Exact Mass: 247.09392699999998
Exact Mass Matches: 247.09392699999998
Found 500 metabolites which its exact mass value is equals to given mass value 247.09392699999998,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Linamarin
C10H17NO6 (247.10558220000001)
Linamarin is a beta-D-glucoside. It is functionally related to a 2-hydroxy-2-methylpropanenitrile. Linamarin is a natural product found in Osteospermum ecklonis, Lotus arenarius, and other organisms with data available. Linamarin is found in coffee and coffee products. Linamarin occurs in manioc (Manihot utilissimus), flax (Linum usitatissimum), Phaseolus lunatus (butter bean), Trifolium repens (white clover) and other plants. First isloated in 1830. Occurs in manioc (Manihot utilissimus), flax (Linum usitatissimum), Phaseolus lunatus (butter bean), Trifolium repens (white clover) and other plants. First isol in 1830. Linamarin is found in many foods, some of which are gooseberry, chinese broccoli, cascade huckleberry, and leek. Linamarin is found in coffee and coffee products. Linamarin occurs in manioc (Manihot utilissimus), flax (Linum usitatissimum), Phaseolus lunatus (butter bean), Trifolium repens (white clover) and other plants. First isloated in 1830. Linamarin, a natural compound, possesses anticancer activity[1]. Linamarin, a natural compound, possesses anticancer activity[1].
1-Nitropyrene
CONFIDENCE standard compound; INTERNAL_ID 34 D009676 - Noxae > D009153 - Mutagens
semustine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AD - Nitrosoureas C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
3-NITROFLUORANTHENE
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
N-(4-Coumaroyl)-L-homoserine lactone
An N-acyl-L-homoserine lactone having 4-coumaroyl as the acyl substituent.
Tinidazole
Tinidazole is only found in individuals that have used or taken this drug. It is a nitroimidazole antitrichomonal agent effective against Trichomonas vaginalis, Entamoeba histolytica, and Giardia lamblia infections. [PubChem]Tinidazole is a prodrug and antiprotozoal agent. The nitro group of tinidazole is reduced in Trichomonas by a ferredoxin-mediated electron transport system. The free nitro radical generated as a result of this reduction is believed to be responsible for the antiprotozoal activity. It is suggested that the toxic free radicals covalently bind to DNA, causing DNA damage and leading to cell death. The mechanism by which tinidazole exhibits activity against Giardia and Entamoeba species is not known, though it is probably similar. G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases > P01AB - Nitroimidazole derivatives J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01X - Other antibacterials > J01XD - Imidazole derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D009676 - Noxae > D000477 - Alkylating Agents
Threonylglutamine
C9H17N3O5 (247.11681520000002)
Threonylglutamine is a dipeptide composed of threonine and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Asparaginylaspartic acid
Asparaginylaspartic acid is a dipeptide composed of asparagine and aspartic acid. 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.
Aspartyl-Asparagine
Aspartyl-Asparagine is a dipeptide composed of aspartate 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.
Malonylcarnitine
C10H17NO6 (247.10558220000001)
Malonylcarnitine is a metabolite that accumulates with specific disruption of fatty-acid oxidation caused by impaired entry of long-chain acylcarnitine esters into the mitochondria and failure of the mitochondrial respiratory chain at complex 11 and malonyl-CoA decarboxylase (EC 4.1.1.9) deficiency (OMIM 248360). Malonylcarnitine has also been found to accumulate in some newborns with medium-chain acyl-CoA dehydrogenase (EC 1.3.99.3) deficiency (OMIM 201450). (PMID 11558490, 15303003, 12651823) [HMDB] Malonylcarnitine is a metabolite that accumulates with specific disruption of fatty-acid oxidation caused by the impaired entry of long-chain acylcarnitine esters into the mitochondria and failure of the mitochondrial respiratory chain at complex 11 and malonyl-CoA decarboxylase (EC 4.1.1.9) deficiency (OMIM: 248360). Malonylcarnitine has also been found to accumulate in some newborns with medium-chain acyl-CoA dehydrogenase (EC 1.3.99.3) deficiency (OMIM: 201450). (PMID:11558490, 15303003, 12651823).
Glutaminylthreonine
C9H17N3O5 (247.11681520000002)
Glutaminylthreonine is a dipeptide composed of glutamine and threonine. 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.
