Exact Mass: 291.1290636
Exact Mass Matches: 291.1290636
Found 500 metabolites which its exact mass value is equals to given mass value 291.1290636,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cyproconazole
CONFIDENCE Parent Substance (Level 1); INTERNAL_ID 2100 CONFIDENCE standard compound; INTERNAL_ID 2568 D016573 - Agrochemicals D010575 - Pesticides
uniconazole
2,7-Anhydro-alpha-N-acetylneuraminic acid
2-Deoxy-2,3-dehydro-N-acetylneuraminic acid
D004791 - Enzyme Inhibitors
S-(2-Methylbutanoyl)-dihydrolipoamide
C13H25NO2S2 (291.13266300000004)
S-(2-Methylbutanoyl)-dihydrolipoamide-E is an intermediate in isoleucine degradation. S-(2-Methylbutanoyl)-dihydrolipoamide is normally conjugated to a lysine residue of the methylpropanoyltransferase enzyme (E stands for enzyme). The structure shown here is the free form. Specifically S-(2-Methylbutanoyl)-dihydrolipoamide-E is the 2-methylbutanoyl thioester of the reduced lipoyllysine residue in dihydrolipoyllysine-residue (2-methylpropanoyl)transferase. [HMDB] S-(2-Methylbutanoyl)-dihydrolipoamide-E is an intermediate in isoleucine degradation. S-(2-Methylbutanoyl)-dihydrolipoamide is normally conjugated to a lysine residue of the methylpropanoyltransferase enzyme (E stands for enzyme). The structure shown here is the free form. Specifically S-(2-Methylbutanoyl)-dihydrolipoamide-E is the 2-methylbutanoyl thioester of the reduced lipoyllysine residue in dihydrolipoyllysine-residue (2-methylpropanoyl)transferase.
S-(3-Methylbutanoyl)-dihydrolipoamide-E
C13H25NO2S2 (291.13266300000004)
S-(3-Methylbutanoyl)-dihydrolipoamide-E is an intermediate in valine, leucine and isoleucine degradation(KEGG ID C15975 ). It is the second to last step in the synthesis of branched chain fatty acid and is converted from 3-methyl-hydroxybutyl-ThPP via the enzyme 2-oxoisovalerate dehydrogenase [EC:1.2.4.4]. It is then converted to 3-methylbutanoyl-CoA via the enzyme dihydrolipoyllysine-residue (2-methylpropanoyl)transferase[EC:2.3.1.168]. [HMDB] S-(3-Methylbutanoyl)-dihydrolipoamide-E is an intermediate in valine, leucine and isoleucine degradation(KEGG ID C15975 ). It is the second to last step in the synthesis of branched chain fatty acid and is converted from 3-methyl-hydroxybutyl-ThPP via the enzyme 2-oxoisovalerate dehydrogenase [EC:1.2.4.4]. It is then converted to 3-methylbutanoyl-CoA via the enzyme dihydrolipoyllysine-residue (2-methylpropanoyl)transferase[EC:2.3.1.168].
Eseridine
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
Benzhydramine HCl
C17H21NO.HCl (291.13898320000004)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D018926 - Anti-Allergic Agents Diphenhydramine hydrochloride is a first-generation histamine H1-receptor antagonist with anti-cholinergic effect. Diphenhydramine hydrochloride can across the ovine blood-brain barrier (BBB)[1][2].
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-carbonitrile
C12H13N5O4 (291.09674980000005)
COVID info from DrugBank, PDB, Protein Data Bank, clinicaltrial, clinicaltrials, clinical trial, clinical trials D000890 - Anti-Infective Agents > D000998 - Antiviral Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(S)-Edulinine
(S)-Edulinine is found in pomes. (S)-Edulinine is an alkaloid from the bark of Casimiroa edulis (Mexican apple
Seryltryptophan
Seryltryptophan is a dipeptide composed of serine and tryptophan. 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.
