Exact Mass: 247.0779
Exact Mass Matches: 247.0779
Found 500 metabolites which its exact mass value is equals to given mass value 247.0779,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Linamarin
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].
Forchlorfenuron
CONFIDENCE standard compound; INTERNAL_ID 811; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8757; ORIGINAL_PRECURSOR_SCAN_NO 8756 CONFIDENCE standard compound; INTERNAL_ID 811; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8835; ORIGINAL_PRECURSOR_SCAN_NO 8832 CONFIDENCE standard compound; INTERNAL_ID 811; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4401; ORIGINAL_PRECURSOR_SCAN_NO 4396 CONFIDENCE standard compound; INTERNAL_ID 811; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4419; ORIGINAL_PRECURSOR_SCAN_NO 4414 CONFIDENCE standard compound; INTERNAL_ID 811; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4428; ORIGINAL_PRECURSOR_SCAN_NO 4427 CONFIDENCE standard compound; INTERNAL_ID 811; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8765; ORIGINAL_PRECURSOR_SCAN_NO 8763 CONFIDENCE standard compound; INTERNAL_ID 811; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4391; ORIGINAL_PRECURSOR_SCAN_NO 4390 CONFIDENCE standard compound; INTERNAL_ID 811; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8800; ORIGINAL_PRECURSOR_SCAN_NO 8798 CONFIDENCE standard compound; INTERNAL_ID 811; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4416; ORIGINAL_PRECURSOR_SCAN_NO 4415 CONFIDENCE standard compound; INTERNAL_ID 811; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8810; ORIGINAL_PRECURSOR_SCAN_NO 8809 CONFIDENCE standard compound; INTERNAL_ID 811; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8790; ORIGINAL_PRECURSOR_SCAN_NO 8788 CONFIDENCE standard compound; INTERNAL_ID 811; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4435; ORIGINAL_PRECURSOR_SCAN_NO 4431 D006133 - Growth Substances > D010937 - Plant Growth Regulators CONFIDENCE standard compound; EAWAG_UCHEM_ID 3601 Forchlorfenuron is plant growth regulator and cytokinin; can be used to increase fruit size of fruits, such as kiwi fruit and grapes.
Emtricitabine
Emtricitabine is only found in individuals that have used or taken this drug. It is a nucleoside reverse transcriptase inhibitor (NRTI) for the treatment of human immunodeficiency virus type 1 (HIV-1) infection in adults. Emtricitabine works by inhibiting reverse transcriptase (RT), an enzyme that allows the virus to multiply by copying HIV RNA into new viral DNA. The drug competes with the reverse transcriptases natural substrate deoxycytidine 5-triphosphate and also becomes incorporated into viral DNA. This is a result of emtricitabine being a synthetic nucleoside analogue of cytidine. It is phosphorylated by cellular enzymes to form emtricitabine 5-triphosphate which competes with the natural substrate deoxycytidine 5-triphosphate and becomes incorporated into nascent viral DNA, resulting in early chain termination. By inhibiting HIV-1 reverse transcriptase, emtricitabine can help to lower the amount of HIV (viral load) in a patients body and can indirectly increase the number of immune system cells (T cells or CD4+ T-cells). Both of these changes are associated with healthier immune systems and a decreased likelihood of serious illness. Emtricitabine is always used in conjunction with other HIV medicine to treat people with HIV infection. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 3106 Same as: D01199
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.
Forchlorfenuron
Forchlorfenuron is a member of the class of phenylureas that is urea substituted by a phenyl group and a 2-chloropyridin-4-yl group at positions 1 and 3 respectively. It is a plant growth regulator widely used in agriculture for improving fruit quality and fruit size. It has a role as a plant growth regulator. It is a member of phenylureas and a monochloropyridine. Forchlorfenuron is a diphenylurea-derivative cytokinin growth stimulating substance used as plant growth regulator (PGR) to enhance fruit set, size and increase yields. It is absorbed by most plant parts and acts synergistically with natural auxins to promote cell division and growth. It has been approved for use on kiwi fruit and grapes in the USA, and it has been associated with exploding watermelons in China. Forchlorfenuronis is commonly used in horticulture to stimulate the growth of kiwi fruit and grapes. D006133 - Growth Substances > D010937 - Plant Growth Regulators Forchlorfenuron is plant growth regulator and cytokinin; can be used to increase fruit size of fruits, such as kiwi fruit and grapes.