Threoninyl-Gamma-glutamate
C9H17N3O5 (247.11681520000002)
Threoninyl-Gamma-glutamate is a dipeptide composed of threonine 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.
(+-)-Carbovir
C11H13N5O2 (247.10691980000004)
2-Ethoxy-1-ethoxycarbonyl-1,2-dihydroquinoline
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D009676 - Noxae > D000477 - Alkylating Agents
1,4-dioxa-8-azaspiro[4.5]dec-8-yl(phenyl)methanone
N-(3-imidazol-1-ylpropyl)-3-nitropyridin-2-amine
C11H13N5O2 (247.10691980000004)
3-(4-methyl-2-oxo-3-phenyl-tetrahydro-[3]furyl)-propionic acid amide|3-(4-Methyl-2-oxo-3-phenyl-tetrahydro-[3]furyl)-propionsaeure-amid
5-hydroxy-3-(1,2-dihydroxyprop-1-enyl)-1-methylquinolin-4-one
2-(3-Hydroxy-3-methylbutyl)-6-hydroxy-4(1H)-quinolone
1-Methyl-3-hydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroquinoline-2,4-dione
2-(beta-D-glucopyranosyl)-3-isoxazolin-5-one|N-beta-D-Glucopyranosyl-2H-Oxo-5(4H)-Isoxazolone
2-(3-Hydroxy-3-methylbutyl)-7-hydroxy-4(1H)-quinolone
ethyl 6-methoxy-2-oxo-1,2-dihydroquinoline-4-carboxylate
1-Isothiocyanato-9-(methylsulfinyl)-nonane
Acquisition and generation of the data is financially supported in part by CREST/JST.
tinidazole
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases > P01AB - Nitroimidazole derivatives J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01X - Other antibacterials > J01XD - Imidazole derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D009676 - Noxae > D000477 - Alkylating Agents
Linamarin
C10H17NO6 (247.10558220000001)
Linamarin, a natural compound, possesses anticancer activity[1]. Linamarin, a natural compound, possesses anticancer activity[1].
Malonylcarnitine
C10H17NO6 (247.10558220000001)
Asn-asp
A dipeptide composed of L-asparagine and L-aspartic acid joined by a peptide linkage.
Thr-Gln
C9H17N3O5 (247.11681520000002)
A dipeptide formed from L-threonine and L-glutamine residues.
THR-GGlu
C9H17N3O5 (247.11681520000002)
GGlu-Thr
C9H17N3O5 (247.11681520000002)
CAR 3:1;O2
C10H17NO6 (247.10558220000001)
2,5-dihydro-pyrrole-1,3-dicarboxylic acid 1-benzylester
Thiourea, N-(1-methyl-1H-pyrazol-3-yl)-N-(4-pyridinylmethyl)- (9CI)
C11H13N5S (247.08916180000003)
Thiourea, N-(1-methyl-1H-pyrazol-3-yl)-N-(2-pyridinylmethyl)- (9CI)
C11H13N5S (247.08916180000003)
Benzenebutanoic acid, β-amino-2,4,5-trifluoro-, methyl ester, (βR)-
C11H12F3NO2 (247.08200879999998)
3-(((5-METHYLTHIEN-2-YL)METHYL)AMINO)BENZOIC ACID
C13H13NO2S (247.06669580000002)
2-(2-METHOXY-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
TRANS-2,6-DIFLUORO-4-(4-VINYL-CYCLOHEXYL)-BENZONITRILE
Carbovir
C11H13N5O2 (247.10691980000004)
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides C254 - Anti-Infective Agent > C281 - Antiviral Agent