Tryptophyl-Serine
Tryptophyl-Serine is a dipeptide composed of tryptophan and serine. 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.
Desethylchloroquine
Desethylchloroquine is the major product of the stereoselective human metabolism of Chloroquine, used for the therapy and prevention of malaria.
2-hydroxy-3-methylbutanedioylcarnitine
C12H21NO7 (291.13179560000003)
2-hydroxy-3-methylbutanedioylcarnitine is an acylcarnitine. More specifically, it is an 2-hydroxy-3-methylbutanedioic 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. 2-hydroxy-3-methylbutanedioylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 2-hydroxy-3-methylbutanedioylcarnitine 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-(Methylsulfanyl)-2-oxobutanoylcarnitine
4-(methylsulfanyl)-2-oxobutanoylcarnitine is an acylcarnitine. More specifically, it is an 4-(methylsulfanyl)-2-oxobutanoic 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-(methylsulfanyl)-2-oxobutanoylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 4-(methylsulfanyl)-2-oxobutanoylcarnitine 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].
(2R,4S)-1-(Tert-butoxycarbonyl)-4-phenylpyrrolidine-2-carboxylic acid
1-(5-Isoquinolinesulfonyl)-2-methylpiperazine
D004791 - Enzyme Inhibitors
1,N6-Ethenoadenosine
C12H13N5O4 (291.09674980000005)
2-Deoxy-2,3-dehydro-n-acetyl-neuraminic acid
2-Hydroxy-1-naphthylaldehyde isonicotinoyl hydrazone
Befunolol
S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01ED - Beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent
Carprazidil
C12H13N5O4 (291.09674980000005)
Desethylenenorfloxacin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
Ethenoadenosine
C12H13N5O4 (291.09674980000005)
Fasudil
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
LG 50,051
1-(3,4,5-Trimethoxycinnamoyl)pyrrolidine is a natural product found in Piper lolot and Piper sarmentosum with data available.
syn-3-Isopropyl-6-(4-methoxybenzyl)-4-methylmorpholine-2,5-dione
ethyl N-[2-(1H-indol-3-yl)ethylcarbamothioyl]carbamate
5H-Dibenzo[a,d]cyclohepten-3-ol,5-[3-(dimethylamino)propylidene]-
4-[[2-[(E)-1-hydroxybut-2-enyl]-5-oxooxolan-3-yl]amino]benzoic acid
Di-Me ester,N-tert-butyloxycarbonyl-2-Amino-3-hydroxypentanedioic acid
C12H21NO7 (291.13179560000003)
3-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-7-oxa-3-azabicyclo[4.1.0]heptan-2-one
4-amino-5-cyano-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine|4-amino-7(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile|4-amino-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile|7-Cyano-7-deazaadenosine|NSC-63701|toyocamycin|Vengicide|[(15)N]5-toyocamycin|[2-(13)C]-toyocamycin
C12H13N5O4 (291.09674980000005)
(Z)-1-pyrrolidin-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
1-((2L)-2-carboxy-5-oxo-1-pyrrolidinyl)-1-deoxy-D-fructose|1-<(2L)-2-carboxy-5-oxo-1-pyrrolidinyl>-1-deoxy-D-fructose|N-(1-deoxy-D-fructos-1-yl)-5-oxo-L-proline|N-(1-deoxy-D-fructos-1-yl)-L-pyroglutamic acid monohydrate
3-isopropyl-6-(4-methoxybenzyl)-4-methylmorpholine-2,5-dione
(R)-3-(2-acetoxy-4-phenylbut-3-enoylamino)propionic acid
desulfo-pent-4-enyl GL|desulfoglucobrassicanapin|DS-GBN
1,2-(Methylenedioxy)-7,7-dimethyl-4,5-dihydro-7H-dibenzo[de,g]quinoline
methyl 5-acetamido-1,7-anhydro-3,5-dideoxy-beta-D-glycero-D-galacto-nonulopyranoside
C12H21NO7 (291.13179560000003)
Fasudil
C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
Cyproconazole
D016573 - Agrochemicals D010575 - Pesticides CONFIDENCE standard compound; EAWAG_UCHEM_ID 86
Prunit
D016573 - Agrochemicals D010575 - Pesticides CONFIDENCE standard compound; EAWAG_UCHEM_ID 3582
Diphenhydramine Hydrochloride
C17H22ClNO (291.13898320000004)
Diphenhydramine hydrochloride is a first-generation histamine H1-receptor antagonist with anti-cholinergic effect. Diphenhydramine hydrochloride can across the ovine blood-brain barrier (BBB)[1][2].