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
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
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
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
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.
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
ent-Emtricitabine
2-Hydroxy-4-(3-azidomethylphenyl)-4-oxo-2-butenoic acid
Fluoroazomycin arabinoside
Benzamide, N-[thioxo(1H-1,2,4-triazol-3-ylamino)methyl]-
5-hydroxy-3-(1,2-dihydroxyprop-1-enyl)-1-methylquinolin-4-one
1-Methyl-3-hydroxy-3-(2-oxopropyl)-1,2,3,4-tetrahydroquinoline-2,4-dione
4-hydroxy-4-(1H-indol-3-yl)-5-thioxoimidazolidin-2-one
2-(beta-D-glucopyranosyl)-3-isoxazolin-5-one|N-beta-D-Glucopyranosyl-2H-Oxo-5(4H)-Isoxazolone
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
Forchlorfenuron
Forchlorfenuron is plant growth regulator and cytokinin; can be used to increase fruit size of fruits, such as kiwi fruit and grapes.
5-Chlorosalicylanilide
CONFIDENCE standard compound; INTERNAL_ID 1371; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4680; ORIGINAL_PRECURSOR_SCAN_NO 4677 CONFIDENCE standard compound; INTERNAL_ID 1371; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4721; ORIGINAL_PRECURSOR_SCAN_NO 4719 ORIGINAL_ACQUISITION_NO 4721; CONFIDENCE standard compound; INTERNAL_ID 1371; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 4719 CONFIDENCE standard compound; INTERNAL_ID 1371; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4704; ORIGINAL_PRECURSOR_SCAN_NO 4701 CONFIDENCE standard compound; INTERNAL_ID 1371; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4699; ORIGINAL_PRECURSOR_SCAN_NO 4697 CONFIDENCE standard compound; INTERNAL_ID 1371; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4708; ORIGINAL_PRECURSOR_SCAN_NO 4706 CONFIDENCE standard compound; INTERNAL_ID 1371; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4715; ORIGINAL_PRECURSOR_SCAN_NO 4713
2,5-dihydro-pyrrole-1,3-dicarboxylic acid 1-benzylester
Thiourea, N-(1-methyl-1H-pyrazol-3-yl)-N-(4-pyridinylmethyl)- (9CI)
Thiourea, N-(1-methyl-1H-pyrazol-3-yl)-N-(2-pyridinylmethyl)- (9CI)
Benzenebutanoic acid, β-amino-2,4,5-trifluoro-, methyl ester, (βR)-
Imidodicarbonimidicdiamide, N-(4-chlorophenyl)-, hydrochloride (1:1)
2-(2-METHOXY-PHENYL)-OXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
TRANS-2,6-DIFLUORO-4-(4-VINYL-CYCLOHEXYL)-BENZONITRILE
Carbovir
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
5-(3-(Methoxycarbonyl)pyridin-2-yl)-furan-2-carboxylic acid
N-(3-chloropropyl)-1-phenylpropan-2-amine,hydrochloride
2-(4-FLUOROPHENYL)-5-(PIPERIDIN-4-YL)-1,3,4-OXADIAZOLE
tert-Butyl 4-(chlorocarbonyl)-piperidine-1-carboxylate
METHYL 2-METHYL-8-OXO-5,6,7,8-TETRAHYDRO-1-OXA-7A-AZAINDACENE-4-CARBOXYLATE
2-Thiazolecarboxylic acid,4-(4-methylphenyl)-,ethyl ester
4-[4-(1-METHYLETHYL)PHENYL]-2-THIAZOLECARBOXYLICACID
4-(4-HYDRAZINYLPHENYL)-4H-1,2,4-TRIAZOLE DIHYDROCHLORIDE
6-methyl-2-(4-methylphenyl)-1,3,6,2-dioxazaborocane-4,8-dione
2-AMINO-4-P-TOLYL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
2-AMINO-5-BENZYL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
1-ethyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbohydrazide
5-(2-(Methoxycarbonyl)pyridin-4-yl)-furan-2-carboxylic acid
3-Isopropyl-d7-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide
(2-AMINO-5-CHLOROPHENYL)(3-HYDROXYPHENYL)METHANONE
METHYL 2-(6-FLUORO-2,3-DIHYDRO-1H-PYRROLO[1,2-A]INDOL-1-YL)ACETATE
2-chloro-5-(chloromethyl)-Nneopentylpyrimidin-4-amine
[amino(anilino)methylidene]-phenylazanium,chloride
5-(1,3-DIOXO-1,3-DIHYDRO-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].
