Exact Mass: 249.0593
Exact Mass Matches: 249.0593
Found 500 metabolites which its exact mass value is equals to given mass value 249.0593,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pyridoxine 5'-phosphate
Pyridoxine phosphate, also known as pyridoxine 5-phosphoric acid or pyridoxine 5-(dihydrogen phosphate), is a member of the class of compounds known as pyridoxine-5-phosphates. Pyridoxine-5-phosphates are pyridoxines that carry a phosphate group at the 5-position. Pyridoxine phosphate is slightly soluble (in water) and a moderately acidic compound (based on its pKa). Pyridoxine phosphate can be found primarily in blood. Within the cell, pyridoxine phosphate is primarily located in the cytoplasm (predicted from logP). Pyridoxine phosphate exists in all living species, ranging from bacteria to humans. In humans, pyridoxine phosphate is involved in the vitamin B6 metabolism. Pyridoxine phosphate is also involved in hypophosphatasia, which is a metabolic disorder. Moreover, pyridoxine phosphate is found to be associated with obesity. Pyridoxine 5-phosphate is a substrate for Pyridoxine-5-phosphate oxidase and Pyridoxal kinase.
S-Acetyldihydrolipoamide
S-Acetyldihydrolipoamide is a thio-acetylated form of dihydrolipoamide. The molecule is commonly conjugated to lysine residues. The structure shown is the free form of the molecule. Pyruvate dehydrogenase complex. The reaction is 2-(alpha-hydroxyethyl)-TPP + lipoamide => S-acetyldihydrolipoamide + TPP [Homo sapiens], occuring in mitochondrial matrix. (reactome.org). S-Acetyldihydrolipoamide is an intermediate in alanine, aspartate and pyruvate metabolism and glycolysis/gluconeogenesis (KEGG:C01136). It is converted from 2-hydroxyethyl-THPP and lipoamide via the enzyme pyruvate dehydrogenase (EC:1.2.4.1). It is then converted to acetyl-CoA via the enzyme pyruvate dehydrogenase E2 component (dihydrolipoamide acetyltransferase) (EC:2.3.1.12). S-Acetyldihydrolipoamide is a thio-acetylated form of dihydrolipoamide. The molecule is commonly conjugated to lysine residues. The structure shown is the free form of the molecule.
Alendronic acid
Alendronate (Fosamax, Merck) is a bisphosphonate drug used for osteoporosis and several other bone diseases. It is marketed alone as well as in combination with vitamin D (2,800 U, under the name Fosavance). [HMDB] Alendronate (Fosamax, Merck) is a bisphosphonate drug used for osteoporosis and several other bone diseases. It is marketed alone as well as in combination with vitamin D (2,800 U, under the name Fosavance). M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization > M05BA - Bisphosphonates C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
Saclofen
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists Saclofen is a competitive antagonist of the GABAB receptor with an IC50 of 7.8 μM. Saclofen can be used to determine the functional roles for the GABAB receptor as a mediator of slow inhibitory postsynaptic potentials in the brain[1].
Sulfapyridine
Sulfapyridine is only found in individuals that have used or taken this drug. It is an antibacterial, potentially toxic, used to treat certain skin diseases. [PubChem] Sulfapyridine is a competitive inhibitor of the bacterial enzyme dihydropteroate synthetase. The inhibited reaction is necessary in these organisms for the synthesis of folic acid by means of processing the substrate para-aminobenzoic acid (PABA). Dihydropteroate synthetase activity is vital in the synthesis of folate, and folate is required for cells to make nucleic acids, such as DNA or RNA. So if DNA molecules cannot be built, the cell cannot divide. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides COVID info from PDB, Protein Data Bank D003879 - Dermatologic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Cysteinyl-Glutamine
Cysteinyl-Glutamine is a dipeptide composed of cysteine 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.
Glutaminylcysteine
Glutaminylcysteine is a dipeptide composed of glutamine and cysteine. 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.