C15H17NO5_2,6-Piperidinedione, 4-[2-[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]-2-oxoethyl]
C15H17NO5_Benzoic acid, 4-[[tetrahydro-2-[(2E)-1-hydroxy-2-buten-1-yl]-5-oxo-3-furanyl]amino]
C15H17NO5_Benzoic acid, 4-[[tetrahydro-2-[(1E)-3-hydroxy-1-buten-1-yl]-5-oxo-3-furanyl]amino]
4-[[2-[(E)-1-hydroxybut-2-enyl]-5-oxooxolan-3-yl]amino]benzoic acid_major
3H-1,2,4-Triazol-3-one, 5-ethyl-2,4-dihydro-2-(3-hydroxypropyl)-4-(2-phenoxyethyl)-
S-(3-Methylbutanoyl)dihydrolipoyllysine
C13H25NO2S2 (291.13266300000004)
S-(2-Methylbutanoyl)dihydrolipoyllysine
C13H25NO2S2 (291.13266300000004)
(2R,4R)-tert-butyl 2-phenyl-4-vinylthiazolidine-3-carboxylate
C16H21NO2S (291.12929260000004)
Toyocamycin
C12H13N5O4 (291.09674980000005)
An N-glycosylpyrrolopyrimidine that is tubercidin in which the hydrogen at position 5 of the pyrrolopyrimidine moiety has been replaced by a cyano group. D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Toyocamycin (Vengicide) is an adenosine analog produced by Streptomyces diastatochromogenes, acts as an XBP1 inhibitor. Toyocamycin blocks RNA synthesis and ribosome function, and induces apoptosis. Toyocamycin affects IRE1α-XBP1 pathway, and inhibits XBP1 mRNA cleavage with an IC50 value of 80 nM with affecting IRE1α auto-phosphorylation. Toyocamycin specifically inhibits CDK9 with an IC50 value of 79 nM[1][2][3].
TRP-Ser
A dipeptide formed from L-tryptophan and L-serine residues.
Propanoic acid, 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-, 1,1-dimethylethyl ester, (2R)-
1-O-benzyl 3-O-methyl 4-oxopiperidine-1,3-dicarboxylate
(1S,4R)-METHYL 4-AMINOCYCLOPENT-2-ENECARBOXYLATE (2R,3R)-2,3-DIHYDROXYSUCCINATE
(R)-4-([1,1-BIPHENYL]-4-YL)-3-AMINOBUTANOIC ACID HYDROCHLORIDE
N-METHYL-GAMMA-(2-METHYLPHENOXY)BENZENEPROPANAMINE HYDROCHLORIDE
C17H22ClNO (291.13898320000004)
2-(4-CARBOXY-PHENYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
TRANS-1-BOC-2-PHENYL-PYRROLIDINE-3-CARBOXYLIC ACID
methyl 5,5,5-trifluoro-4-(4-methoxyanilino)pentanoate
Tripelennamine hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents Tripelennamine hydrochloride, an ethylenediamine derivative, is a potent histamine H1-receptor antagonist. Tripelennamine hydrochloride lessens the allergic response of the organism caused by histamine. Tripelennamine hydrochloride can be used for the research of rhinitis, conjunctivitis, and allergic and anaphylactic reactions[1][2][3].
