Exact Mass: 259.08043180000004
Exact Mass Matches: 259.08043180000004
Found 500 metabolites which its exact mass value is equals to given mass value 259.08043180000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Glucosamine 6-phosphate
C6H14NO8P (259.04570140000004)
Glucosamine 6-phosphate (CAS: 3616-42-0) is normally produced in endothelial cells via de novo glucosamine synthesis by the enzyme fructose-6-phosphate amidotransferase and the modulation of this pathway by hyperglycemia and glutamine. Glutamine-fructose-6-phosphate amidotransferase (GFAT) catalyzes the first committed step in the pathway for biosynthesis of hexosamines in mammals.It is a member of the N-terminal nucleophile class of amidotransferases, GFAT transfers the amino group from the L-glutamine amide to D-fructose 6-phosphate, producing glutamic acid and glucosamine 6-phosphate. As glucosamine inhibits endothelial nitric oxide synthesis it has important implications for impaired endothelium-dependent relaxation and vascular dysfunction in diabetes mellitus (PMID:11270676, 11842094). Glucosamine 6-phosphate is normally produced in endothelial cells via the de novo glucosamine synthesis by the enzyme fructose-6-phosphate amidotransferase and the modulation of this pathway by hyperglycemia and glutamine. glutamine-fructose-6-phosphate amidotransferase (GFAT) catalyzes the first committed step in the pathway for biosynthesis of hexosamines in mammals. A member of the N-terminal nucleophile class of amidotransferases, GFAT transfers the amino group from the L-glutamine amide to D-fructose 6-phosphate, producing glutamic acid and glucosamine 6-phosphate. As glucosamine inhibits endothelial nitric oxide synthesis it has important implications for impaired endothelium-dependent relaxation and vascular dysfunction in diabetes mellitus. (PMID 11270676, 11842094) [HMDB] Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID G021; [MS2] KO008968 KEIO_ID G021
Glucosamine-1P
C6H14NO8P (259.04570140000004)
Glucosamine-1P is a substrate of enzyme UDP-N-acetylglucosamine diphosphorylase [EC 2.7.7.23] (KEGG). [HMDB] Glucosamine-1P is a substrate of enzyme UDP-N-acetylglucosamine diphosphorylase [EC 2.7.7.23] (KEGG). KEIO_ID G065
Skimmianine
Skimmianine is a furoquinoline alkaloid present mainly in the Rutaceae family, with antispastic, anti-inflammatory activities and antiplatelet aggregation effect. Skimmianine exhibits cytotoxicity against a variety of cancer cell lines and genotoxicity[1]. Skimmianine is a furoquinoline alkaloid present mainly in the Rutaceae family, with antispastic, anti-inflammatory activities and antiplatelet aggregation effect. Skimmianine exhibits cytotoxicity against a variety of cancer cell lines and genotoxicity[1].
scyllo-Inosamine 4-phosphate
C6H14NO8P (259.04570140000004)
Linatine
Linatine is found in fats and oils. Linatine is isolated from Linum usitatissimum (flax). Isolated from Linum usitatissimum (flax). Linatine is found in tea and fats and oils.
Kanosamine 6-phosphate
C6H14NO8P (259.04570140000004)
Aminofructose 6-phosphate
C6H14NO8P (259.04570140000004)
This compound belongs to the family of Pentose Phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.
Arminum
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D004791 - Enzyme Inhibitors Same as: D01591
Norbelladine
A phenethylamine alkaloid that is tyramine in which one of the amino hydrogens has been replaced by a 3,4-dihydroxybenzyl group.
Pyrazofurin
C9H13N3O6 (259.08043180000004)
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2170 - Orotidylate Decarboxylase Inhibitor D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
D-Galactosamine 6-phosphate
C6H14NO8P (259.04570140000004)
A galactosamine phosphate that is D-galactosamine substituted at position 1 by a monophosphate group.
Skimmianine
Skimmianine is an organonitrogen heterocyclic compound, an organic heterotricyclic compound, an oxacycle and an alkaloid antibiotic. Skimmianine is a natural product found in Haplophyllum bucharicum, Haplophyllum cappadocicum, and other organisms with data available. Skimmianine is a furoquinoline alkaloid present mainly in the Rutaceae family, with antispastic, anti-inflammatory activities and antiplatelet aggregation effect. Skimmianine exhibits cytotoxicity against a variety of cancer cell lines and genotoxicity[1]. Skimmianine is a furoquinoline alkaloid present mainly in the Rutaceae family, with antispastic, anti-inflammatory activities and antiplatelet aggregation effect. Skimmianine exhibits cytotoxicity against a variety of cancer cell lines and genotoxicity[1].
