Exact Mass: 295.1451312
Exact Mass Matches: 295.1451312
Found 500 metabolites which its exact mass value is equals to given mass value 295.1451312,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Xylopine
Xylopine, also known as (-)-xylopine, is a member of the class of compounds known as aporphines. Aporphines are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof. Xylopine is practically insoluble (in water) and a very strong basic compound (based on its pKa). Xylopine can be found in cherimoya and custard apple, which makes xylopine a potential biomarker for the consumption of these food products. Xylopine is an antimicrobial benzylisoquinoline alkaloid . Xylopine is an aporphine alkaloid. Xylopine is a natural product found in Dasymaschalon longiflorum, Annona muricata, and other organisms with data available.
Butralin
CONFIDENCE standard compound; INTERNAL_ID 277; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10587; ORIGINAL_PRECURSOR_SCAN_NO 10584 CONFIDENCE standard compound; INTERNAL_ID 277; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10578; ORIGINAL_PRECURSOR_SCAN_NO 10575 CONFIDENCE standard compound; INTERNAL_ID 277; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10538; ORIGINAL_PRECURSOR_SCAN_NO 10536 CONFIDENCE standard compound; INTERNAL_ID 277; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10568; ORIGINAL_PRECURSOR_SCAN_NO 10564 CONFIDENCE standard compound; INTERNAL_ID 277; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10608; ORIGINAL_PRECURSOR_SCAN_NO 10604 CONFIDENCE standard compound; INTERNAL_ID 277; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10617; ORIGINAL_PRECURSOR_SCAN_NO 10612
Sumatriptan
C14H21N3O2S (295.13544060000004)
Oftentimes, serotonin levels in the brain become extremely erratic before the onset of a migraine. In an attempt to stabilize this, sumatriptan is administered to help aid in leveling the serotonin levels in the brain. Sumatriptan is structurally similar to serotonin, and is a 5-HT (5-HT1D) agonist, which is one of the receptors that serotonin binds to. The specific receptor subtype it activates is present in the cranial and basilar arteries. Activation of these receptors causes vasoconstriction of those dilated arteries. Sumatriptan is also shown to decrease the activity of the trigeminal nerve. Sumatriptan is a triptan drug including a sulfonamide group structurally similar to serotonin, and is a 5-HT (5-HT1D) agonist, which is one of the receptors that serotonin binds to. Oftentimes, serotonin levels in the brain become extremely erratic before the onset of a migraine. In an attempt to stabilize this, sumatriptan is administered to help aid in leveling the serotonin levels in the brain. A serotonin agonist that acts selectively at 5HT1 receptors. It is used in the treatment of migraines. Sumatriptan (Imitrex, Imigran, Imigran Recovery) is a triptan drug including a sulfonamide group which was originally developed by Glaxo for the treatment of migraine headaches. Oftentimes, serotonin levels in the brain become extremely erratic before the onset of a migraine. In an attempt to stabilize this, sumatriptan is administered to help aid in leveling the serotonin levels in the brain. Sumatriptan is structurally similar to serotonin, and is a 5-HT (5-HT1D) agonist, which is one of the receptors that serotonin binds to. The specific receptor subtype it activates is present in the cranial and basilar arteries. Activation of these receptors causes vasoconstriction of those dilated arteries. Sumatriptan is also shown to decrease the activity of the trigeminal nerve.; Sumatriptan is a triptan drug including a sulfonamide group structurally similar to serotonin, and is a 5-HT (5-HT1D) agonist, which is one of the receptors that serotonin binds to. N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Sumatriptan (GR 43175) is an orally active 5-HT1 receptor agonist with IC50s of 7.3 nm, 9.3nm and 17.8 nm for 5-HT1D, 5-HT1B and 5-HT1F receptors, respectively. Sumatriptan can be used for migraine headache research[1][2][3][4].
Esmolol
Esmolol (trade name Brevibloc) is a cardioselective beta1 receptor blocker with rapid onset, a very short duration of action, and no significant intrinsic sympathomimetic or membrane stabilising activity at therapeutic dosages. Esmolol decreases the force and rate of heart contractions by blocking beta-adrenergic receptors of the sympathetic nervous system, which are found in the heart and other organs of the body. Esmolol prevents the action of two naturally occurring substances: epinephrine and norepinephrine. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AB - Beta blocking agents, selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
NSC627046
N6,N6-Dimethyladenosine is a modified ribonucleoside previously found in rRNA, and also exhibits in mycobacterium bovis Bacille Calmette-Guérin tRNA[1].