2-chloro-N-(1-hydroxy-2,2,6,6-tetramethyl-4-piperidyl)acetamide
C11H20ClN2O2 (247.12132300000002)
Benzenesulfonamide,N-(2-methylphenyl)-
C13H13NO2S (247.06669580000002)
N-(3-chloropropyl)-1-phenylpropan-2-amine,hydrochloride
2-(4-FLUOROPHENYL)-5-(PIPERIDIN-4-YL)-1,3,4-OXADIAZOLE
C13H14FN3O (247.11208459999997)
1H-Indole-1-carboxylic acid, 5-(hydroxyMethyl)-, 1,1-dimethylethyl ester
tert-Butyl 6-(hydroxymethyl)-1H-indole-1-carboxylate
tert-Butyl 4-(hydroxymethyl)-1H-indole-1-carboxylate
tert-Butyl 4-(chlorocarbonyl)-piperidine-1-carboxylate
ethyl 3-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-propanoate
METHYL 2-METHYL-8-OXO-5,6,7,8-TETRAHYDRO-1-OXA-7A-AZAINDACENE-4-CARBOXYLATE
2-Thiazolecarboxylic acid,4-(4-methylphenyl)-,ethyl ester
C13H13NO2S (247.06669580000002)
4-[4-(1-METHYLETHYL)PHENYL]-2-THIAZOLECARBOXYLICACID
C13H13NO2S (247.06669580000002)
1-fluoro-2-nitro-3-phenylmethoxybenzene
C13H10FNO3 (247.06446820000002)
6-methyl-2-(4-methylphenyl)-1,3,6,2-dioxazaborocane-4,8-dione
2-AMINO-4-P-TOLYL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
C13H13NO2S (247.06669580000002)
2-AMINO-5-BENZYL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
C13H13NO2S (247.06669580000002)
1-ethyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbohydrazide
ETHANONE, 1-(3,4-DIHYDRO-6,7-DIMETHOXY-1-METHYLENE-2(1H)-ISOQUINOLINYL)-
2-(O-TOLYL)THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
C13H13NO2S (247.06669580000002)
3-Isopropyl-d7-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide
5-chloro-2-octyl-1,2-thiazol-3-one
C11H18ClNOS (247.07975679999998)
ETHYL 7,7-DIMETHYL-5-OXO-5,6,7,8-TETRAHYDROQUINOLINE-3-CARBOXYLATE
ETHYL 2-(P-TOLYL)THIAZOLE-4-CARBOXYLATE
C13H13NO2S (247.06669580000002)
3-AMINO-3-(4-PHENYL-THIOPHEN-2-YL)-PROPIONIC ACID
C13H13NO2S (247.06669580000002)
4-(CYANO-DIMETHYL-METHYL)-2-ETHOXY-BENZOIC ACID METHYL ESTER
METHYL 2-(6-FLUORO-2,3-DIHYDRO-1H-PYRROLO[1,2-A]INDOL-1-YL)ACETATE
2-chloro-5-(chloromethyl)-Nneopentylpyrimidin-4-amine
C10H15Cl2N3 (247.06429699999998)
[amino(anilino)methylidene]-phenylazanium,chloride
5-(1,3-DIOXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PENTANOIC ACID
4-(3,4-DIFLUORO-BENZYL)-PIPERIDINEHYDROCHLORIDE
C12H16ClF2N (247.09392699999998)
ethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate
C13H13NO2S (247.06669580000002)
3-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanoic acid
CX 614
CX614 is a positive variant modulator of AMPA receptors that enhances excitatory postsynaptic potentials (amplitude and duration) by blocking and slowing the inactivation of responses to glutamate and automatically evokes excitatory postsynaptic currents in neuronal cultures. CX614 can be used in the study of psychiatric disorders such as depression[1][2].