Osmaronin
Osmaronin is found in cereals and cereal products. Osmaronin is a constituent of the leaves of Hordeum vulgare (barley). Constituent of the leaves of Hordeum vulgare (barley). Osmaronin is found in barley and cereals and cereal products.
Lenalidomide
Lenalidomide (initially known as CC-5013 and marketed as Revlimid by Celgene) is a derivative of thalidomide introduced in 2004. It was initially intended as a treatment for multiple myeloma, for which thalidomide is an accepted therapeutic modality, but has also shown efficacy in the hematological disorders known as the myelodysplastic syndromes. [Wikipedia] C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent > C157388 - Immunomodulatory Imide Drug L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D006133 - Growth Substances > D006131 - Growth Inhibitors D007155 - Immunologic Factors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Mizoribine
C9H13N3O6 (259.08043180000004)
Mizoribine belongs to the family of 1-Ribosyl-imidazolecarboxamides. These are organic compounds containing the imidazole ring linked to a ribose ring through a 1-2 bond. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C308 - Immunotherapeutic Agent > C574 - Immunosuppressant D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents D004791 - Enzyme Inhibitors Mizoribine (NSC 289637), an imidazole nucleoside, inhibits HCV RNA replication with IC50 of approximately 100 μM for anti-HCV activity. Immunosuppressant[1]. Mizoribine, an IMPDH inhibitor, inhibits replication of SARS-CoV with IC50s of 3.5 μg/mL and 16 μg/mL for SARS-CoV Frankfurt-1 and SARS-CoV HKU39849, respectively[2]. Mizoribine (NSC 289637), an imidazole nucleoside, inhibits HCV RNA replication with IC50 of approximately 100 μM for anti-HCV activity. Immunosuppressant[1]. Mizoribine, an IMPDH inhibitor, inhibits replication of SARS-CoV with IC50s of 3.5 μg/mL and 16 μg/mL for SARS-CoV Frankfurt-1 and SARS-CoV HKU39849, respectively[2].
Fumarycarnitine
Fumarycarnitine is an acylcarnitine. More specifically, it is an fumaric acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. Fumarycarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine fumarycarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews]. A human metabolite taken as a putative food compound of mammalian origin [HMDB]
Glutaminylhydroxyproline
Glutaminylhydroxyproline is a dipeptide composed of glutamine and hydroxyproline. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Hydroxyprolyl-Glutamine
Hydroxyprolyl-Glutamine is a dipeptide composed of hydroxyproline and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Hydroxyprolyl-Gamma-glutamate
Hydroxyprolyl-Gamma-glutamate is a dipeptide composed of hydroxyproline and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Clobenzorex
Chemically, clobenzorex is an N-substituted amphetamine analog that is converted to d-amphetamine soon after ingestion. In commercial production, clobenzorex is supplied in 30 mg doses as the hydrochloride salt in green-tinted capsules. The drug gained use as a prescription anorectic in the 1970s; however, adverse reactions were eventually observed, which led to the prohibition of clobenzorex in the United States and certain other countries. Clobenzorex (Asenlix, Dinintel, Finedal, Rexigen) is a stimulant drug of the phenethylamine and amphetamine chemical classes used as an appetite suppressant. The drug is legally distributed in Mexico under the trade name Asenlix by Aventis. A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products
1-(3-Carboxypropylcarbamoyl)-5-fluorouracil
BEMORADAN
C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
D-Glucosamine-6-phosphate
C6H14NO8P (259.04570140000004)
Glycerophosphoserine
C6H14NO8P (259.04570140000004)
5-(1H-Indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidazolidinone
1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamide
C9H13N3O6 (259.08043180000004)
Pyrazofurin
C9H13N3O6 (259.08043180000004)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
4-Amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxypyrimidin-2-one
C9H13N3O6 (259.08043180000004)
1-(6-Aminopurin-9-yl)-5-methylpyrimidine-2,4-dione
Cyclohexanones
Cyclohexanones, also known as cn-54521-2ci-634tiletamine hydrochloride or cl 399, is a member of the class of compounds known as aralkylamines. Aralkylamines are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group. Cyclohexanones can be found in tea, which makes cyclohexanones a potential biomarker for the consumption of this food product. Cyclohexanones is the organic compound with the formula (CH2)5CO. The molecule consists of six-carbon cyclic molecule with a ketone functional group. This colorless oil has an odor reminiscent of that of acetone. Over time, samples of cyclohexanone assume a yellow color. Cyclohexanones is slightly soluble in water and miscible with common organic solvents. Billions of kilograms are produced annually, mainly as a precursor to nylon .