N1-(1-ISOPROPYL-2-METHYLPROPYL)-2-BROMO-3,3-DIMETHYLBUTANAMIDE
1-butyl-1-methylpyrrolidin-1-ium,trifluoromethanesulfonate
C10H20F3NO3S (291.11159260000005)
tert-butyl 4-(4-formylpyridin-2-yl)piperazine-1-carboxylate
Carprazidil
C12H13N5O4 (291.09674980000005)
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent
2-Amino-5-[(3,4,5-Trimethoxyphenyl)Methyl]-1H-Pyrimidin-4-One
Propanoic acid, 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-, 1,1-dimethylethyl ester, (2S)-
N-(β-Methoxy-m-trifluoromethylphenethyl)carbamic acid ethyl ester
5-chloro-2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
3-DIBENZYLAMINO-2-FLUOROPROPIONIC ACID BENZYL ESTER
N-(2-ETHYLPHENYL)-3-HYDROXY-2-NAPHTHALENECARBOXAMIDE
1-AMINO-4-(ETHYLAMINO)-9,10-DIOXO-9,10-DIHYDROANTHRACENE-2-CARBONITRILE
2-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridine-6-carbaldehyde
N-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N-(1,3-thiazol-2-yl)ethane-1,2-diamine
C15H21N3OS (291.14052560000005)
Indeno[1,2-c]pyrazol-4(2H)-one, 5-amino-3-(4-methoxyphenyl)-
1-(4-chlorobenzyl)-(1H-1，2，4-triazol-yl)-pinacolone
2-(BOC-AMINO)-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBOXYLIC ACID
ethyl 1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxylate
(2,4-DIMETHOXYBENZYLIDENE)CARBAMICACIDCYCLOHEXYLESTER
1-Methyl-5-nitro-1H-benzimidazole-2-butanoic Acid Ethyl Ester
2-FLUORO-5-(TRIFLUOROMETHYL)-PYRIDINE-3-BORONIC ACID PINACOL ESTER
methyl 4-[(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)methyl]-3-fluorobenzoate
9-(4-chloro-3-methoxyphenyl)-3-azaspiro[5.5]undec-9-ene
C17H22ClNO (291.13898320000004)
Ethyl (1R,2S)-2-(Cbz-amino)cyclopentanecarboxylate
4-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-2-oxo-1H-quinoline-3-carboxamide
4-(2-(2,6-DIMETHYLPIPERIDIN-1-YL)-2-OXOETHOXY)BENZOIC ACID
1-(3-Hydroxyphenyl)-2-[methyl(phenylmethyl)amino]-ethanone hydrochloride
6-AMINO-1-HYDROXY-2,1-BENZOXABOROLANEHYDROCHLORIDE
1H-IMIDAZOLE-4-CARBOXYLIC ACID, 4,5-DIHYDRO-2-[[[(PHENYLMETHOXY)CARBONYL]AMINO]METHYL]-, METHYL ESTER, (S)-
N-Methyl-gamma-(2-methylphenoxy) phenylpropylamine hydrochloride
C17H22ClNO (291.13898320000004)
Acetamide,N-[(2-hydroxy-1-naphthalenyl)phenylmethyl]-
3-(2-HYDROXY-PHENYLCARBAMOYL)-1,2,2-TRIMETHYL-CYCLOPENTANECARBOXYLIC ACID
(2S,4S)-1-(TERT-BUTOXYCARBONYL)-4-PHENYLPYRROLIDINE-2-CARBOXYLIC ACID
N-BOC-5-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
