 30 mg doses as the hydrochloride salt in green-tinted capsules. The drug gained use as a prescription anorectic in the 1970s; however, adverse reactions were eventually observed, which led to the prohibition of clobenzorex in the United States and certain other countries. Clobenzorex (Asenlix, Dinintel, Finedal, Rexigen) is a stimulant drug of the phenethylamine and amphetamine chemical classes used as an appetite suppressant. The drug is legally distributed in Mexico under the trade name Asenlix by Aventis. A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products
norzolmitripan
norzolmitripan is a metabolite of zolmitriptan. Zolmitriptan is a selective serotonin receptor agonist of the 1B and 1D subtypes. It is a triptan, used in the acute treatment of migraine attacks with or without aura and cluster headaches. Zolmitriptan is marketed by AstraZeneca with the brand names Zomig, Zomigon (Argentina, Canada & Greece), AscoTop (Germany) and Zomigoro (France). In 2008, Zomig generated nearly $154 million in sales. (Wikipedia)
3-Oxopentanoylcarnitine
3-oxopentanoylcarnitine is an acylcarnitine. More specifically, it is an 3-oxopentanoic 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. 3-oxopentanoylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 3-oxopentanoylcarnitine 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].
4-Oxopentanoylcarnitine
4-oxopentanoylcarnitine is an acylcarnitine. More specifically, it is an 4-oxopentanoic 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. 4-oxopentanoylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 4-oxopentanoylcarnitine 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].
Rhodiocyanoside A
A cyanogenic glycoside that is (2Z)-2-methylbut-2-enenitrile attached to a beta-D-glucopyranosyloxy at position 4. Isolated from Rhodiola quadrifida, it exhibits anti-allergic activity.
Pyo II
HQNO, secreted by P. aeruginosa, is a potent electron transport chain inhibitor with a Kd of 64 nM for complex III[1]. HQNO is a potent inhibitor of mitochondrial NDH-2 in many species[2]. HQNO, secreted by P. aeruginosa, is a potent electron transport chain inhibitor with a Kd of 64 nM for complex III[1]. HQNO is a potent inhibitor of mitochondrial NDH-2 in many species[2].
3-tert-Butyl 4-methyl 2,2-dimethyloxazolidine-3,4-dicarboxylate
Oxypyrithiamine; 1-(4-Hydroxy-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium
3-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylprop-2-en-1-one
1,4-Di-Ac-D-3-(Dimethylamino)-2,3,6-trideoxy-arabino-hexose
methyl 3-acetamido-4-O-acetyl-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranoside|Methyl N,O-diacetyl-alpha-L-vancosaminide
Ribalinine
Origin: Plant; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids
3alpha-p-Hydroxybenzoyloxytrop-6-en|4-hydroxy-benzoic acid trop-6-en-3-yl ester
(2S,4R)-1-((S)-2-(2-Aminoacetamido)Propanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
(-)-(3R)-geibalansine|(-)-(R)-geibalansine|(-)-R-geibalansine
(+)-grandisine D|(5S)-6-((S)-1,2,3,5,6,8a-hexahydroindolizine-8-carbonyl)-5-methylcyclohex-2-enone|grandisine D
2-(beta-D-glucopyranosyloxy)-3-methyl-but-2-enenitrile|2-beta-D-Glucopyranosyloxy-3-methyl-crotononitril|2-beta-D-glucopyranosyloxy-3-methyl-crotononitrile|Acacipetalin
3-(5-Hydroxy-[2]piperidylmethyl)-3H-chinazolin-4-on|3-(5-hydroxy-[2]piperidylmethyl)-3H-quinazolin-4-one
(+/-)-4-Hydroxy-2,2,6-trimethyl-3,4,5,6-tetrahydro-2H-pyrano<3,2-c>quinolin-5-one|2,3,4,6-Tetrahydro-4-hydroxy-2,2,6-trimethyl-5H-pyrano[3,2-c]quinolin-5-one,|4-hydroxy-2,2,6-trimethyl-3,4,5,6-tetrahydro-2H-pyrano<3,2-c>quinolin-5-one
(2R)-2-[ (1E,3E)-hexa-1,3-dien-1-yl]-2,6-dimethylfuro[3,2-c]pyridine-3,4(2H,5H)-dione|huaspenone D
5-methoxymethyl-1-[2-(4-hydroxyphenyl)-ethyl]-1h-pyrrole-2-carbaldehyde
N-[2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)ethyl]-N-methylacetamide
dodeca-4-keto-2E-ene-8,10-diynoic acid isobutylamide
(E)-2-(hydroxymethylene)butanenitrile beta-D-glucopyranoside|supinanitriloside F
(2Z)-4-(beta-D-glucopyranosyloxy)-2-butenenitrile|4-beta-D-pyranoglucosyloxyl-2(Z)-propene-1-nitrile|alliarinoside
Z-Antiepilepsirine
(Z)-3-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylprop-2-en-1-one is a natural product found in Macropiper, Piper nigrum, and Piper capense with data available.