Rhodiocyanoside A
A cyanogenic glycoside that is (2Z)-2-methylbut-2-enenitrile attached to a beta-D-glucopyranosyloxy at position 4. Isolated from Rhodiola quadrifida, it exhibits anti-allergic activity.
Isomaculosidine
Furo(2,3-b)quinolin-4(9H)-one, 6,8-dimethoxy-9-methyl- is a natural product found in Dictamnus albus and Dictamnus dasycarpus with data available.
Pyrazomycin
C9H13N3O6 (259.08043180000004)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
(-)-alternarlactam|(1S)-6-hydroxy-8-methoxy-1-methyl-1H-cyclopenta[c]isoquinoline-3,5(2H,4H)-dione
3-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylprop-2-en-1-one
Ribalinine
Origin: Plant; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids
4,5,6-Trimethoxyfurl[2,3-b]quinoline|4,5,6-trimethoxyfuroquinoline
3alpha-p-Hydroxybenzoyloxytrop-6-en|4-hydroxy-benzoic acid trop-6-en-3-yl ester
(2S,4R)-1-((S)-2-(2-Aminoacetamido)Propanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
(-)-(3R)-geibalansine|(-)-(R)-geibalansine|(-)-R-geibalansine
2-(beta-D-glucopyranosyloxy)-3-methyl-but-2-enenitrile|2-beta-D-Glucopyranosyloxy-3-methyl-crotononitril|2-beta-D-glucopyranosyloxy-3-methyl-crotononitrile|Acacipetalin
(+/-)-4-Hydroxy-2,2,6-trimethyl-3,4,5,6-tetrahydro-2H-pyrano<3,2-c>quinolin-5-one|2,3,4,6-Tetrahydro-4-hydroxy-2,2,6-trimethyl-5H-pyrano[3,2-c]quinolin-5-one,|4-hydroxy-2,2,6-trimethyl-3,4,5,6-tetrahydro-2H-pyrano<3,2-c>quinolin-5-one
4,5,7-trimethoxyfuroquinoline|4,5,7-Trimethoxyfuro[2,3-b]quinoline
Caerulomycin I
A pyridine alkaloid that is 2,2-bipyridine-6-carboxamide substituted by methoxy groups at position 4 and carbamoyl nitrogen respectively. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity.
(6E)-3,4-dimethoxy-6-(nitrosomethylidene)-2-pyridin-2-yl-1H-pyridine
(2R)-2-[ (1E,3E)-hexa-1,3-dien-1-yl]-2,6-dimethylfuro[3,2-c]pyridine-3,4(2H,5H)-dione|huaspenone D
5-methoxymethyl-1-[2-(4-hydroxyphenyl)-ethyl]-1h-pyrrole-2-carbaldehyde
5,7-dimethoxy-9-methyl-4,9-dihydrofuro-[2,3-b]-chinolin-4-on|5,7-dimethoxy-9-methyl-9H-furo[2,3-b]quinolin-4-one|Glycarpin|Glycarpine
(E)-2-(hydroxymethylene)butanenitrile beta-D-glucopyranoside|supinanitriloside F
(2Z)-4-(beta-D-glucopyranosyloxy)-2-butenenitrile|4-beta-D-pyranoglucosyloxyl-2(Z)-propene-1-nitrile|alliarinoside
3-(4-chloro-phenyl)-2-methyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
Skimmianine
Origin: Plant; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids relative retention time with respect to 9-anthracene Carboxylic Acid is 1.053 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.048 Skimmianine is a furoquinoline alkaloid present mainly in the Rutaceae family, with antispastic, anti-inflammatory activities and antiplatelet aggregation effect. Skimmianine exhibits cytotoxicity against a variety of cancer cell lines and genotoxicity[1]. Skimmianine is a furoquinoline alkaloid present mainly in the Rutaceae family, with antispastic, anti-inflammatory activities and antiplatelet aggregation effect. Skimmianine exhibits cytotoxicity against a variety of cancer cell lines and genotoxicity[1].