benzyl 2-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
4-Methoxy-alpha-methyl-N-(phenylmethyl)benzeneethanamine hydrochloride
C17H22ClNO (291.13898320000004)
but-2-enedioic acid,2-(1H-indol-3-yl)ethylhydrazine
N-Methyl-N-(4-(2-biphenylyloxy)butyl)amine hydrochloride
C17H22ClNO (291.13898320000004)
(R)-(+)-2-Amino-3-methyl-1,1-diphenyl-1-butanol hydrochloride
C17H22ClNO (291.13898320000004)
3-Phenyl-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
Diethylthiambutene
C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
tert-butyl 4-(5-formylpyridin-2-yl)piperazine-1-carboxylate
(2R,5S)-1-(TERT-BUTOXYCARBONYL)-5-PHENYLPYRROLIDINE-2-CARBOXYLIC ACID
(2R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid
1-Benzyl 3-methyl 4-oxo-1,3-piperidinedicarboxylate
2-Cyclopropyl-4-(4-fluorophenyl)quinoline-3-carbaldehyde
(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-PHENYLPYRROLIDINE-3-CARBOXYLIC ACID
(1-(tert-Butoxycarbonyl)-7-methoxy-1H-indol-2-yl)boronic acid
3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
5-(1-methyl-1H-indole-3-carbonyl)-1H-benzo[d]imidazol-2(3H)-one
1-(tert-Butoxycarbonyl) 4-phenylpyrrolidine-3-carboxylic acid
ethyl 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)benzoate
1-(5-methoxy-1,5-dioxopentyl)-4(S)-phenyloxazolidin-2-one
1H-Pyrrole-3-carboxylicacid,4,5-diphenyl-,ethylester(9CI)
1-(tert-Butoxycarbonyl)-4-methoxy-1H-indol-2-ylboronic acid
(S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol hydrochloride
C17H22ClNO (291.13898320000004)
8-((TERT-BUTOXYCARBONYL)AMINO)-5,6,7,8-TETRAHYDRONAPHTHALENE-2-CARBOXYLIC ACID
N-cyclopropyl-3-(1H-indazol-6-yl)-4-methylbenzamide
N-cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide
2-amino-4-methoxy-5-(3-morpholinopropoxy)benzonitrile
1-[(TERT-BUTYL)OXYCARBONYL]-4-PHENYLPYRROLINE-3-CARBOXYLIC ACID
Atomoxetine Hydrochloride
C17H22ClNO (291.13898320000004)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C185721 - Norepinephrine Reuptake Inhibitor C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators Atomoxetine (Tomoxetine) hydrochloride is a selective noradrenaline reuptake inhibitor with Ki values of 5 nM, 77 nM and 1451 nM for norepinephrine (NE), serotonin (5-HT) and dopamine (DA) transporters, respectively. Atomoxetine hydrochloride is a potent Na+ channels (VGSCs) blocker. Atomoxetine hydrochloride can be used for attention-deficit hyperactivity disorder (ADHD) research[1][2][3].