2-(1H-PYRROL-1-YL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLIC ACID
C13H13NO2S (247.06669580000002)
N-(2-amino-4,6-dihydroxy-pyrimidin-5-yl)pyridine-3-carboxamide
2-{[(3-methyl-2-thienyl)methyl]amino}benzoic acid
C13H13NO2S (247.06669580000002)
Ethyl 2-amino-5-phenylthiophene-3-carboxylate
C13H13NO2S (247.06669580000002)
3-Pyridazinamine, 6-[[(4-methoxyphenyl)methyl]thio]-
Cyclohexanecarboxylic acid, 4-cyano-3-fluorophenyl ester
Methyl 1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridine-3-carboxylate
C13H10FNO3 (247.06446820000002)
4-ALLYL-5-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
C13H15BFNO2 (247.11798120000003)
Ethyl 8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
3-Fluoro-1,3-piperidinedicarboxylic acid 1-tert-butyl ester
benzyl 2-(dimethylaminomethylidene)-3-oxobutanoate
ethyl 3-(4-hydroxyphenyl)-5-methylisoxazole-4-carboxylate
N-Methyl-N-phenylbenzenesulfonamide
C13H13NO2S (247.06669580000002)
(+/-)-THIOMORPHOLINE-3,4-DICARBOXYLICACID4-TERT-BUTYLESTER
(4-((2,2,2-TRIFLUOROETHYL)CARBAMOYL)PHENYL)BORONIC ACID
C9H9BF3NO3 (247.06275499999998)
Ethyl 2-amino-4-phenyl-3-thiophenecarboxylate
C13H13NO2S (247.06669580000002)
1-OXO-SPIRO[CYCLOHEXANE-1,3(1H)-FURO[3,4-C]PYRIDINE]-4-CARBOXYLICACID
4-ALLYL-5-(2-METHOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
C13H15BFNO2 (247.11798120000003)
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid
3-Cyano-4-Fluorophenylboronic Acid, Pinacol Ester
C13H15BFNO2 (247.11798120000003)
ethyl 7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetate
C13H13NO2S (247.06669580000002)
4-amino-4-(2-carboxyethyl)heptanedioic acid
C10H17NO6 (247.10558220000001)
ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
C13H13NO2S (247.06669580000002)
SR 57227 hydrochloride
C10H15Cl2N3 (247.06429699999998)
SR 57227A is a potent, orally active and selective 5-HT3 receptor agonist, with ability to cross the blood brain barrier. SR 57227A has affinities (IC50) varying between 2.8 and 250 nM for 5-HT3 receptor binding sites in rat cortical membranes and on whole NG 108-15 cells or their membranes. Anti-depressant effects[1][2].
4-(Benzyloxy)-1-fluoro-2-nitrobenzene
C13H10FNO3 (247.06446820000002)
1H-Benzimidazol-5-amine,2-ethyl-1-methyl-(9CI)
C10H15Cl2N3 (247.06429699999998)
2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
C10H15Cl2N3 (247.06429699999998)
3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
C13H15BFNO2 (247.11798120000003)
1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid
5-Nitro-3-(piperazin-1-yl)-1H-indazole
C11H13N5O2 (247.10691980000004)
ethyl 3-amino-3-(3-fluorophenyl)propanoate,hydrochloride
C11H15ClFNO2 (247.07752920000001)
2-PROPANAMIDO-7-METHOXY-3,4-DIHYDRONAPHTHALEN-1-(2H)-ONE
(S)-3-(4-ACETYLPHENYL)-4-ISOPROPYLOXAZOLIDIN-2-ONE
tert-butyl 2-(2-chloroacetyl)pyrrolidine-1-carboxylate
6-Methoxycarbonylindole-2-carboxylic acid ethyl ester
2-methyl-N-(4-phenylthiazol-2-yl)propane-1,2-diamine
7-Benzyl-8-hydroxy-1-oxa-7-azaspiro[4.4]nonan-6-one
Benzyl 5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
(Z)-4-(2,4-DIMETHOXYBENZYLIDENE)-2-METHYLOXAZOL-5(4H)-ONE
Methyl 3-amino-4-(2,4,5-trifluorophenyl)butanoate
C11H12F3NO2 (247.08200879999998)
INDOLE-2,4-DICARBOXYLIC ACID 2-ETHYL ESTER 4-METHYL ESTER
(R)-METHYL 5-OXO-1-((R)-1-PHENYLETHYL)PYRROLIDINE-3-CARBOXYLATE
(3S)-3,4-DIHYDRO-5-METHOXY-2H-1-BENZOPYRAN-3-AMINE
Benzenesulfonamide,N-(phenylmethyl)-
C13H13NO2S (247.06669580000002)
diethyl 2-(1-nitroethyl)butanedioate
C10H17NO6 (247.10558220000001)