Lenalidomide
C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent > C157388 - Immunomodulatory Imide Drug L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D006133 - Growth Substances > D006131 - Growth Inhibitors D007155 - Immunologic Factors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
D-Glucosamine-6-phosphate sodium salt
C6H14NO8P (259.04570140000004)
C14H13NO4_4,7,8-Trimethoxyfuro[2,3-b]quinoline
2-Thiocytidine
2-Thiocytidine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
(Z)-2-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile
(Z)-2-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enenitrile_major
mizoribine
C9H13N3O6 (259.08043180000004)
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C308 - Immunotherapeutic Agent > C574 - Immunosuppressant D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents D018501 - Antirheumatic Agents D004791 - Enzyme Inhibitors Mizoribine (NSC 289637), an imidazole nucleoside, inhibits HCV RNA replication with IC50 of approximately 100 μM for anti-HCV activity. Immunosuppressant[1]. Mizoribine, an IMPDH inhibitor, inhibits replication of SARS-CoV with IC50s of 3.5 μg/mL and 16 μg/mL for SARS-CoV Frankfurt-1 and SARS-CoV HKU39849, respectively[2]. Mizoribine (NSC 289637), an imidazole nucleoside, inhibits HCV RNA replication with IC50 of approximately 100 μM for anti-HCV activity. Immunosuppressant[1]. Mizoribine, an IMPDH inhibitor, inhibits replication of SARS-CoV with IC50s of 3.5 μg/mL and 16 μg/mL for SARS-CoV Frankfurt-1 and SARS-CoV HKU39849, respectively[2].
Asenlix
A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products
(4-Aminomethyl-pyridin-2-yl)-carbamic acid tert-butyl ester
(s)-3-amino-2-oxetanone p-toluenesulfonic acid salt
4-[(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile
5-chloro-4-(dimethoxymethyl)-2-(3-methoxypropyl)pyridine
2-Hydroxy-3-nitro-[1,1-biphenyl]-3-carboxylic acid
2-(2,4-difluorophenyl)-5-(trifluoromethyl)pyridine
METHYL 2-METHOXY-4-[(METHYLSULFONYL)AMINO]-BENZOATE
Azetepa
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
1-Benzyl-4-chloromethylpiperidine hydrochloride
C13H19Cl2N (259.08944740000004)
4-(2-HYDROXY-PHENYL)-4,5,6,7-TETRAHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE-6-CARBOXYLIC ACID
6-Benzyl-4-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyriMidine
2,3-Dihydro-α-(trifluoromethyl)-1H-indole-2-propanoic acid
3-[[[2-[(Aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]propanamide
2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
2-amino-6-(trifluoromethyl)benzoic acid, trihydrate
C8H12F3NO5 (259.06675379999996)
2-(1-(TERT-BUTOXYCARBONYL)AZETIDIN-3-YL)MALONIC ACID
ETHYL 2-(5-((ETHOXYCARBONYL)AMINO)-1,2,4-THIADIAZOL-3-YL)ACETATE
ciclobendazole
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CA - Benzimidazole derivatives C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
(1-BENZYL-1H-BENZOIMIDAZOL-2-YLSULFANYL)-ACETICACID
PSI-6130
PSI-6130 is a potent and selective inhibitor of HCV NS5B polymerase, and inhibits HCV replication with a mean IC50 of 0.6 μM.?