Norfluoxetine
Norfluoxetine is a metabolite of fluoxetine. (S)-Norfluoxetine, also known as seproxetine, is a selective serotonin reuptake inhibitor (SSRI). It is the most important active metabolite of the widely used antidepressant fluoxetine but little is known about its pharmacological actions. Seproxetine was being investigated by Eli Lilly and Company as an antidepressant, however, a cardiac side effect was noted and development was discontinued (Wikipedia).
Tertatolol
Tertatolol (Artex, Artexal, Prenalex) is a medication in the class of beta blockers, used in the treatment of high blood pressure. It was discovered by the French pharmaceutical company Servier and is marketed in Europe. 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 > D000889 - Anti-Arrhythmia Agents
7-Hydroxyheptaphylline
7-Hydroxyheptaphylline is found in fruits. 7-Hydroxyheptaphylline is an alkaloid from root bark of Clausena lansium (wampee). Alkaloid from root bark of Clausena lansium (wampee). 7-Hydroxyheptaphylline is found in fruits.
(E)-Herclavine
(E)-Herclavine is found in herbs and spices. (E)-Herclavine is an alkaloid from the bark of Zanthoxylum clava-herculis (Hercules club
Tyrosyl-Asparagine
Tyrosyl-Asparagine is a dipeptide composed of tyrosine and asparagine. 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.
Asparaginyl-Tyrosine
Asparaginyl-Tyrosine is a dipeptide composed of asparagine and tyrosine. 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.
Doxepin N-oxide
Doxepin N-oxide (CAS: 22684-91-9) is a metabolite of doxepin. Doxepin is a psychotropic agent with tricyclic antidepressant and anxiolytic properties, known under many brand-names such as Aponal, Adapine, Doxal, Deptran, Sinquan, and Sinequan. As doxepin hydrochloride, it is the active ingredient in cream-based preparations (Zonalon and Xepin) for the treatment of dermatological itch (Wikipedia).
(E)-2-hydroxydoxepin
(E)-2-hydroxydoxepin is a metabolite of doxepin. Doxepin is a psychotropic agent with tricyclic antidepressant and anxiolytic properties, known under many brand-names such as Aponal, the original preparation by Boehringer-Mannheim, now part of the Roche group; Adapine, Doxal, Deptran, Sinquan and Sinequan. As doxepin hydrochloride, it is the active ingredient in cream-based preparations (Zonalon and Xepin) for the treatment of dermatological itch. (Wikipedia)
(2E,4E,7E)-Nona-2,4,7-trienoylcarnitine
(2E,4E,7E)-nona-2,4,7-trienoylcarnitine is an acylcarnitine. More specifically, it is an (2E,4E,7E)-nona-2,4,7-trienoic 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. (2E,4E,7E)-nona-2,4,7-trienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E,4E,7E)-nona-2,4,7-trienoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].
Nona-2,4,6-trienoylcarnitine
Nona-2,4,6-trienoylcarnitine is an acylcarnitine. More specifically, it is an nona-2,4,6-trienoic 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. nona-2,4,6-trienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine nona-2,4,6-trienoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].
Nona-3,5,7-trienoylcarnitine
Nona-3,5,7-trienoylcarnitine is an acylcarnitine. More specifically, it is an nona-3,5,7-trienoic 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. nona-3,5,7-trienoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine nona-3,5,7-trienoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].
1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Cyclohexyl biphenyl-3-ylcarbamate
URB602 is a selective monoacylglycerol lipase (MGL) inhibitor, which inhibits rat brain MGL with IC50 of 28±4 μM through a noncompetitive mechanism.
Norquetiapine
C17H17N3S (295.11431220000003)
2-Methacryloyloxyethyl phosphorylcholine
H-Tyr-gly-gly-OH
Dibenzepin
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents
Dothiepin
2-[[2-(4-Hydroxyphenyl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-one
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
Indobufen
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
N-n-Propylnorapomorphine
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
N(6),O(2)-Dimethyladenosine
N2-Ethyl-2'-deoxyguanosine
Pitolisant
C78272 - Agent Affecting Nervous System N - Nervous system Pitolisant is a potent and selective nonimidazole inverse agonist at the recombinant human histamine H3 receptor (Ki=0.16 nM).
Pizotifen
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist D002491 - Central Nervous System Agents > D000700 - Analgesics Pizotifen (Pizotyline) is a potent 5-HT2 receptor antagonist, with a high affinity for 5-HT1C binding site.