Norepinephrine sulfate
Plasma norepinephrine sulfate increases after sympathetic nervous system activation by an exhausting incremental exercise test and remain elevated up to 2 h after exercise. (PMID: 8330610). Human platelets contribute to the formation of plasma norepinephrine sulfate by norepinephrine uptake, intraplatelet sulfoconjugation and release of norepinephrine sulfate. (PMID: 7968241). Higher concentrations of norepinephrine sulfate in portal venous than arterial plasma indicate substantial production of norepinephrine by mesenteric organs. (PMID: 8627312). Intravenously infused norepinephrine is sulfoconjugated in humans, indicating that a major part of NE is sulfoconjugated in blood or at sites easily accessible from blood. (PMID: 12020748). Plasma norepinephrine sulfate increases after sympathetic nervous system activation by an exhausting incremental exercise test and remain elevated up to 2 h after exercise. (PMID: 8330610)
S-Acetyldihydrolipoamide-E
The acetyl thioester of the reduced lipoyllysine residue in dihydrolipoyllysine-residue acetyltransferase (EC2.3.1.12). S-Acetyldihydrolipoamide-E is a reactant or product of enzyme EC 1.2.4.1. S-Acetyldihydrolipoamide-E is a reactant or product of enzyme EC 2.3.1.12. (PubChem sid=47205563) [HMDB] The acetyl thioester of the reduced lipoyllysine residue in dihydrolipoyllysine-residue acetyltransferase (EC2.3.1.12). S-Acetyldihydrolipoamide-E is a reactant or product of enzyme EC 1.2.4.1. S-Acetyldihydrolipoamide-E is a reactant or product of enzyme EC 2.3.1.12. (PubChem sid=47205563).
Cysteinyl-Gamma-glutamate
Cysteinyl-Gamma-glutamate is a dipeptide composed of cysteine 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.
(1Z)-1-(3-Ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one
5-[(4-Ethylphenyl)methylene]-2-thioxo-4-thiazolidinone
2',3'-Didehydro-2',3'-dideoxyguanosine
Benzo(f)quinolin-3(2H)-one, 8-chloro-1,4,4a,5,6,10b-hexahydro-4-methyl-, trans-
Cinchophen
M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AC - Preparations with no effect on uric acid metabolism C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
S-[(3R,3As,6S,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] ethanethioate
Phaclofen
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists Phaclofen is a selective GABAB receptor antagonist. Phaclofen is a peripheral and central baclofen antagonist. Phaclofen maybe a potential compound in determining the physiological significance of central and peripheral bicuculline-insensitive receptors with which GABA and (-)-baclofen interact[1][2].
2-[(2S)-2-Amino-3-carboxypropanoyl]oxybutanedioic acid
N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N-HYDROXYIMIDOFORMAMIDE
Me glycoside,N-Ac-alpha-D-Pyranose-4-Amino-4-deoxyglucuronic acid
6,7-dimethoxy-2-methylisoquinoline-1,3,4(2H)-trione
Di-Me ether,N-formyl-3-Amino-6,7-dihydroxy-2H-1-benzopyran-2-one
2-Acetylamino-3,4-dihydro-4-oxopteridine-6-carboxylic acid
8-Hydroxy-4-methoxythiochinaldinsaeure-S-methylester
Phaclofen
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists Phaclofen is a selective GABAB receptor antagonist. Phaclofen is a peripheral and central baclofen antagonist. Phaclofen maybe a potential compound in determining the physiological significance of central and peripheral bicuculline-insensitive receptors with which GABA and (-)-baclofen interact[1][2].
sulfapyridine
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01EB - Short-acting sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides COVID info from PDB, Protein Data Bank D003879 - Dermatologic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 2344 CONFIDENCE standard compound; INTERNAL_ID 4088 CONFIDENCE standard compound; EAWAG_UCHEM_ID 234 CONFIDENCE standard compound; INTERNAL_ID 1020
ALENDRONIC ACID
M - Musculo-skeletal system > M05 - Drugs for treatment of bone diseases > M05B - Drugs affecting bone structure and mineralization > M05BA - Bisphosphonates C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor D050071 - Bone Density Conservation Agents > D004164 - Diphosphonates
Cinchophen