4-(1-Pyrrolidinyl)-3-(trifluoromethyl)benzoic acid
6-Methyl-2-(4-vinylphenyl)-1,3,6,2-dioxazaborocane-4,8-dione
C13H14BNO4 (259.10158340000004)
1-Phenylvinylboronic acid MIDA ester
C13H14BNO4 (259.10158340000004)
2-ISOPROPOXY-6-(2,2,2-TRIFLUOROETHOXY)BENZONITRILE
6-(4-Methoxybenzyloxy)pyridin-3-ylboronic acid
C13H14BNO4 (259.10158340000004)
5-Nitro-2-(3-piperidinyloxy)pyridine hydrochloride
C10H14ClN3O3 (259.07236439999997)
2-chloro-7-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinoline
5-HYDRAZINOCARBONYL-1 H-IMIDAZOLE-4-CARBOXYLIC ACID P-TOLYLAMIDE
(2S,4R)-4-(2-Fluorobenzyl)pyrrolidine-2-carboxylic acid hydrochloride
(2S,4R)-4-(4-Fluorobenzyl)pyrrolidine-2-carboxylic acid hydrochloride
(S)-2-(2-FLUOROBENZYL)PYRROLIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
(R)-2-(2-FLUOROBENZYL)PYRROLIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
(S)-2-(3-FLUOROBENZYL)PYRROLIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
(R)-3-Amino-2-oxetanone p-toluenesulfonic acid salt
4-chloro-6-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine
1-[4-(4-METHYL-4H-PYRAZIN-1-YL)-3-NITRO-PHENYL]-ETHANONE
Fadrozole hydrochloride
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D047072 - Aromatase Inhibitors C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents
Methyl 2-amino-4-(2-chloroethoxy)-5-methoxybenzoate
4-{[(2-Fluorobenzyl)oxy]methyl}piperidinehydrochloride
6-Chloro-3H-spiro[isobenzofuran-1,4-piperidine] hydrochloride
5-Chloro-3H-spiro[isobenzofuran-1,4-piperidine] hydrochloride
Ethyl 7-(trifluoromethyl)imidazo[1,2-a]pyrimidine-6-carboxylate
2-DIETHOXYMETHYL-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
4-oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid
2-fluoro-7,8,9,10-tetrahydro-6h-cyclohepta[b]quinoline-11-carboxylic acid
1,3(2H)-PYRIDINEDICARBOXYLIC ACID, 3-METHYL 1-PHENYL ESTER
Benzenesulfonamide,N,N-bis(2-hydroxyethyl)-4-methyl-
ETHYL5-CYANO-1-(3-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
ETHYL5-CYANO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
azintamide
C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents
2-amino-1-[4-(2-hydroxy-ethyl)-piperazin-1-yl]-ethanone 2 hcl
Benzenamine,4-[2-(3-chlorophenyl)diazenyl]-N,N-dimethyl-
1H-Imidazole-4,5-dicarboxylic acid 4-[(4-amino-phenyl)-amide] 5-methylamide
3-(3-THIOPHEN-2-YL-PYRAZOLO[1,5-A]PYRIMIDIN-6-YL)-PROPAN-1-OL
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)methanamine
METHYL 3-AMINO-4,5-DIHYDRONAPHTHO[1,2-B]THIOPHENE-2-CARBOXYLATE
C14H13NO2S (259.06669580000005)
2-Chloro-4-isopropylamino-6-(3-methoxypropylamino)-1,3,5-triazine
2,5-DIMETHOXY-4-(2-FLUORETHYLTHIO)-PHENYLETHYLAMIN
C12H18FNO2S (259.10422200000005)
2-[(2,5-DIMETHYL-FURAN-3-CARBONYL)-AMINO]-BENZOIC ACID
2-amino-5-methyl-4-(4-nitrophenyl)thiophene-3-carbonitrile
5-Methyl-2-[(2-nitrophenyl)amino]thiophene-3-carbonitrile
4(1H)-Pyrimidinone,6-amino-5-(2,2-diethoxyethyl)-2,3-dihydro-2-thioxo-
methyl 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetate
(3-(N,N-dimethylsulfamoyl)-4-Methoxyphenyl)boronic acid
C9H14BNO5S (259.06857040000006)
1-Pyrrolidinecarboxylic acid, 4-(acetylthio)-2-(hydroxymethyl)-, 2-propen-1-yl ester, (2S,4S)
(S)-METHYL 2-AMINO-3-(4-HYDROXY-2,6-DIMETHYLPHENYL)PROPANOATE HYDROCHLORIDE
(2-AMINO-4-(ISOPROPOXYCARBONYL)PHENYL)BORONIC ACID HYDROCHLORIDE
Cyclopentanecarboxylicacid, 1-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-