N~2~,N~2~-Dimethyl-N~1~-(6-oxo-5,6-dihydrophenanthridin-2-YL)glycinamide
Nuciferine
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2317 Nuciferine is a natural product found in Cissampelos pareira, Paliurus hemsleyanus, and other organisms with data available. Nuciferine is an antagonist at 5-HT2A (IC50=478 nM), 5-HT2C (IC50=131 nM), and 5-HT2B (IC50=1 μM), an inverse agonist at 5-HT7 (IC50=150 nM), a partial agonist at D2 (EC50=64 nM), D5 (EC50=2.6 μM) and 5-HT6 (EC50=700 nM), an agonist at 5-HT1A (EC50=3.2 μM) and D4 (EC50=2 μM) receptor. Nuciferine is an antagonist at 5-HT2A (IC50=478 nM), 5-HT2C (IC50=131 nM), and 5-HT2B (IC50=1 μM), an inverse agonist at 5-HT7 (IC50=150 nM), a partial agonist at D2 (EC50=64 nM), D5 (EC50=2.6 μM) and 5-HT6 (EC50=700 nM), an agonist at 5-HT1A (EC50=3.2 μM) and D4 (EC50=2 μM) receptor. Nuciferine is an antagonist at 5-HT2A (IC50=478 nM), 5-HT2C (IC50=131 nM), and 5-HT2B (IC50=1 μM), an inverse agonist at 5-HT7 (IC50=150 nM), a partial agonist at D2 (EC50=64 nM), D5 (EC50=2.6 μM) and 5-HT6 (EC50=700 nM), an agonist at 5-HT1A (EC50=3.2 μM) and D4 (EC50=2 μM) receptor.
3,3-Dimethyl-10-hydroxy-1,2,3,11-tetrahydropyrano[3,2-a]carbazole-5-carbaldehyde
2-O-beta-D-glucopyranosyl 1,4-Dideoxy-1,4-imino-D-arabinitol
Pethoxamid
CONFIDENCE standard compound; INTERNAL_ID 2535 CONFIDENCE standard compound; INTERNAL_ID 8399 CONFIDENCE standard compound; INTERNAL_ID 4062 CONFIDENCE standard compound; EAWAG_UCHEM_ID 700
Dothiepin
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu); Flow Injection Flow Injection; CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu) CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu)
Dibenzepin
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents
N-Propylnorapomorphine
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
Isoxadifen-ethyl
CONFIDENCE standard compound; INTERNAL_ID 1336; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9548; ORIGINAL_PRECURSOR_SCAN_NO 9545 CONFIDENCE standard compound; INTERNAL_ID 1336; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9558; ORIGINAL_PRECURSOR_SCAN_NO 9557 CONFIDENCE standard compound; INTERNAL_ID 1336; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9573; ORIGINAL_PRECURSOR_SCAN_NO 9571 CONFIDENCE standard compound; INTERNAL_ID 1336; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9589; ORIGINAL_PRECURSOR_SCAN_NO 9588 CONFIDENCE standard compound; INTERNAL_ID 1336; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9589; ORIGINAL_PRECURSOR_SCAN_NO 9587 CONFIDENCE standard compound; INTERNAL_ID 1336; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9601; ORIGINAL_PRECURSOR_SCAN_NO 9599 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3168
N-benzyl-N-(1-cyclopropylethenyl)-3-fluorobenzamide
C19H18FNO (295.13723500000003)
URB602
URB602 is a selective monoacylglycerol lipase (MGL) inhibitor, which inhibits rat brain MGL with IC50 of 28±4 μM through a noncompetitive mechanism.
Pizotifen
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist D002491 - Central Nervous System Agents > D000700 - Analgesics Pizotifen (Pizotyline) is a potent 5-HT2 receptor antagonist, with a high affinity for 5-HT1C binding site.