methyl 3-oxo-3-(6-(trifluoromethyl)pyridin-3-yl)propanoate
2-(1H-PYRROL-1-YL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLIC ACID
N-(2-amino-4,6-dihydroxy-pyrimidin-5-yl)pyridine-3-carboxamide
6-AMINO-2-CHLORO-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5-OL HYDROCHLORIDE
L-3,4-Dihydroxyphenylalanine Methyl ester hydrochloride
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
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
Ethyl 8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
4-(1H-TETRAZOL-5-YLMETHYL)-4H-BENZO[1,4]THIAZIN-3-ONE
8-ACETYL-6-HYDROXY-7-METHYL-6H-[1,2,5]OXADIAZOLO[3,4-E]INDOLE 3-OXIDE
4-Nitro-1-(phenylmethyl)-1H-imidazole-5-carboxylic acid
9-Chloro-2-methyl-5H-pyrazolo[1,5-d][1,4]benzodiazepin-6(7H)-one
ethyl 3-(4-hydroxyphenyl)-5-methylisoxazole-4-carboxylate
(+/-)-THIOMORPHOLINE-3,4-DICARBOXYLICACID4-TERT-BUTYLESTER
(4-((2,2,2-TRIFLUOROETHYL)CARBAMOYL)PHENYL)BORONIC ACID
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
3-[(4-CHLOROPHENYL)METHYL]-PYRIDINE-4-CARBOXYLIC ACID
4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid
ethyl 7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
5-(4-METHYL-2-NITRO-PHENYL)-FURAN-2-CARBOXYLIC ACID
methyl 2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)acetate
2-methyl-6-[(2,2,2-trifluoroacetyl)amino]benzoic acid
5-Nitro-1-(phenylmethyl)-1H-imidazole-4-carboxylic acid
ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
3-acetamido-4-methoxybenzenesulfinic acid hydrate, 97
SR 57227 hydrochloride
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].
3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
4-[3-(Methoxycarbonyl)-1,2-oxazol-5-yl]benzoic acid
1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid
ethyl 3-amino-3-(3-fluorophenyl)propanoate,hydrochloride
Imidodicarbonimidicdiamide, N-(2-chlorophenyl)-, hydrochloride (1:1)
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
(Z)-4-(2,4-DIMETHOXYBENZYLIDENE)-2-METHYLOXAZOL-5(4H)-ONE
INDOLE-2,4-DICARBOXYLIC ACID 2-ETHYL ESTER 4-METHYL ESTER
(3S)-3,4-DIHYDRO-5-METHOXY-2H-1-BENZOPYRAN-3-AMINE
5-(4-NITROPHENYL)FURAN-2-CARBOXYLIC ACID METHYL ESTER
4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
4-Chloro-6-methyl-5-(2-methylbenzyl)-2-pyrimidinamine
Thiourea, N-(1-methyl-1H-pyrazol-3-yl)-N-(3-pyridinylmethyl)- (9CI)
2-AMINO-4-M-TOLYL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
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
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
2-(2-Chloropyridin-4-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
2-CHLORO-N-(5-PENTYL-[1,3,4]THIADIAZOL-2-YL)-ACETAMIDE
4-Chloro-6-methyl-5-(4-methylbenzyl)-2-pyrimidinamine
2-chloro-5-(5-ethyl-1,3-oxazol-2-yl)-6-methylpyridine-3-carbonitrile
(S)-[(4S,5R,7R)-5-ETHENYL-1-AZABICYCLO[2.2.2]OCTAN-7-YL]-(6-METHOXYQUINOLIN-4-YL)METHANOLSULFATEDIHYDRATE
2-(4-METHYLPHENYL)-2-PHENYLETHYLAMINE HYDROCHLORIDE
4-Oxo-4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-butenoic 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
5,6-DIHYDROXY-2-PYRIDIN-2-YL-PYRIMIDINE-4-CARBOXYLIC ACID METHYL ESTER
Aciclovir sodium
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
N-tert-Butoxycarbonyl-L-aspartic acid 1-methyl ester
2-chloro-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
2,4,5-trifluoro-n-(1-hydroxy-2-methylpropan-2-yl)benzamide
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
1-(4-Chlorophenyl)-3-(dimethylamino)propan-1-one Hydrochloride
D-ASPARTIC ACID, N-[(1,1-DIMETHYLETHOXY)CARBONYL]-, 4-METHYL ESTER
6-chloro-4-(1,2,4-triazol-1-yl)pyrido[3,2-d]pyrimidin-2-amine
1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol
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].