(2R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpyrrolidine-2-carboxylic acid
(2S,4R)-Boc-4-Phenyl-pyrrolidine-2-carboxylic acid
3-(1-((Benzyloxy)carbonyl)piperidin-4-yl)propanoic acid
Ethyl (1S,2R)-2-(Cbz-amino)cyclopentanecarboxylate
4-(2,4-DIMETHOXYPHENYL)-1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-3-PYRIDINECARBOXYLIC ACID
2-Tert-Butyl 6-Methyl 3,4-Dihydroisoquinoline-2,6(1H)-Dicarboxylate
5-tert-Butyl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
(s)-tert-butoxycarbonylamino-indan-1-yl-acetic acid
3-Morpholinone, 4-[4-[(5R)-5-(aminomethyl)-2-oxo-3-oxazolidinyl]phenyl]-(R)-4-(4-(5-(Aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one
(R)-2-(benzofuran-2-yl)-2-((tert-butoxycarbonyl)amino)acetic acid
POLY(3,3,4,4-BIPHENYLTETRACARBOXYLIC DIANHYDRIDE-CO-1,4-PHENYLENEDIAMINE),AMIC ACID
2-(TERT-BUTOXYCARBONYLAMINO)-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBOXYLIC ACID
4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-[1,1-biphenyl]-4-carbonitrile
(s)-4-(4-(5-aminomethyl)-2-oxooxazolidin-3-yl)phenyl)morpholin-3-one
3-Borono-5-methoxy-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl) ester
1-(2-Adamantyl)-4-nitro-1H-pyrazole-3-carboxylic acid
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-sulfanylbutanoate
C13H25NO4S (291.15042100000005)
6-Chloro-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
4-Chloro-1-methylindole-2-boronic acid, pinacol ester
tert-butyl 3-(4-hydroxy-1,3-dioxoisoindol-2-yl)propanoate
Benzhydrol, α-(2-(dimethylamino)ethyl)-, hydrochloride
C17H22ClNO (291.13898320000004)
tert-Butyl 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate
4-(1-((TERT-BUTOXYCARBONYL)AMINO)CYCLOBUTYL)BENZOIC ACID
Benzenamine, N-(3-(dimethylamino)propyl)-4-nitro-2-(trifluoromethyl)-
1-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylpyrrolidine-3-carboxylic acid
7-Hydroxy-9-methyl-6-phenyl-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one
(R)-PIPERIDINE-1,3-DICARBOXYLIC ACID 1-BENZYL ESTER 3-ETHYL ESTER
3-(4-CARBOXY-PHENYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Methyl 1-(2-methyl-3-nitrophenyl)-4-oxocyclohexanecarboxylate
4-(4-ACETYL-1-PIPERAZINYL)-3-AMINO-BENZOIC ACID ETHYL ESTER
Danegaptide
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
Edonerpic
C16H21NO2S (291.12929260000004)
C26170 - Protective Agent > C1509 - Neuroprotective Agent
N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-(2-naphthyl)acetamide
N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
N-[(2-hydroxynaphthalen-1-yl)methylidene]pyridine-4-carbohydrazide
Butinoline
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
Clobutinol hydrochloride
D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents
2-(5-amino-1H-tetrazol-1-yl)-N-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]acetohydrazide
2-(Anilinomethylidene)-5-phenylcyclohexane-1,3-dione
8,9,13b,14-tetrahydro-6H-[1,2,4]triazolo[5,1:2,3]pyrimido[4,5:4,5]pyrido[2,1-a]isoquinolin-6-one
7-(4-Methoxyphenyl)-2-(1-pyrrolyl)-[1,2,4]triazolo[1,5-a]pyrimidine
(2S,3S)-2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine
2,4-Diamino-5-(3,4,5-trimethoxy-benzyl)-pyrimidin-1-ium
(2-Amino-3-phenyl-bicyclo[2.2.1]hept-2-YL)-phenyl-methanone
Befunolol
S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01ED - Beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent
2,6-Piperidinedione, 4-(2-(2-hydroxy-3-(hydroxymethyl)-5-methylphenyl)-2-oxoethyl)-
1,N6-Ethenoadenosine
C12H13N5O4 (291.09674980000005)
Toyokamycin
C12H13N5O4 (291.09674980000005)
D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents
2-hydroxy-3-methylbutanedioylcarnitine
C12H21NO7 (291.13179560000003)
1-(6-aminopurin-9-yl)-3-(hydroxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene-4,5-diol
C12H13N5O4 (291.09674980000005)
4-Amino-5-(2,5-diamino-5-oxopentanoyl)peroxy-5-oxopentanoic acid
(2r,3ar,6r,7r,7ar)-2-[(2s)-2-Amino-2-Carboxyethyl]-6,7-Dihydroxyhexahydro-2h-Furo[3,2-B]pyran-2-Carboxylic Acid
4-hydroxy-3-methoxybenzoic acid [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1H-quinazolin-4-one
2-[[4-Methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester
1-(Tert-butylamino)-3-[3-(trifluoromethyl)phenyl]thiourea
C12H16F3N3S (291.10169720000005)
5-ethyl-3-[[4-(2-methylpropoxy)phenyl]methylthio]-1H-1,2,4-triazole
C15H21N3OS (291.14052560000005)
Ala-Asp-Ser
A tripeptide composed of L-alanine, L-aspartic acid, and L-serine joined in sequence by peptide linkages.