12-hydroxy-(13betaH)-19,20-dinor-crotalanane-11,15-dione|Crobarbatin|crobarbatine
(2E,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxo-2,7,9-dodecatrienamide|(6RS)-(2E,7E,9E)-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-11-oxo-2,7,9-dodecatrienamide|ZP-amide A
5-acetamido-3,5-dideoxy-beta-D-glycero-D-galacto-nonulopyranose|5-Acetamido-3,5-dideoxy-D-glycero-beta-D-galacto-nonulo-pyranose
1,4-dideoxy-1,4-imino-(5-O-beta-D-glucopyranosyl)-D-arabinitol
(11RS)-(2E,7E,9E)-11-hydroxy-N-(2-hydroxy-2-methylpropyl)-6-oxo-2,7,9-dodecatrienamide|ZP-amide B
(6aR)-4,5,6a,7-tetrahydro-2-hydroxy-1-methoxy-6H-dibenzo[de,g]quinoline-6-carbaldehyde|kachirachiranine|N-formylasimilobine
4-(7-hydroxy-3-methoxy-6-methyl-9H-carbazol-4-yl)but-3-en-2-one
2,8-dihydroxy-7-(3-methylbut-2-en-1-yl)-9H-carbazole-3-carbaldehyde|excavatine A
9H-Pyrido(3,4-b)indole, 1-(6-quinolinyl)-, hemihydrate
GB4 Toxin|O,O-dipropyl (E)-2-(1-methyl-2-oxopropylidene)phosphorahydrazidothioate-(E)-oxime|O,O-dipropyl (E)-2-(1-methyl-2-oxopropylidene)phosphorohydrazidothioate (E)-oxime|O,O-Dipropyl(E)-2-(1-methyl-2-oxopropylidene)phosphorohydrazidothioate(E)-oxime
C10H22N3O3PS (295.11194320000004)
(+)-norstephalagine|(-)-norstephalagine|noestephalagine|Norstephalagin|Norstephalagine
1-(2-Dimethylamino-aethyl)-3-methoxy-phenanthren-4-ol|1-<2-Dimethylamino-aethyl>-3-methoxy-phenanthren-4-ol
11-(piperazin-1-yl)dibenzo[b,f][1,4]thiazepine
C17H17N3S (295.11431220000003)
Norfluoxetine
CONFIDENCE standard compound; EAWAG_UCHEM_ID 335 CONFIDENCE standard compound; INTERNAL_ID 2112
Propranolol HCl
Propranolol hydrochloride 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 hydrochloride inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol hydrochloride is used for study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3]. Propranolol hydrochloride 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 hydrochloride inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol hydrochloride is used for study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3]. Propranolol hydrochloride 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 hydrochloride inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol hydrochloride is used for study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3].
Seproxetine
CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 1000 C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
C14H21N3O4_1-(5,10-Dioxohexahydro-1H,5H-dipyrrolo[1,2-a:1,2-d]pyrazin-5a(6H)-yl)-2-propanyl carbamate
ESMOLOL
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AB - Beta blocking agents, selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
sumatriptan
C14H21N3O2S (295.13544060000004)
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Sumatriptan (GR 43175) is an orally active 5-HT1 receptor agonist with IC50s of 7.3 nm, 9.3nm and 17.8 nm for 5-HT1D, 5-HT1B and 5-HT1F receptors, respectively. Sumatriptan can be used for migraine headache research[1][2][3][4].
1-(5,10-dioxo-2,3,5a,6,7,8-hexahydro-1H-dipyrrolo[1,2-d:1,2-f]pyrazin-10a-yl)propan-2-yl carbamate
Dosulepin
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators CONFIDENCE Reference Standard (Level 1); HBM4EU - science and policy for a healthy future (https://www.hbm4eu.eu)
3-Pyrrolidineacetic acid, 5-oxo-4,4-diphenyl- (9CI)
(2R,4R)-tert-butyl 4-(hydroxymethyl)-2-phenylthiazolidine-3-carboxylate
C15H21NO3S (295.12420760000003)
Asn-tyr
A dipeptide composed of L-asparagine and L-tyrosine joined by a peptide linkage.
7-Hydroxyheptaphylline
A natural product found in Clausena harmandiana.
TERTATOLOL
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 > D000889 - Anti-Arrhythmia Agents
1-(5,10-Dioxohexahydro-1H,5H-dipyrrolo[1,2-a:1,2-d]pyrazin-5a(6H)-yl)-2-propanyl carbamate
2-Methyl-2-propanyl 2-{[4-(2-aminoethyl)phenyl]sulfanyl}-2-methyl propanoate
3-(PYRROLIDINE-1-CARBONYL)-[1,1-BIPHENYL]-2-CARBOXYLIC ACID
2-BENZYLOXY-3-TERT-BUTOXYCARBONYLAMINO-PROPIONIC ACID
1-Piperazineaceticacid, 4-methyl-, 2-[(5-nitro-2-furanyl)methylene]hydrazide
4-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)BENZONITRILE
Floredil
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
N-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-(hydroxymethyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol
C14H15F2N3O2 (295.11322739999997)
2,2-DIPHENYL-1-ETHYLBORONIC ACID DIETHANOLAMINE ESTER
(3-CYCLOPROPANECARBONYL-PHENYL)-CARBAMIC ACID BENZYL ESTER
7-tert-Butyl 2-ethyl 5,6-dihydroimidazo[1,2-a]pyrazine-2,7(8H)-dicarboxylate
4,6-Di-morpholin-4-yl-[1,3,5]triazine-2-carboxylic acid
(2S,3R)-3-((TERT-BUTOXYCARBONYL)AMINO)-2-HYDROXY-4-PHENYLBUTANOIC ACID
(6-ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
4-(2-Fluorophenoxy)-1-piperidinecarboxylic acid tert-butyl ester
tyr-gly-gly
A tripeptide composed of one L-tyrosine and two glycine residues joined in sequence.