5-METHOXY-2-METHYL-1-PROPYL-1H-INDOLE-3-CARBOXYLIC ACID
4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
C13H15BFNO2 (247.11798120000003)
4-Chloro-6-methyl-5-(2-methylbenzyl)-2-pyrimidinamine
4-Cyano-3-fluorophenylboronic acid pinacol ester
C13H15BFNO2 (247.11798120000003)
Thiourea, N-(1-methyl-1H-pyrazol-3-yl)-N-(3-pyridinylmethyl)- (9CI)
C11H13N5S (247.08916180000003)
2-AMINO-4-M-TOLYL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
C13H13NO2S (247.06669580000002)
1,2-DIHYDRO-4-HYDROXY-1-METHYL-2-OXO-3-QUINOLINECARBOXYLIC ACID ETHYL ESTER
[4-(3-Methyoxypropoxy)-3-methyl-2-pyridinyl]methanol hydrochloride
2-AMINO-5-METHYL-4-PHENYL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
C13H13NO2S (247.06669580000002)
4-(5-chloro-2-pyridylazo)benzene-1,3-diamine
C11H10ClN5 (247.06246900000002)
2-[2-[2-(methylamino)-2-oxoethyl]benzimidazol-1-yl]acetic acid
1-aMino-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxaMide
Methyl 3-(2-Methoxyphenyl)-5-Methylisoxazole-4-carboxylate
3-HYDROXY-3-(2-OXO-PROPYL)-1-PROPYL-1,3-DIHYDRO-INDOL-2-ONE
4-Chloro-6-methyl-5-(4-methylbenzyl)-2-pyrimidinamine
1-(4-Propylphenyl)-5-oxopyrrolidine-3-carboxylic acid
ETHYL 2-M-TOLYLTHIAZOLE-4-CARBOXYLATE
C13H13NO2S (247.06669580000002)
2-(4-METHYLPHENYL)-2-PHENYLETHYLAMINE HYDROCHLORIDE
1-(4-Isopropylphenyl)-5-oxopyrrolidine-3-carboxylic acid
5-[4-(TERT-BUTYL)PHENYL]-4-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Varenicline (Hydrochloride)
Varenicline (CP 526555) is an orally active partial agonist of α4β2 nicotinic acetylcholine receptor (α4β2 nAChR, IC50 = 250 nM), which is the principal mediator of nicotine dependence. Varenicline is also a partial agonist of α6β2 nAChR and a full agonist of α6β2 nAChR. Varenicline blocks the direct agonist effects of nicotine on nAChR while stimulates nAChR in a more moderate way, being widely used as an aid of smoking cessation[1][2][3][4][5].
Ethyl-1-(3-methoxyphenyl)-1H-1,2,4-triazole-3- carboxylate
Aciclovir sodium
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
6-FORMYL-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
N-tert-Butoxycarbonyl-L-aspartic acid 1-methyl ester
C10H17NO6 (247.10558220000001)
2-chloro-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
2,4,5-trifluoro-n-(1-hydroxy-2-methylpropan-2-yl)benzamide
C11H12F3NO2 (247.08200879999998)
Isoprenaline hydrochloride
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents Isoprenaline (Isoproterenol) hydrochloride is a non-selective, orally active β-adrenergic receptor agonist. Isoprenaline has potent peripheral vasodilator, bronchodilator, and cardiac stimulating activities. Isoprenaline can be used for the research of bradycardia and bronchial asthma[1][2][3][4][5][6].
ETHYL 2-ANILINO-4-OXO-4,5-DIHYDRO-3-FURANCARBOXYLATE
(4-(PHENYLSULFONYL)PHENYL)METHANAMINE
C13H13NO2S (247.06669580000002)
D-ASPARTIC ACID, N-[(1,1-DIMETHYLETHOXY)CARBONYL]-, 4-METHYL ESTER
C10H17NO6 (247.10558220000001)
1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol
C10H12F3N3O (247.09324179999996)
2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetohydrazide
7-Chloro-4-(piperazin-1-yl)quinoline
7-Chloro-4-(piperazin-1-yl)quinolone is an important scaffold in medicinal chemistry. 7-Chloro-4-(piperazin-1-yl)quinolone is a potent sirtuin inhibitor and also inhibits the serotonin uptake (IC50 of 50 μM). 7-Chloro-4-(piperazin-1-yl)quinolone exhibits antimalarial activity on D10 and K1 strains of P. falciparum with IC50s of 1.18 μM and 0.97 μM, respectively[1].