propranolol
A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents CONFIDENCE standard compound; INTERNAL_ID 1248; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7445; ORIGINAL_PRECURSOR_SCAN_NO 7444 CONFIDENCE standard compound; INTERNAL_ID 1248; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7453; ORIGINAL_PRECURSOR_SCAN_NO 7452 CONFIDENCE standard compound; INTERNAL_ID 1248; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7471; ORIGINAL_PRECURSOR_SCAN_NO 7467 CONFIDENCE standard compound; INTERNAL_ID 1248; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7471; ORIGINAL_PRECURSOR_SCAN_NO 7469 CONFIDENCE standard compound; INTERNAL_ID 1248; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7478; ORIGINAL_PRECURSOR_SCAN_NO 7476 CONFIDENCE standard compound; INTERNAL_ID 1248; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7485; ORIGINAL_PRECURSOR_SCAN_NO 7484 CONFIDENCE standard compound; INTERNAL_ID 1108 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 61 CONFIDENCE standard compound; INTERNAL_ID 8556 Propranolol is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol is used for the study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3]. Propranolol is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol is used for the study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3]. Propranolol is a nonselective β-adrenergic receptor (βAR) antagonist, has high affinity for the β1AR and β2AR with Ki values of 1.8 nM and 0.8 nM, respectively[1]. Propranolol inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol is used for the study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3].
Ramelteon
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CH - Melatonin receptor agonists 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
C15H17NO3_4,6-Octadienoic acid, 3-[(4-formylphenyl)amino]-, (4E,6E)
(Z)-2-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile
(Z)-2-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile_major
Ile-GLN
A dipeptide formed from L-isoleucine and L-glutamine residues.
Norbutorphanol
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
(4-Aminomethyl-pyridin-2-yl)-carbamic acid tert-butyl ester
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-3-amine
(S)-4-(tert-Butoxycarbonyl)-6,6-dimethylmorpholine-3-carboxylic acid
4-(8-HYDROXY-1,4-DIOXA-SPIRO[4.5]DEC-8-YL)-BENZONITRILE
5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOINDOLIN-1-ONE
3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropanenitrile
1H-Pyrrolizine-7a(5H)-carboxylic acid, tetrahydro-3-oxo-, phenylmethyl ester
methyl (1S,3R,4S)-3-{[(tert-butoxy)carbonyl]amino}-4-hydroxycyclopentane-1-carboxylate
(1R,2S,4R)-N-BOC-1-AMINO-2-HYDROXYCYCLO-PENTANE-4-CARBOXYLIC ACID METHYL ESTER
(1R,2R,4R)-N-BOC-1-AMINO-2-HYDROXYCYCLOPENTANE-4-CARBOXYLIC ACID METHYL ESTER
(1S,2S,4S)-N-BOC-1-AMINO-2-HYDROXYCYCLOPENTANE-4-CARBOXYLIC ACID METHYL ESTER
methyl (1S,3R,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
methyl (1R,3S,4R)-3-{[(tert-butoxy)carbonyl]amino}-4-hydroxycyclopentane-1-carboxylate
(2R,4S)-N-Boc-4-hydroxypiperidine-2-carboxylic acid methyl ester
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one
(2S,4R)-1-Tert-butyl2-methyl4-hydroxypiperidine-1,2-dicarboxylate
2-(1-(TERT-BUTOXYCARBONYL)AZETIDIN-3-YL)MALONIC ACID
4-[cyclopropylmethyl(propyl)amino]-2-nitrobenzonitrile
5-[cyclopropylmethyl(propyl)amino]-2-nitrobenzonitrile
4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxane-4-carboxylic acid
(1-BENZYL-1H-BENZOIMIDAZOL-2-YLSULFANYL)-ACETICACID
(2S,4S)-1-tert-Butyl 2-methyl-4-hydroxypiperidine-1,2-dicarboxylate
(R)-1-(TERT-BUTOXYCARBONYL)-3,3-DIMETHYL-1,3-AZASILOLIDINE-5-CARBOXYLIC ACID
3-Cyano-5-methoxyphenylboronic acid, pinacol ester
1-O-tert-butyl 4-O-methyl 4-hydroxypiperidine-1,4-dicarboxylate