2-(3-OXO-1,2,3,4-TETRAHYDRO-QUINOXALIN-2-YL)-N-P-TOLYL-ACETAMIDE
(5-AMINO-2-METHOXY-PHENYL)-CARBAMICACIDTERT-BUTYLESTER
boc-(r)-3-amino-3-(2-methoxy-phenyl)-propionic acid
methyl 3-[(tert-butoxycarbonyl)amino]-3-(3-hydroxyphenyl)propanoate
N-(4-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
[2-(2,4-dimethoxy-phenyl)-2-oxo-ethyl]-carbamic acid tert-butyl ester
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-3-carboxylic acid
[2-(3,4-dimethoxy-phenyl)-2-oxo-ethyl]-carbamic acid tert-butyl ester
Dexpropranolol hydrochloride
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 (R)-Propranolol hydrochloride is a less active enantiomer of the?β-adrenoceptor antagonist?propranolol (HY-B0573). 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].
1-[2-(2-METHOXY-PHENOXY)-ETHYL]-1H-INDOLE-3-CARBALDEHYDE
5-tert-butyl 3-ethyl 6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-3,5(4H)-dicarboxylate
(2S,4R)-1-(Diisopropoxyphosphoryl)-4-hydroxypyrrolidine-2-carboxylic acid
tert-Butyl 4-(4-amino-2-fluorophenyl)piperazine-1-carboxylate
2-(4-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
N-Cyclohexylcarbamic acid [1,1-biphenyl]-3-yl ester
Eperisone hydrochloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
1-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]ethanone
Di-(tert-butyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
1-[4-[(4-butoxyphenyl)methylideneamino]phenyl]ethanone
(R)-2-((TERT-BUTOXYCARBONYL)AMINO)-3-(2-METHOXYPHENYL)PROPANOIC ACID
Entecavir hydrate
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent Entecavir monohydrate (BMS200475 monohydrate; SQ34676 monohydrate) is a potent and selective inhibitor of HBV, with an EC50 of 3.75 nM in HepG2 cell.
(S)-ETHYL 1-(2-CYCLOHEXYL-2-OXOACETYL)PIPERIDINE-2-CARBOXYLATE
(S)-(-)-4-(2-CHLOROPHENYL)-2-HYDROXY-5,5-DIMETHYL-1,3,2-DIOXAPHOSPHORINANE2-OXIDE
3-(2-(BENZYLAMINO)ETHYL)QUINAZOLINE-2,4(1H,3H)-DIONE
4-Hydroxy tolbutamide
4-Hydroxy tolbutamide is a hydroxylation byproduct of tolbutamide. Tolbutamide is a first generation potassium channel blocker. It is a sulfonylurea oral hypoglycemic drug sold under the brand name Orinase. This drug may be used in the management of type II diabetes if diet alone is not effective. Tolbutamide stimulates the secretion of insulin by the pancreas. [HMDB]
Benzeneacetonitrile, a-(3-chloropropyl)-3,4-dimethoxy-a-(1-methylethyl)-
(2R,3R)-3-((TERT-BUTOXYCARBONYL)AMINO)-2-HYDROXY-4-PHENYLBUTANOIC ACID
beta-1-Cyclohexen-1-yl-4-methoxy-N,N-dimethylbenzeneethanamine hydrochloride
6-METHYL-4-PIPERAZINO-2-(TRIFLUOROMETHYL)QUINOLINE
2-((TERT-BUTOXYCARBONYL)AMINO)-3-(4-METHOXYPHENYL)PROPANOIC ACID
boc-(s)-3-amino-3-(2-methoxy-phenyl)-propionic acid
Propranolol hydrochloride
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Propranolol hydrochloride 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 hydrochloride inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol hydrochloride is used for study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3]. Propranolol hydrochloride 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 hydrochloride inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol hydrochloride is used for study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3]. Propranolol hydrochloride 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 hydrochloride inhibits [3H]-DHA binding to rat brain membrane preparation with an IC50 of 12 nM[2]. Propranolol hydrochloride is used for study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[3].