Thr-Asp-Gly
A tripeptide composed of L-threonine, L-aspartic acid, and glycine joined by a peptide linkage.
2-fluoro-N-[3-hydroxy-2-(7-methoxy-1-naphthyl)propyl]acetamide
2-fluoro-N-[(2S)-3-hydroxy-2-(7-methoxy-1-naphthyl)propyl]acetamide
2-fluoro-N-[(2R)-3-hydroxy-2-(7-methoxy-1-naphthyl)propyl]acetamide
3-(1H-benzimidazol-2-yl)-6-methoxy-1-benzopyran-2-imine
5-methyl-3-[(4-pentoxyphenyl)methylthio]-1H-1,2,4-triazole
C15H21N3OS (291.14052560000005)
5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-furanyl)-4-oxazolecarbonitrile
2-(1,3-Benzoxazol-2-yl)-3-(4-hydroxy-2-methylanilino)acrylonitrile
2-(diphenylmethoxy)-N,N-dimethylethanaminium chloride
C17H22ClNO (291.13898320000004)
(3S)-1-[(4-methyl-5-isoquinolinyl)sulfonyl]-3-pyrrolidinamine
(3R)-1-[(4-methyl-5-isoquinolinyl)sulfonyl]-3-pyrrolidinamine
(allyl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosid)onate
4-methyl-N-[(3S)-3-pyrrolidinyl]-5-isoquinolinesulfonamide
(2S)-2-ammonio-6-[(2S)-2-ammonio-4-carboxylato-N-hydroxybutanamido]hexanoate
4-methyl-N-[(3R)-3-pyrrolidinyl]-5-isoquinolinesulfonamide
(3R)-7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyheptanoate
(3S,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyheptanoate
2-[4-[(1E,8E)-deca-1,8-dienyl]-2,5-dioxofuran-3-yl]acetate
(2S)-2-[2-[(5S)-5-amino-5-carboxypentyl]hydrazinyl]pentanedioic acid
(2S)-2-amino-6-[[(2S)-2-amino-4-carboxybutanoyl]oxyamino]hexanoic acid
(2S)-2-amino-6-[[(2S)-2-amino-4-carboxybutanoyl]-hydroxyamino]hexanoic acid
2-Ethoxycarbonyl-4-methoxycarbonyl-1-methyl-5-phenylpyrrolidine (2,4-trans-4,5-cis)
(2S)-N-Carbobenzoxy-2-(4-hydroxy-1-oxobutyl)pyrrolidine
3-[(Diethoxyphosphinyl)methyl]-5-pentyl-2-isoxazoline
C13H26NO4P (291.15993660000004)
N-((1R)-Phenylethyl)-trans-3,4-DI(methoxycarbonyl)pyrrolidine
S-(2-Methylbutanoyl)-dihydrolipoamide
C13H25NO2S2 (291.13266300000004)
S-(3-Methylbutanoyl)-dihydrolipoamide-E
C13H25NO2S2 (291.13266300000004)
N-acetyl-2,3-didehydro-2-deoxyneuraminic acid
D004791 - Enzyme Inhibitors
(1R,2R,3S,5R)-2-acetamido-7-(1,2-dihydroxyethyl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid
Desethylenenorfloxacin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
GS-441524
C12H13N5O4 (291.09674980000005)
A C-nucleoside analog that is (2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-carbonitrile substituted by a 4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl group at position 2. It is the active metabolite of remdesivir and exhibits a broad range of inhibitory activity against various RNA viruses including HCV, parainfluenza and SARS-CoV.