3-(8-chloroquinoline-4-yl)acrylic acid methyl ester
1-(3-chlorophenyl)biguanide hydrochloride
m-CPBG (1-(3-Chlorophenyl)biguanide) hydrochloride is a selective 5-HT3 agonist. m-CPBG hydrochloride can be used for the research of neurological disease[1].
Cyclopropanamine,2-fluoro-,(1S,2R)-,4-methylbenzenesulfonate(9CI)
ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate
(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
4-((S)-1-AMINO-2,2,2-TRIFLUORO-ETHYL)-BENZOIC ACID ETHYL ESTER
2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
1-[1,3]Oxazolo[4,5-b]pyridin-2-ylpiperidine-4-carboxylic acid
Ethyl 1-(N,N-dimethylsulfamoyl)-1H-imidazole-4-carboxylate
6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-[1,2,5]OXADIAZOLO[3,4-B]PYRIDINE
2-BUTYL-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXYLIC ACID
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
2-((tert-Butoxycarbonyl)amino)-3-ethoxy-3-oxopropanoic acid
Ethyl 1,4-dihydro-6-methoxy-4-oxoquinoline-3-carboxylate
Methyl 2-amino-4-(4-fluorophenyl)pyrimidine-5-carboxylate
4-(4-FLUOROPHENYLSULFANYL)PIPERIDINE HYDROCHLORIDE
4-(4-Amino-3-fluorophenoxy)-pyridine-2-carboxylic acid amide
2-((TERT-BUTOXYCARBONYL)AMINO)-4-METHOXY-4-OXOBUTANOIC ACID
4-(1-Cyanocyclobutylamino)-2-fluoro-n-methylbenzamide
Fluoroazomycin arabinoside F-18
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D019275 - Radiopharmaceuticals C1446 - Radiopharmaceutical Compound > C2124 - Radioconjugate
3-[(2-Nitro-1H-imidazol-1-yl)methoxy]-1,2,4-butanetriol
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
A tripeptide composed of two L-alanyl units and an L-serine joined by peptide linkages.
2-Acetamido-2-(hydroxymethyl)propanedioic acid diethyl ester
5-methyl-N-[2-(methylthio)phenyl]-2-furancarboxamide
2-[2-(3,5-Dimethylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
1H-Indole-2-carboxylic acid, 1-methyl-, trimethylsilyl ester
(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
2,3,6A,7,8,9-Hexahydro-11H-[1,4]dioxino[2,3-G]pyrrolo[2,1-B][1,3]benzoxazin-11-one
Emtricitabine
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent Same as: D01199
Pyridoxamine 5-phosphate(1-)
An organophosphate oxoanion that is the conjugate base of pyridoxamine 5-phosphate. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
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
7-Chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
ethyl (7Z)-7-hydroxyimino-1,7a-dihydrocyclopropa[b]chromene-1a-carboxylate
N-(4-methyl-2-pyridinyl)-5-nitro-2-furancarboxamide
N-(1,2-dihydroacenaphthylen-5-yl)methanesulfonamide
N-methyl-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]propanamide
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylthiazole
3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
N-(6-methyl-2-pyridinyl)-5-nitro-2-furancarboxamide
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
4-chloro-N-(1H-pyrrol-2-ylmethylene)benzohydrazide
1-[(E)-(2,4-dimethylphenyl)methylideneamino]-3-prop-2-enylthiourea
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
1H-Indole-2,3-dione, 5,7-dimethyl-1-(trimethylsilyl)-
1-Acetyl-4-(2-pyridyl)-2-pyrazoline-3-carboxylic acid methyl ester
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
An O-acyl-L-carnitine in which the acyl group is specified as malonyl.
(3S)-3-[(2-carboxyacetyl)oxy]-4-(trimethylazaniumyl)butanoate
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.