4-AMINO-BENZOIC ACID 3-(1H-BENZOIMIDAZOL-2-YL)-PROPYL ESTER
3-(5,6-dimethyl-1H-indol-2-yl)-4-methoxybenzoic acid
(1-(1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL)-1H-PYRAZOL-4-YL)BORONIC ACID
C13H22BN3O4 (295.17032820000003)
5-(2,1,3-benzoxadiazol-5-yl)-N-cyclopentyl-2-methylpyrimidin-4-amine
3,3-difluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one
Sulodexide
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AB - Heparin group D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D006401 - Hematologic Agents > D000925 - Anticoagulants D009676 - Noxae > D000963 - Antimetabolites D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D007004 - Hypoglycemic Agents
2-chloro-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
MONOMETHYL (ETHYLENE GLYCOL)PROPYLTRICHLOROSILANE
CH3O(C2H4O)6-9C3H6Cl3Si (295.1756692)
Benzyl (2S,3aR,7aS)-octahydroindole-2-carboxylate hydrochloride
N-(4-Chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
(S)-(-)-PROPRANOLOL HYDROCHLORIDE
(S)-(-)-Propranolol hydrochloride is a β-adrenergic receptor antagonist with log Kd?values of -8.16, -9.08, and -6.93 for β1, β2, and β3, respectively. (S)-(-)-Propranolol hydrochloride the active enantiomer of propranolol and can be s used for study of hypertension, pheochromocytoma, myocardial infarction, cardiac arrhythmias, angina pectoris, and hypertrophic cardiomyopathy[2].
2-AMINO-1,4-DIHYDRO-4-PHENYL-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID, ETHYL ESTER
P,P-di(aziridin-1-yl)-N-(2-(diethylamino)pyridin-4-yl)phosphinic amide
C13H22N5OP (295.15618920000003)
(9H-Fluoren-9-yl)methyl 3-hydroxyazetidine-1-carboxylate
1-Benzyl 3-methyl 3-fluoro-1,3-piperidinedicarboxylate
Celgosivir hydrochloride
C471 - Enzyme Inhibitor > C2846 - Glucosidase Inhibitor
3-Allyl-2,3,4,5-tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists
6-[4-(Methylthio)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
2-{[(1-butyl-1H-benzimidazol-2-yl)amino]methyl}phenol
(6aS)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
1-(2,6-Dimethyl-4-morpholinyl)-3-(4-methoxyphenoxy)-2-propanol
1-[2-(4-Phenylmethoxyphenoxy)ethyl]-1,2,4-triazole
6-Phenyl-5-(1-piperidinyl)-2-prop-2-enyl-3-pyridazinone
3,4-dihydro-2H-quinolin-1-yl-(4-propoxyphenyl)methanone
furan-2-yl-[4-(1H-indol-4-yl)piperazin-1-yl]methanone
5-Methyl-2-(2-phenoxyethyl)-4-phenyl-1,2,4-triazol-3-one
(E)-N-benzyl-2-cyano-3-[5-(dimethylamino)furan-2-yl]prop-2-enamide
1-(2,5-Dideoxy-5-Pyrrolidin-1-Yl-Beta-L-Erythro-Pentofuranosyl)-5-Methylpyrimidine-2,4(1h,3h)-Dione
Indobufen
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Pitolisant
C78272 - Agent Affecting Nervous System N - Nervous system Pitolisant is a potent and selective nonimidazole inverse agonist at the recombinant human histamine H3 receptor (Ki=0.16 nM).
Nuciferin
Nuciferine is an antagonist at 5-HT2A (IC50=478 nM), 5-HT2C (IC50=131 nM), and 5-HT2B (IC50=1 μM), an inverse agonist at 5-HT7 (IC50=150 nM), a partial agonist at D2 (EC50=64 nM), D5 (EC50=2.6 μM) and 5-HT6 (EC50=700 nM), an agonist at 5-HT1A (EC50=3.2 μM) and D4 (EC50=2 μM) receptor. Nuciferine is an antagonist at 5-HT2A (IC50=478 nM), 5-HT2C (IC50=131 nM), and 5-HT2B (IC50=1 μM), an inverse agonist at 5-HT7 (IC50=150 nM), a partial agonist at D2 (EC50=64 nM), D5 (EC50=2.6 μM) and 5-HT6 (EC50=700 nM), an agonist at 5-HT1A (EC50=3.2 μM) and D4 (EC50=2 μM) receptor. Nuciferine is an antagonist at 5-HT2A (IC50=478 nM), 5-HT2C (IC50=131 nM), and 5-HT2B (IC50=1 μM), an inverse agonist at 5-HT7 (IC50=150 nM), a partial agonist at D2 (EC50=64 nM), D5 (EC50=2.6 μM) and 5-HT6 (EC50=700 nM), an agonist at 5-HT1A (EC50=3.2 μM) and D4 (EC50=2 μM) receptor.