Cyclopropanamine,2-fluoro-,(1S,2R)-,4-methylbenzenesulfonate(9CI)
ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate
C13H13NO2S (247.06669580000002)
cis-1-(tert-butoxycarbonyl)-3-fluoropiperidine-4-carboxylic acid
(S)-2-(((benzyloxy)carbonyl)aMino)pent-4-ynoic acid
(R)-2-(((benzyloxy)carbonyl)aMino)pent-4-ynoic acid
2-chloro-N-ethyl-N-[(2-methylphenyl)methyl]ethanamine,hydrochloride
1-(Benzyloxy)-2-fluoro-4-nitrobenzene
C13H10FNO3 (247.06446820000002)
(2S,4S)-1-(TERT-BUTOXYCARBONYL)-4-FLUOROPIPERIDINE-2-CARBOXYLIC ACID
4-((S)-1-AMINO-2,2,2-TRIFLUORO-ETHYL)-BENZOIC ACID ETHYL ESTER
C11H12F3NO2 (247.08200879999998)
2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
C13H15BFNO2 (247.11798120000003)
3-(METHYLSULFONYL)-1,1-BIPHENYL-4-AMINE
C13H13NO2S (247.06669580000002)
1-[1,3]Oxazolo[4,5-b]pyridin-2-ylpiperidine-4-carboxylic acid
Ethyl 1-(N,N-dimethylsulfamoyl)-1H-imidazole-4-carboxylate
2-(Benzyloxy)-4-fluoro-1-nitrobenzene
C13H10FNO3 (247.06446820000002)
6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-[1,2,5]OXADIAZOLO[3,4-B]PYRIDINE
2-Cyano-3-fluorophenylboronic acid pinacol ester
C13H15BFNO2 (247.11798120000003)
2-Cyano-4-fluorophenylboronic acid pinacol ester
C13H15BFNO2 (247.11798120000003)
4-chloro-2-octyl-2H-isothiazol-3-one
C11H18ClNOS (247.07975679999998)
2-BUTYL-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXYLIC ACID
6-[3-(TETRAHYDRO-PYRAN-2-YLOXY)-PROPENYL]-PYRIDINE-2-CARBALDEHYDE
methoxamine hydrochloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
4-(BENZYLOXY)-2-FLUORO-1-NITROBENZENE
C13H10FNO3 (247.06446820000002)
2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoic acid
C10H17NO6 (247.10558220000001)
Ethyl 1,4-dihydro-6-methoxy-4-oxoquinoline-3-carboxylate
Methyl 2-amino-4-(4-fluorophenyl)pyrimidine-5-carboxylate
C12H10FN3O2 (247.07570120000003)
4-(4-Amino-3-fluorophenoxy)-pyridine-2-carboxylic acid amide
C12H10FN3O2 (247.07570120000003)
CX546
CX546 is a first-generation and selective benzamide-type positive AMPAR modulator. CX546 is a prototypical ampakine agent and has antipsychotic effects[1][2].
2-((TERT-BUTOXYCARBONYL)AMINO)-4-METHOXY-4-OXOBUTANOIC ACID
C10H17NO6 (247.10558220000001)
5-[2-(Cbz-amino)ethyl]-1H-tetrazole
C11H13N5O2 (247.10691980000004)
2-(4-(TRIFLUOROMETHOXY)PHENYL)MORPHOLINE
C11H12F3NO2 (247.08200879999998)
4-(1-Cyanocyclobutylamino)-2-fluoro-n-methylbenzamide
C13H14FN3O (247.11208459999997)
3-[(2-Nitro-1H-imidazol-1-yl)methoxy]-1,2,4-butanetriol
Benzo[b]thiophen-2-yl(morpholino)methanone
C13H13NO2S (247.06669580000002)
Ethyl 3-amino-5-phenylthiophene-2-carboxylate
C13H13NO2S (247.06669580000002)
Methyl 2-(2-methylquinolin-4-ylthio)acetate
C13H13NO2S (247.06669580000002)
1-Ethyl-6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
(2S)-2-(carbamoylamino)-3-(1H-indol-3-yl)propanoic acid
4-butyl-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione
2-[(2E)-2-(1,4-dimethylquinolin-2-ylidene)ethylidene]propanedinitrile
Ala-Ala-Ser
C9H17N3O5 (247.11681520000002)
A tripeptide composed of two L-alanyl units and an L-serine joined by peptide linkages.