S(8)-(3-methylbutanoyl)dihydrolipoamide
C13H25NO2S2 (291.13266300000004)
S(8)-(2-methylbutanoyl)dihydrolipoamide
C13H25NO2S2 (291.13266300000004)
SKF 38393 (hydrochloride)
SKF 38393 hydrochloride is a selective agonist of the dopamine D1 receptor (D1DR) with an IC50 of 110 nM[1].
1-(1h-pyrrol-2-yl)-9h-pyrido[3,4-b]indol-6-yl acetate
3-{4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}prop-2-enenitrile
1-(pyrrolidin-1-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-[(1-hydroxyethylidene)amino]propanoic acid
6-hydroxy-4-{2-[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]-2-oxoethyl}-4,5-dihydro-3h-pyridin-2-one
methyl 3-(4-hydroxyphenyl)-2-(3-methyl-2-oxobutanamido)prop-2-enoate
3-[(2r)-2,3-dihydroxy-3-methylbutyl]-4-methoxy-1-methylquinolin-2-one
(2e)-1-(pyrrolidin-1-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
3-[(1r)-1-[(4r)-2-amino-4-ethenyl-4-hydroxy-5-oxocyclopent-1-en-1-yl]ethyl]-4-hydroxy-6-methylpyran-2-one
(3r,6r)-3-isopropyl-6-[(4-methoxyphenyl)methyl]-4-methylmorpholine-2,5-dione
3-[(2s)-2,3-dihydroxy-3-methylbutyl]-4-methoxy-1-methylquinolin-2-one
5-[(2e)-1-hydroxybut-2-en-1-yl]-4-{[4-(methoxymethyl)phenyl]amino}oxolan-2-one
8-hydroxy-10-methyl-1,9,12-triazatetracyclo[9.8.0.0²,⁷.0¹³,¹⁸]nonadeca-2,4,6,8,11,13,15,17-octaen-19-one
6-hydroxy-4-{2-[2-hydroxy-5-(hydroxymethyl)-3-methylphenyl]-2-oxoethyl}-4,5-dihydro-3h-pyridin-2-one
(1s,6s)-3-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-7-oxa-3-azabicyclo[4.1.0]heptan-2-one
4-{6-methoxy-9h-pyrido[3,4-b]indol-1-yl}-1h-pyrimidin-2-imine
5-(1-hydroxybut-2-en-1-yl)-4-{[4-(methoxymethyl)phenyl]amino}oxolan-2-one
10-[(2-phenylethyl)amino]-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,7,9-tetraen-11-one
(10s)-8-hydroxy-10-methyl-1,9,12-triazatetracyclo[9.8.0.0²,⁷.0¹³,¹⁸]nonadeca-2,4,6,8,11,13,15,17-octaen-19-one
3-[1-(2-amino-4-ethenyl-4-hydroxy-5-oxocyclopent-1-en-1-yl)ethyl]-4-hydroxy-6-methylpyran-2-one
13,13-dimethyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,11,14,16,18-heptaene
(1r,3r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 4-hydroxy-3-methoxybenzoate
(2e)-1-(pyrrolidin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
3,4-dimethoxy-5-methyl-6-[(3-methylbut-2-en-1-yl)oxy]-3h-isoindol-1-ol
4-({2-[(1e)-3-hydroxybut-1-en-1-yl]-5-oxooxolan-3-yl}amino)benzoic acid
3-{[(2r,3e)-2-(acetyloxy)-1-hydroxy-4-phenylbut-3-en-1-ylidene]amino}propanoic acid
4-{[(2s,3r)-2-[(1z,3r)-3-hydroxybut-1-en-1-yl]-5-oxooxolan-3-yl]amino}benzoic acid
4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
C12H13N5O4 (291.09674980000005)