(R)-[(2S,5R)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
(S)-[(2S,4R,5S)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
3-Phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
2-[[(4-Ethylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester
C15H21NO3S (295.12420760000003)
2-Methoxy-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-nitrophenol
7-Hydroxy-2-methyl-6-propyl-3-(2-pyridinyl)-1-benzopyran-4-one
4-amino-2,6-dimethyl-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-3-pyridazinone
9-methyl-3-[(2-methyl-1-imidazolyl)methyl]-2,3,4a,9a-tetrahydro-1H-carbazol-4-one
6-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-5-methyl-2,3-dihydroisoindol-1-one
N-tert-butyl-6-ethyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine
N-{4-[3-(2-methoxyphenyl)acryloyl]phenyl}acetamide
N-[3-(dimethylamino)propyl]-9H-carbazole-3-carboxamide
N-(cyclopentylideneamino)-4-(2,5-dimethyl-1-pyrrolyl)benzamide
N-[(3-methoxyphenyl)methyl]-1-propyl-5-benzimidazolamine
3-[1-(2-Furanylmethyl)-5-phenyl-2-pyrrolyl]propanoic acid
N-(2-oxolanylmethyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine
3-[3-(4-isopropylphenyl)acryloyl]-4,6-dimethyl-2(1H)-pyridinone
1-(4-methylphenyl)-5-[(4-morpholinylmethylene)amino]-1H-pyrazole-4-carbonitrile
Hydron;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;chloride
2-Ethyl-4-(3-methyl-1-piperidinyl)benzofuro[3,2-d]pyrimidine
(1S)-1-[5-[(3-fluorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]-2-methyl-1-butanamine
C14H18FN3OS (295.11545500000005)
N-butyl-N(2)-[(2Z)-2-(2-furyl)-2-(methoxyimino)acetyl]-L-alaninamide
3-Hydroxy-1-methyl-4,5-diphenylpiperidine-2,6-dione
4-{[(2S,5S)-5-[(4-hydroxyphenyl)methyl]-2,5-dihydropyrazin-2-yl]methyl}phenol
(5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-1-ium-4-ylmethanol
Xylopine
Xylopine is an aporphine alkaloid. Xylopine is a natural product found in Dasymaschalon longiflorum, Annona muricata, and other organisms with data available.
N,N-Dimethyladenosine
N6,N6-Dimethyladenosine is a modified ribonucleoside previously found in rRNA, and also exhibits in mycobacterium bovis Bacille Calmette-Guérin tRNA[1].
2-[[2-(4-Hydroxyphenyl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-one
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-13,14-diol
Pyrrolo(2,1-a)isoquinoline, 1,2,3,5,6,10b-hexahydro-6-(4-(methylthio)phenyl)-, (6R,10bS)-
(6S,10bR)-6-[4-(methylthio)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
Tyr-Gly-Gly zwitterion
A tripeptide zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of Tyr-Gly-Gly. Major microspecies at pH 7.3.
Dopamine D2 receptor agonist-3
Dopamine D2 receptor agonist-3 (compound 3) is a selective D2 receptor partial agonist and Dopamine D3 receptor antagonist (with pEC50 of 8.3 and <5.5 respectively)[1].
N6,2′-O-Dimethyladenosine
N6,2′-O-Dimethyladenosine, a substrate of fat mass and obesity-associated gene (FTO), is a reversible modification widely occurred on varied RNA molecules. N6,2′-O-Dimethyladenosine can regulate obesity[1][2].
N6-Ethyladenosine
N6-Ethyladenosine is an adenosine derivative, acts as a Adenosine receptor agonist, with Kis of 4.9 and 4.7 nM for hA1AR and hA3AR, respectively[1]. N6-Ethyladenosine is an adenosine derivative, acts as a Adenosine receptor agonist, with Kis of 4.9 and 4.7 nM for hA1AR and hA3AR, respectively[1].