2-Acetamido-2-(hydroxymethyl)propanedioic acid diethyl ester
C10H17NO6 (247.10558220000001)
5-methyl-N-[2-(methylthio)phenyl]-2-furancarboxamide
C13H13NO2S (247.06669580000002)
2-[2-(3,5-Dimethylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
C13H13NO2S (247.06669580000002)
(4S)-4-benzyl-3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
1H-Indole-1-acetic acid, trimethylsilyl ester
C13H17NO2Si (247.10285020000003)
Methyl 4-methyl-4-nitroso-2-trimethylsiloxy-pentanoate
1H-Indole-2-carboxylic acid, 1-methyl-, trimethylsilyl ester
C13H17NO2Si (247.10285020000003)
6-(2-Phenoxyethoxy)-1,3,5-Triazine-2,4-Diamine
C11H13N5O2 (247.10691980000004)
(3ar,5r,6s,7r,7ar)-5-(Hydroxymethyl)-2-Propyl-5,6,7,7a-Tetrahydro-3ah-Pyrano[3,2-D][1,3]thiazole-6,7-Diol
(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid
4-(2,2,2-Trifluoroethyl)-L-phenylalanine
C11H12F3NO2 (247.08200879999998)
2,3,6A,7,8,9-Hexahydro-11H-[1,4]dioxino[2,3-G]pyrrolo[2,1-B][1,3]benzoxazin-11-one
3-[4-Hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-oxopropanoate
(2S)-2-azaniumyl-5-{[(1S,2R)-1-carboxylato-2-hydroxypropyl]amino}-5-oxopentanoate
ethyl (7Z)-7-hydroxyimino-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate
N-(1,2-dihydroacenaphthylen-5-yl)methanesulfonamide
C13H13NO2S (247.06669580000002)
N-methyl-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide
C13H13NO2S (247.06669580000002)
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylthiazole
C13H13NO2S (247.06669580000002)
3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
5-Amino-4-(1,3-benzodioxol-5-ylhydrazo)-3-pyrazolone
(2S,3R)-3-[(2-nitroimidazol-1-yl)methoxy]butane-1,2,4-triol
4-methyl-2-nitro-6-[(4H-1,2,4-triazol-4-ylimino)methyl]phenol
1-[(E)-(2,4-dimethylphenyl)methylideneamino]-3-prop-2-enylthiourea
(2E)-1-(4-methoxyphenyl)-3-(morpholin-4-yl)prop-2-en-1-one
N-cyclohexyl-6-methyl-4-thieno[2,3-d]pyrimidinamine
3-acetamido-3,5-dideoxy-L-lyxo-hept-6-ulopyranosuronic acid
5-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]pentanoate
(4R)-4-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxypentanoate
(4R)-3-(Tert-butoxycarbonyl)-4-hydroxymethyl-2,2-dimethyl-1,3-thiazolidine
1H-Indole-2,3-dione, 5,7-dimethyl-1-(trimethylsilyl)-
C13H17NO2Si (247.10285020000003)
1H-Indole-2,3-dione, 5-ethyl-1-(trimethylsilyl)-
C13H17NO2Si (247.10285020000003)
5-(3-Hydroxy-3,4,4-trimethyl-1-pentynyl)pyridine-2-carboxylic acid
1-Acetyl-4-(2-pyridyl)-2-pyrazoline-3-carboxylic acid methyl ester
(3R)-4-(Tert-butylthio)-3-ethoxycarbonylamino-2-butanone
8-Aza-8-phenyl-6,7-benzo-bicyclo(3,2,1)-3-EN-2-one
semustine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AD - Nitrosoureas C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents D000970 - Antineoplastic Agents
L-gamma-Glu-L-Thr(1-)
A peptide anion obtained by deprotonation of both carboxy groups and protonation of the glutamyl amino group of L-gamma-Glu-L-Thr. Major species at pH 7.3.
O-Malonyl-L-carnitine
C10H17NO6 (247.10558220000001)
An O-acyl-L-carnitine in which the acyl group is specified as malonyl.
O-malonylcarnitine
C10H17NO6 (247.10558220000001)
An O-acylcarnitine having malonyl as the acyl substituent.