2-[(5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL)AMINO]BENZOICACID
3-CARBOXYMETHOXY-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(4-HYDROXY-NAPHTHALEN-1-YL)-CARBAMIC ACID TERT-BUTYL ESTER
3-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-imidazo[4,5-b]pyridine
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one
5-HYDRAZINOCARBONYL-1 H-IMIDAZOLE-4-CARBOXYLIC ACID P-TOLYLAMIDE
Methyl (R)-(+)-3-BOC-2,2-dimethyl-4-oxazolidinecarboxylate
2-(2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOXY)ACETONITRILE
TERT-BUTYL 2-CYANO-7,8-DIHYDRO-1,6-NAPHTHYRIDINE-6(5H)-CARBOXYLATE
1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidine-3-carboxylic acid
2,2,5,5-tetramethyl-4-phenacetyliden imidazolidine-1-oxyl free radical
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
ethyl 1-(2-amino-5-methylphenyl)-5-methyl-1H-imidazole-4-carboxylate
4-{[(2-Fluorobenzyl)oxy]methyl}piperidinehydrochloride
3-AMINO-3-(2-ETHOXYNAPHTHALEN-1-YL)-PROPIONIC ACID
[4-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)tetrahydro-2H-pyran -4-yl]acetic acid
Benzyl 5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate
1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidine-4-carboxylic acid
3-(2-CARBOXY-ETHYL)-MORPHOLINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER
2-((tert-butoxycarbonyl)amino)-2-(tetrahydro-2h-pyran-4-yl)acetic acid
2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]oxazole
Benzyl (2S,3aR,7aS)-octahydro-1H-indole-2-carboxylate
1-(4-DIMETHYLAMINO-2-HYDROXY-6-METHYL-PHENYL)-3-(4-DIMETHYLIMMONIUM-2-HYDROXY-6-METHYL-CYCLOHEXA-2,5-DIEN-1-YLIDENE)-2-OXO-CYCLOBUTEN-4-OLATE
2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetonitrile
azanium,methyl 2-methylprop-2-enoate,oxiran-2-ylmethyl 2-methylprop-2-enoate
3-O-tert-butyl 4-O-methyl (4S)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate
1H-Imidazole-4,5-dicarboxylic acid 4-[(4-amino-phenyl)-amide] 5-methylamide
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one
1,3,8-Triazaspiro[4.5]decane-2,4-dione,8-(phenylmethyl)-
4-phenyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
2-Chloro-4-isopropylamino-6-(3-methoxypropylamino)-1,3,5-triazine
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetonitrile
2,5-DIMETHOXY-4-(2-FLUORETHYLTHIO)-PHENYLETHYLAMIN
tert-butyl 3-(2-methoxy-2-oxoethyl)morpholine-4-carboxylate
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one
3-(4-METHOXYPHENYL)-5-(PIPERIDIN-3-YL)-1,2,4-OXADIAZOLE
(1R,2R,4S)-N-BOC-1-AMINO-2-HYDROXYCYCLO-PENTANE-4-CARBOXYLIC ACID METHYL ESTER
4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)aniline
4-(4-ETHYLPIPERAZIN-1-YL)-2-FLUOROANILINE HYDROCHLORIDE
benzyl 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylate
Benzyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
ETHYL 3-(3-ETHOXY-3-OXOPROPANAMIDO)-3-METHYLBUTANOATE
6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-3-amine
(3S,4R)-1-Tert-butyl 3-ethyl 4-hydroxypyrrolidine-1,3-dicarboxylate
3-(4-amino-6-anilino-1,3,5-triazin-2-yl)propanoic acid
2-(3-Carbethoxy-4-hydroxypyrrolidin-2-on-1-yl)ethyl acetate
2,3-Dihydro-1H-Isoindol-1-one-4-boronic acid pinacol ester
Benzyl (2S,3aR,7aS)-octahydroindole-2-carboxylate hydrochloride
methyl (1R,3S,4S)-3-{[(tert-butoxy)carbonyl]amino}-4-hydroxycyclopentane-1-carboxylate
1,2-PYRROLIDINEDICARBOXYLIC ACID, 4-METHOXY-, 1-(1,1-DIMETHYLETHYL) 2-METHYL ESTER, (2R,4R)-
4-[(3,3-dimethyl-5-oxocyclohexylidene)amino]benzoic acid
(2S,4S)-4-(Methoxymethyl)-1,2-pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) ester
1-tert-butyl 2-Methyl 3-hydroxypiperidine-1,2-dicarboxylate
3-Hydroxy agomelatine
3-Hydroxy agomelatine is a metabolite of Agomelatine. 3-Hydroxy agomelatine is a 5-HT2C receptor antagonist with an IC50 of 3.2 μM and a Ki of 1.8 μM[1].