(1r,6r,9s,10r,11r,12s)-6-[(1s)-1-hydroxypropyl]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.0¹,¹¹.0⁵,¹⁰]pentadecan-13-one
6-hydroxy-4-{3-[(3r,5s)-5-(hydroxymethyl)-3,5-dimethyloxolan-2-ylidene]-2-oxopropyl}-4,5-dihydro-3h-pyridin-2-one
(11r,12r)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-11-ium-11-olate
2,2-dimethyl-7-(2-methylbut-3-en-2-yl)-8h-chromeno[7,6-b]pyrrole-6-carbaldehyde
2-hydroxy-1-(2-hydroxy-3-methylbut-3-en-1-yl)-9h-carbazole-3-carbaldehyde
(1r,5r,6s,16r)-6-hydroxy-5,6-dimethyl-2,8-dioxa-13-azatricyclo[8.5.1.0¹³,¹⁶]hexadec-10-ene-3,7-dione
10-hydroxy-3,3-dimethyl-1h,2h,11h-pyrano[3,2-a]carbazole-5-carbaldehyde
(1r,13r,14r,15z)-15-ethylidene-14-hydroxy-13-methyl-1λ⁵,11-diazapentacyclo[12.2.2.0¹,¹³.0⁴,¹².0⁵,¹⁰]octadeca-4(12),5,7,9-tetraen-1-ylium
7-hydroxy-3-methyl-8-(3-methylbut-2-en-1-yl)-9h-carbazole-1,4-dione
6-hydroxy-4-{[5-(3-hydroxy-2-methylpropyl)-5-methyl-4-oxofuran-2-yl]methyl}-4,5-dihydro-3h-pyridin-2-one
(7-oxo-5,6-dihydropyrrolizin-1-yl)methyl 2,3-dihydroxy-2-isopropylbutanoate
2-[(3,4-dihydroxypyrrolidin-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(1r)-6-methoxy-9-oxa-2-azapentacyclo[13.3.1.0⁵,¹⁸.0⁸,¹⁷.0¹¹,¹⁶]nonadeca-5(18),6,8(17),11(16),12,14-hexaen-7-ol
(12r)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-17-ol
(4r)-6-hydroxy-1',5-dimethyl-2,3-dihydro-1h-spiro[indene-4,3'-indole]-2',7-dione
2-methyl-1-[(3s)-3-methylpentyl]-9h-carbazole-3,4-dione
(12r,13s)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol
6-hydroxy-4-{[(5s,6s)-6-[(2r)-1-hydroxypropan-2-yl]-5-methyl-4-oxo-5,6-dihydropyran-2-yl]methyl}-4,5-dihydro-3h-pyridin-2-one
3-(1-hydroxy-2-methyloct-6-en-1-ylidene)-5-(1-hydroxyethyl)-1-methylpyrrolidine-2,4-dione
11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-9-ol
(9r,12r)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-9-ol
(2r,3r,4s,5s,6r)-2-{[(2r,3r,4r)-3,4-dihydroxypyrrolidin-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(1s,2s,4s,4as,11ar,13as)-1,4-dihydroxy-2-methyl-12-oxo-dodecahydroindeno[3a,3-i]indolizin-8-ium-8-olate
(12r,13s)-13-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaene
n-(3-{2-[dipropoxy(sulfanylidene)-λ⁵-phosphanyl]hydrazin-1-ylidene}butan-2-ylidene)hydroxylamine
C10H22N3O3PS (295.11194320000004)
6-hydroxy-4-{[6-(1-hydroxypropan-2-yl)-5-methyl-4-oxo-5,6-dihydropyran-2-yl]methyl}-4,5-dihydro-3h-pyridin-2-one
11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-16-ol
4-methoxy-6-[(1e,3e,5e,7e)-8-(1h-pyrrol-2-yl)octa-1,3,5,7-tetraen-1-yl]pyran-2-one
6-hydroxy-4-{[(5r)-5-[(2s)-3-hydroxy-2-methylpropyl]-5-methyl-4-oxofuran-2-yl]methyl}-4,5-dihydro-3h-pyridin-2-one
(2e,6r,7e,9e)-6-hydroxy-n-(2-hydroxy-2-methylpropyl)-11-oxododeca-2,7,9-trienimidic acid
(12s)-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaene
3-[(2z)-4-[4-hydroxy-4-(hydroxymethyl)cyclohexyl]-5-oxofuran-2-ylidene]-2-methylpropanimidic acid
1-[8-hydroxy-1,3-bis(hydroxymethyl)-7-methoxy-6-methyl-3,4-dihydro-1h-isoquinolin-2-yl]ethanone
7-methoxy-3-methyl-8-(3-methylbut-2-en-1-yl)-9h-carbazol-1-ol
1-hydroxy-11-(4-hydroxyphenyl)-3-methyl-6h,7h,8h,9h-10λ⁵-pyridazino[1,2-a]indazol-10-ylium
(9r)-15-hydroxy-16-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaene-10-carbaldehyde
11-hydroxy-n-(2-hydroxy-2-methylpropyl)-6-oxododeca-2,7,9-trienimidic acid
5-(acetyloxy)-3-methyl-n-(2,4,5-trimethyl-3-oxofuran-2-yl)pent-2-enimidic acid
(7-oxo-5,6-dihydropyrrolizin-1-yl)methyl (2s)-2-hydroxy-2-[(1s)-1-hydroxyethyl]-3-methylbutanoate
(12s,13r)-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol
(9s)-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,13(17),14-hexaen-8-one
(e)-n-[(3e)-3-{2-[dipropoxy(sulfanylidene)-λ⁵-phosphanyl]hydrazin-1-ylidene}butan-2-ylidene]hydroxylamine
C10H22N3O3PS (295.11194320000004)