(3S)-3-[(2-carboxyacetyl)oxy]-4-(trimethylazaniumyl)butanoate
C10H17NO6 (247.10558220000001)
oscr#9(1-)
A hydroxy fatty acid ascaroside anion resulting from the deprotonation of the carboxy group of oscr#9. The conjugate base of oscr#9 and the major species at pH 7.3.
S-octanoyl-L-cysteine
An L-cysteine derivative obtained by formal condensation of the carboxy group of octanoic acid with the side-chain thiol group of L-cysteine.
CPCCOEt
CPCCOEt is a low affinity, selective, non-competitive and reversible antagonist of metabotropic glutamate receptor 1b (mGluR1b)[1][2].
UBCS039
UBCS039 is the first synthetic, specific Sirtuin 6 (SIRT6) activator, inducing autophagy in human tumor cells, with an EC50 of 38 μM[1].
(1s,2s,4s,8s)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.0¹,¹¹.0²,⁷]pentadeca-9,11-dien-13-one
4-methoxy-14-oxa-7-azatetracyclo[6.6.1.0¹,¹¹.0²,⁷]pentadeca-9,11-dien-13-one
6-hydroxy-2-(3-hydroxy-3-methylbutyl)-3h-quinolin-4-one
(8s)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.0¹,¹¹.0²,⁷]pentadeca-9,11-dien-13-one
1-(2h-1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)ethanone
(3r)-3-hydroxy-1-methyl-3-(2-oxopropyl)quinoline-2,4-dione
(5r)-5-[(4s)-8-hydroxy-1h,4h,5h,6h-pyrrolo[2,3-c]azepin-4-yl]-2-imino-1,5-dihydroimidazol-4-ol
C11H13N5O2 (247.10691980000004)
(4s)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.0¹,¹¹.0²,⁷]pentadeca-9,11-dien-13-one
(2z)-3-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)prop-2-enimidic acid
7-hydroxy-2-(3-hydroxy-3-methylbutyl)-1h-quinolin-4-one
3-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)prop-2-enimidic acid
(2s)-2-[(3-carboxy-1-hydroxypropylidene)amino]pentanedioic acid
(2e)-3-(2h-1,3-benzodioxol-5-yl)-n-(2-methylpropyl)prop-2-enimidic acid
4,11-bis(hydroxymethyl)-2-oxa-8-azatricyclo[7.4.0.0³,⁷]trideca-1(13),6,9,11-tetraen-5-one
(3s,4s)-4,11-bis(hydroxymethyl)-2-oxa-8-azatricyclo[7.4.0.0³,⁷]trideca-1(13),6,9,11-tetraen-5-one
(2r)-2-{[(1s)-1-carboxy-2-methylpropyl]amino}pentanedioic acid
C10H17NO6 (247.10558220000001)
7-hydroxy-2-(3-hydroxy-3-methylbutyl)-3h-quinolin-4-one
(2s)-2-{[(2s)-2-amino-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene]amino}butanedioic acid
n-[3-(5-hydroxy-2-imino-3h-imidazol-4-ylidene)propyl]-1h-pyrrole-2-carboxamide
C11H13N5O2 (247.10691980000004)
(2r,4r,8s)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.0¹,¹¹.0²,⁷]pentadeca-9,11-dien-13-one
2-[(1-carboxy-2-methylpropyl)amino]pentanedioic acid
C10H17NO6 (247.10558220000001)
(2s,4s)-5-hydroxy-4-[(2r,3s,4r)-2,3,4-trihydroxyoxolan-2-yl]-3,4-dihydro-2h-pyrrole-2-carboxylic acid
(5s)-5-[(4s)-8-hydroxy-1h,4h,5h,6h-pyrrolo[2,3-c]azepin-4-yl]-2-imino-1,5-dihydroimidazol-4-ol
C11H13N5O2 (247.10691980000004)
6-hydroxy-2-(3-hydroxy-3-methylbutyl)-1h-quinolin-4-one
(1s,2r,4s,8s)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.0¹,¹¹.0²,⁷]pentadeca-9,11-dien-13-one
n-{3-[(4z)-5-hydroxy-2-imino-3h-imidazol-4-ylidene]propyl}-1h-pyrrole-2-carboxamide
C11H13N5O2 (247.10691980000004)