1H-Indole, 1-[2-(1,3-dioxolan-2-yl)ethyl]-2,3-dihydro-3,3-dimethyl-2-methylene-
4-(2,4-DIMETHYLPHENYL)-1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-3-PYRIDINECARBOXYLIC ACID
1-tert-butyl 2-methyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate
2-carboethoxy-4-methoxy-1,6,7,8-tetrahydrocyclopent[g]indole
Benzyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
Celgosivir
C471 - Enzyme Inhibitor > C2846 - Glucosidase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
ethyl 1-(4-aminophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate
Dibenamine
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
2H-1-Benzopyran-2-one, 6-methyl-4-(4-morpholinylmethyl)-
Leu-Ala-Gly
A tripeptide composed of L-leucine, L-alanine and glycine joined in sequence by peptide linkages.
3-(3,4-Dimethylanilino)-1-thiophen-2-yl-1-propanone
tert-butyl 2-(1H-indol-3-ylmethylene)hydrazinecarboxylate
2-(2-Cyanoethyl)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran
Dexpropranolol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
1-[(2R)-1-hydroxy-4-phenylbutan-2-yl]-1H-imidazole-4-carboxamide
(Tert-butyloxycarbonyl)-alanyl-amino ethyl-formamide
Clobenzorex
A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products
(2S)-5-amino-2-[[(2S,3S)-2-azaniumyl-3-methylpentanoyl]amino]-5-oxopentanoate
(2S)-2-azaniumyl-5-{[(1S)-1-carboxylato-3-methylbutyl]amino}-5-oxopentanoate
(2S)-2-azaniumyl-5-{[(1S,2S)-1-carboxylato-2-methylbutyl]amino}-5-oxopentanoate
2-Amino-5-oxo-5-[[1-oxo-1-(2-oxoethylamino)propan-2-yl]amino]pentanoic acid
N8-Acetylspermidine dihydrochloride
N8-Acetylspermidine dihydrochloride is a polyamine.
2-[(3-Fluorophenyl)methyl-(phenylmethyl)amino]ethanol
(2r,3ar,7ar)-2-[(2s)-2-Amino-3-Hydroxy-3-Oxo-Propyl]-3,3a,5,6,7,7a-Hexahydrofuro[4,5-B]pyran-2-Carboxylic Acid
O-fumaryl-L-carnitine
An O-acyl-L-carnitine in which the acyl group is specified as fumaryl.
2-[(3R,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
N-[4-[(E)-N-acetamido-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide
2-[(3S,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
2-[(2S,5R,6S)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester
2-[(2S,5S,6S)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester
2-[(2S,5R,6R)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester
2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
2-[(3S,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
2-[(2R,5S,6R)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester
2-[(2R,5R,6S)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester
2-[(2S,5S,6R)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester
2-[(2R,5R,6R)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester
2-[(2R,5S,6S)-6-(hydroxymethyl)-5-(1-oxopropylamino)-2-oxanyl]acetic acid methyl ester
2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
2-[(3R,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-3-pyridinecarboxamide
2-[(1S)-8-Ethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid
(2S)-2-hydroxy-5-methyl-1-(1-methylindol-3-yl)hexan-3-one
(2S)-2-hydroxy-4-methyl-1-(1-methylindol-3-yl)hexan-3-one
Methyl 2-isopropyl-3-methyl-5-phenyl-1-pyrroline-4-carboxylate (3,4-trans-4,5-cis)
gamma-Glu-Leu(1-)
A peptide anion that is the conjugate base of gamma-Glu-Leu, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3.
ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate
(3Z)-ravenic acid
A member of the class of pyrrolidin-2-ones that is pyrrolidine-2,4-dione substituted at position 3 by a deca-2,4,6,8-tetraen-1-ylidene group which in turn is substituted by a hydroxy and methyl substituents at positions 1 and 4 respectively. It is an antibiotic isolated from Penicillium sp.
(1R,2S)-nortilidine
An ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate that is ent-dextilidine in which one of the methyl groups attached to the nitrogen is replaced by hydrogen. ent-Dextilidine is metabolised to (1R,2S)-nortilidine by the liver.
(1S,2R)-nortilidine
A ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate that is dextilidine in which one of the methyl groups attached to the nitrogen is replaced by hydrogen. Dextilidine is a prodrug for (1S,2R)-nortilidine, being metabolised to it by the liver.
gamma-Glu-Ile(1-)
A peptide anion that is the conjugate base of gamma-Glu-Ile, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3.
Dopamine D2 receptor antagonist-1
Dopamine D2 receptor antagonist-1 is a negative allosteric modulator (NAM) of the dopamine D2 receptor (D2R) with sub-mM affinity[1].