1-benzyl-3-(chloromethyl)piperidine
C13H19Cl2N (259.08944740000004)
Methyl morpholine-2-carboxylate 2,2,2-trifluoroacetate
C8H12F3NO5 (259.06675379999996)
(R)-2-(3-FLUOROBENZYL)PYRROLIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
(4-chlorophenyl)(4-piperidyl)methanone hydrochloride
Benzaldehyde,4-[bis(2-chloroethyl)amino]-2-methyl-
Methyl 2-amino-4-(3-methoxyphenyl)pyrimidine-5-carboxylate
1-Benzyl-4-(chloromethyl)piperidine hydrochloride
C13H19Cl2N (259.08944740000004)
2-chloro-6-morpholin-4-yl-5-nitropyrimidin-4-amine
C8H10ClN5O3 (259.04721400000005)
dimethylammonium 2-(4-chloro-2-methylphenoxy)propionate
2-(chloromethyl)-4-[(4-chlorophenyl)methyl]morpholine
3-(4-amino-6-anilino-1,3,5-triazin-2-yl)propanoic acid
2-(3-Carbethoxy-4-hydroxypyrrolidin-2-on-1-yl)ethyl acetate
1H-1,2,4-Triazole-3-carboxylicacid, 1-β-D-ribofuranosyl-, methyl ester
C9H13N3O6 (259.08043180000004)
(S)-2-(4-FLUOROBENZYL)PYRROLIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
(1H-benzoimidazol-2-yl)-(4-chloro-6-methyl-pyrimidin-2-yl)-amine
Acriflavinium chloride
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
(3S,4R)-4-(4-(TRIFLUOROMETHYL)PHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
3-(3-ETHYL-[1,2,4]TRIAZOLO[3,4-B][1,3,4]-THIADIAZOL-6-YL)-2-METHYL-PHENYLAMINE
C12H13N5S (259.08916180000006)
N-(2-Fluoro-5-Methylphenyl)-4-MethoxybenzaMide, 97\\%
N-(2-Fluoro-4-Methylphenyl)-4-MethoxybenzaMide, 97\\%
(4-Morpholinyl)acetic acid trifluoroacetic acid salt
C8H12F3NO5 (259.06675379999996)
ethyl 8-cyano-7-Methoxy-2-MethyliMidazo[1,2-a]pyridine-3-carboxylate
4-Fluoro-N,N-diisopropylbenzenesulfonamide
C12H18FNO2S (259.10422200000005)
2-(PHENYLTHIO)-PYRIDINE-4-CARBOXYLIC ACID ETHYL ESTER
C14H13NO2S (259.06669580000005)
(4-[(3-METHYL-FURAN-2-CARBONYL)-AMINO]-PHENYL)-ACETIC ACID
trans-4-(2-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride
1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxylic acid
1-(1H-imidazol-4-ylsulfonyl)piperidine-3-carboxylic acid
imidacloprid d4 (imidazolidin-4,4,5,5 d4)
C9H6ClD4N5O2 (259.07740771199997)
Nicotinyl alcohol tartrate
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
trans-2-Phenylvinylboronic acid MIDA ester
C13H14BNO4 (259.10158340000004)
Fosfomycin tromethamine
C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents
trans-4-(3-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride
1H-indole-3-butanoic acid, alpha,gamma-dioxo-, ethyl ester
Dibenamine
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
(5-Amino-2,3,4-trihydroxy-6-oxohexyl) dihydrogen phosphate
C6H14NO8P (259.04570140000004)
N(4)-Hydroxycytidine
C9H13N3O6 (259.08043180000004)
A nucleoside analogue that is cytidine which carries a hydroxy group at the N(4)-positon. It has broad-spectrum antiviral activity against influenza, SARS-CoV , SARS-CoV-2 and MERS-CoV. COVID info from DrugBank, Guide to PHARMACOLOGY Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
6-Fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3-one
2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(1H-pyrrol-2-yl)-
2-Fluoro-6-(3-methoxyanilino)purine
C12H10FN5O (259.08693420000003)
2-[(2-Phenylethyl)thio]nicotinic acid
C14H13NO2S (259.06669580000005)
ML-099 (CID-888706) is a pan Ras-related GTPases activator that can activate Rac1, cell division cycle 42, Ras, Rab7, and Rab-2A[1].
Ethyl 2-(trifluoromethyl)imidazo[1,2-a]pyrimidine-3-carboxylate
3-[(2,5-Dimethyl-furan-3-carbonyl)-amino]-benzoic acid
3-(3,4-Dimethylanilino)-1-thiophen-2-yl-1-propanone
2-[(3,4-Dimethylphenyl)sulfanyl]pyridine-3-carboxylic acid
C14H13NO2S (259.06669580000005)
N-(7-chloro-4-quinazolinyl)-N-(2-furylmethyl)amine
2-[(4-Methoxyphenyl)sulfonyl-methylamino]acetic acid
(3R)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
(3,4-Dihydroxy-2-nitrophenyl)(phenyl)methanone
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D004791 - Enzyme Inhibitors > D065098 - Catechol O-Methyltransferase Inhibitors
Sn-glycero-3-phosphoserine
C6H14NO8P (259.04570140000004)
A glycerol 1-phosphoserine in which the glycero portion has R-configuration.
1,1,1-Trifluoro-3-acetamido-4-phenyl butan-2-one(n-acetyl-l-phenylalanyl trifluoromethyl ketone)
Clobenzorex
A - Alimentary tract and metabolism > A08 - Antiobesity preparations, excl. diet products > A08A - Antiobesity preparations, excl. diet products > A08AA - Centrally acting antiobesity products
Ethyl 4-nitrophenyl ethylphosphonate
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D004791 - Enzyme Inhibitors Same as: D01591
Tiletamine Hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Skimmianin
Skimmianine is a furoquinoline alkaloid present mainly in the Rutaceae family, with antispastic, anti-inflammatory activities and antiplatelet aggregation effect. Skimmianine exhibits cytotoxicity against a variety of cancer cell lines and genotoxicity[1]. Skimmianine is a furoquinoline alkaloid present mainly in the Rutaceae family, with antispastic, anti-inflammatory activities and antiplatelet aggregation effect. Skimmianine exhibits cytotoxicity against a variety of cancer cell lines and genotoxicity[1].
Biotinate sulfoxide(1-)
A monocarboxylic acid anion that is the conjugate base of biotin sulfoxide; major species at pH 7.3.
Glucosamine 6-Phosphate (closed ring, complete stereochemistry)
C6H14NO8P (259.04570140000004)
[(2R,3R,4R,5R,6S)-5-amino-3,4,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
C6H14NO8P (259.04570140000004)
3-Amino-3-deoxy-beta-D-fructofuranose 6-phosphoric acid
C6H14NO8P (259.04570140000004)
2-Amino-5-oxo-5-[[1-oxo-1-(2-oxoethylamino)propan-2-yl]amino]pentanoic acid
caerulomycin C
A pyridine alkaloid that is 2,2-bipyridine substituted by methoxy groups at positions 3 and 4 and a (E)-(hydroxyimino)methyl group at position 6. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity.
(3Z)-2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile
N-(4-acetylphenyl)-2-thiophen-2-ylacetamide
C14H13NO2S (259.06669580000005)
Propanoic acid [4-[[2-furanyl(oxo)methyl]amino]phenyl] ester
2-[(3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-1-hydrazinecarbothioamide
C12H13N5S (259.08916180000006)
N-(3-acetylphenyl)-2-thiophen-2-ylacetamide
C14H13NO2S (259.06669580000005)
Benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
2-[[(4-Methyl-1-pyrazolyl)-oxomethyl]amino]benzoic acid methyl ester
2-(4-Chlorophenyl)-5-(prop-2-enylamino)-4-oxazolecarbonitrile
2-(3-Chlorophenyl)-5-(prop-2-enylamino)-4-oxazolecarbonitrile
6-ethyl-5-methyl-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
Acetic acid [2-(1-acetyl-6-indolyl)-2-oxoethyl] ester
(2r,3ar,7ar)-2-[(2s)-2-Amino-3-Hydroxy-3-Oxo-Propyl]-3,3a,5,6,7,7a-Hexahydrofuro[4,5-B]pyran-2-Carboxylic Acid
O-fumaryl-L-carnitine
An O-acyl-L-carnitine in which the acyl group is specified as fumaryl.
(3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl sulfate
An organosulfate oxoanion that is the conjugate base of (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl hydrogen sulfate. Isolated from Daphnia pulex, it induces morphological changes of phytoplankton Scenedesmus gutwinskii.
2-azaniumyl-2-deoxy-1-O-(hydroxyphosphinato)-alpha-D-galactopyranose
C6H14NO8P (259.04570140000004)
3-(2-methylpropylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indol-4-ium
3-Cyano-4,8-bis(methoxymethyl)-1-oxa-2-oxo-1,2-dihydroazulene
2,4-Dimethyl-4,4A-dihydro-1H-(1,3,5)triazino(1,2-A)quinoline-1,3,6(2H,5H)-trione
1-Amino-1-deoxy-scyllo-inositol 4-phosphate
C6H14NO8P (259.04570140000004)
4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione
(5-Amino-3,4,6-trihydroxyoxan-2-yl)methyl dihydrogen phosphate
C6H14NO8P (259.04570140000004)
2-amino-2-deoxy-D-glucopyranose 6-phosphate
C6H14NO8P (259.04570140000004)
The pyranose form of D-glucosamine 6-phosphate.
aldehydo-D-glucosamine 6-phosphate
C6H14NO8P (259.04570140000004)
alpha-D-glucosamine 6-phosphate
C6H14NO8P (259.04570140000004)
A 2-amino-2-deoxy-D-glucopyranose 6-phosphate that has an alpha-configuration at the anomeric position.
glycerol 1-phosphoserine
C6H14NO8P (259.04570140000004)
A L-serine derivative consisting of L-serine having a 1-glycerophospho group attached to the side-chain hydroxy function.
Dopamine D2 receptor antagonist-1
C14H17N3S (259.11431220000003)
Dopamine D2 receptor antagonist-1 is a negative allosteric modulator (NAM) of the dopamine D2 receptor (D2R) with sub-mM affinity[1].
(10ar)-8,9-dimethoxy-10h,10ah-pyrrolo[1,2-b]isoquinoline-1,5-dione
(1r,2s)-1,2-dihydroxy-1,2-dimethyl-9h-carbazole-3,4-dione
(5-amino-3,4,6-trihydroxyoxan-2-yl)methoxyphosphonic acid
C6H14NO8P (259.04570140000004)
5-(2-aminoethyl)-2-methoxy-3,4-bis(methylsulfanyl)phenol
C11H17NO2S2 (259.07006620000004)
(1s)-5,6-dihydroxy-8-methoxy-1-methyl-1h,2h-cyclopenta[c]isoquinolin-3-one
10-amino-3-hydroxy-7-(3-hydroxypropyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,5,8(12),9-pentaen-11-one
5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-enenitrile
n-[4-(4-hydroxy-5-methyl-6-oxopyran-2-yl)phenyl]ethanimidic acid
3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-enenitrile
7-(hydroxymethyl)-7-methyl-1h-chromeno[5,6-b]pyrrole-3-carboxylic acid
(3s)-11-hydroxy-3-methoxy-3,7-dimethyl-2-oxa-6-azatricyclo[7.3.1.0⁵,¹³]trideca-1(12),5(13),6,8,10-pentaen-4-one
methyl 6-[(s)-hydroxy(phenyl)methyl]-4-oxo-1h-pyridine-3-carboxylate
[(2r,3s,4r,5r)-5-amino-3,4,6-trihydroxyoxan-2-yl]methoxyphosphonic acid
C6H14NO8P (259.04570140000004)
(2e)-2-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-2-enenitrile
2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methylidene)butanenitrile
n,4-dimethoxy-[2,2'-bipyridine]-6-carboximidic acid
2-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-enenitrile
(2e)-2-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methylidene)butanenitrile
3-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-3-enenitrile
8-methoxy-4,12,14-trioxa-2-azatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1(16),2,5,7,9,11(15)-hexaen-16-ol
1-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]pyrrolidine-2-carboxylic acid
3-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-enenitrile
2-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)but-2-enenitrile
(2r)-3-methyl-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-3-enenitrile
methyl 6-[hydroxy(phenyl)methyl]-4-oxo-1h-pyridine-3-carboxylate
(2s)-3-methyl-2-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-3-enenitrile
(2z)-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-enenitrile
(7s)-7-(hydroxymethyl)-7-methyl-1h-chromeno[5,6-b]pyrrole-3-carboxylic acid
(2r)-1-{[(4s)-4-amino-4-carboxy-1-hydroxybutylidene]amino}pyrrolidine-2-carboxylic acid
(3z)-3-[amino(hydroxy)methylidene]-5-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2h-pyrazol-4-one
C9H13N3O6 (259.08043180000004)
8,9-dimethoxy-10h,10ah-pyrrolo[1,2-b]isoquinoline-1,5-dione
(2z)-2-methyl-4-{[(3r,5s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-enenitrile
(2e)-2-methyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-enenitrile
[(2r,3s,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphonic acid
C6H14NO8P (259.04570140000004)