M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AC - Preparations with no effect on uric acid metabolism C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4523; ORIGINAL_PRECURSOR_SCAN_NO 4519 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4546; ORIGINAL_PRECURSOR_SCAN_NO 4543 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4500; ORIGINAL_PRECURSOR_SCAN_NO 4498 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4520; ORIGINAL_PRECURSOR_SCAN_NO 4516 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4555; ORIGINAL_PRECURSOR_SCAN_NO 4552 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4546; ORIGINAL_PRECURSOR_SCAN_NO 4545 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8905; ORIGINAL_PRECURSOR_SCAN_NO 8900 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8921; ORIGINAL_PRECURSOR_SCAN_NO 8919 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8942; ORIGINAL_PRECURSOR_SCAN_NO 8939 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8878; ORIGINAL_PRECURSOR_SCAN_NO 8876 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8996; ORIGINAL_PRECURSOR_SCAN_NO 8993 CONFIDENCE standard compound; INTERNAL_ID 1051; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8968; ORIGINAL_PRECURSOR_SCAN_NO 8966
S-Acetyldihydrolipoamide-E
4-(3-Chloro-benzyl)-1H-pyrrole-3-carboxylic acid Methyl ester
2,5-Dimethoxy-4-(trifluoromethyl)phenethylamine
3-amino-5-(4-methoxyphenyl)thiophene-2-carboxylic acid
methyl 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
(S)-2-(Benzyloxycarbonylamino)-3-butenoic acid methyl ester
Benzamide, N-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]-2-methyl- (9CI)
5-(3,4-Dimethoxy-phenyl)-isoxazole-3-carboxylic acid
5-(2,4-dimethyl-benzylidene)-2-thioxo-thiazolidin-4-one
6-CHLORO-2-METHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
1H-Pyrazole-3-carboxylicacid, 4,5-dihydro-1-(4-nitrophenyl)-5-oxo-
methyl 3-amino-3-(4-chlorophenyl)propanoate hydrochloride
(R)-4-benzyl-5-oxomorpholine-3-carboxylic acid methyl ester
4-[(4-PYRIDINYLAMINO)CARBONYL]-2-THIAZOLECARBOXYLICACID
4-[4-(TERT-BUTYL)PHENYL]-5-MERCAPTO-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
2-[2-(4-METHOXYPHENYL)-1,3-THIAZOL-4-YL]ACETIC ACID
1-CHLORO-3-(1,3,3-TRIMETHYL-1,3-DIHYDRO-INDOL-2-YLIDENE)-PROPAN-2-ONE
2-HYDRAZONO-6-(TRIFLUOROMETHOXY)-2,3-DIHYDROBENZO[D]THIAZOLE
Benzoic acid,4-[(1,3-dioxobutyl)amino]-, ethyl ester
Ethyl 3,7-dimethyl-4H-benzo[1,4]thiazine-2-carboxylate
3-(METHYLTHIO)-1-PHENYL-1H-PYRAZOLE-4-CARBOTHIOAMIDE
6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
3-[(2E)-1-Oxo-3-phenyl-2-propenyl]-2-thiazolidinethione
2-METHYL-6-NITRO-IMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
Bay H 2049
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor
Phenol,2-[[(phenylmethyl)amino]methyl]-, hydrochloride (1:1)
2-CYCLOPROPYLAMINOMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-(1H-Imidazol-1-yl)-6-(trifluoromethyl)pyridine hydrochloride
methyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
4-(chloromethyl)-1-(furan-2-ylmethyl)piperidine,hydrochloride
(2S,3R)-2-Methyl-5-oxo-4-(phenylmethyl)-3-Morpholinecarboxylic acid
(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanol
(r)-3-amino-4-(4-chlorophenyl)butanoic acid hydrochloride
{[4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO}ACETIC ACID
1-PHENYL-3-PYRIDIN-3-YL-1H-PYRAZOLE-4-CARBALDEHYDE
(4-methoxyphenyl)(phenyl)methanamine hydrochloride
2-(3-hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
PCPA methyl ester hydrochloride
PCPA methyl ester hydrochloride (4-Chloro-DL-phenylalanine methyl ester hydrochloride), a reversible tryptophan hydroxylase inhibitor, is a serotonin (5-HT) synthesis inhibitor. PCPA methyl ester hydrochloride crosses the blood brain barrier and reduces 5-HT central availability[1][2].
1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
(2S)-4-(1,3-Dioxoisoindolin-2-yl)-2-hydroxybutanoic acid
ETHYL5-AMINO-1-(2-FLUOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE
3-AMINO-3-(4-TRIFLUOROMETHOXY-PHENYL)-PROPIONIC ACID
6-AMINO-2-(4-CHLORO-PHENYL)-PYRIMIDINE-4-CARBOXYLIC ACID
2-Oxazolidinone, 5-(2,2-diMethyl-4H-1,3-benzodioxin-6-yl)-, (5R)-
N-(2-hydroxyethyl)-N-[hydroxy(methoxy)phosphoryl]-methoxyphosphonamidic acid
ethyl 5-amino-1-(4-fluorophenyl)pyrazole-4-carboxylate
3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid ethyl ester
4-bromomethyl-2,2,5,5-tetramethyl-3-imida-zoline-3-oxide-1-oxyl free radical
2-CHLORO-N-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)ACETAMIDE
2-AMINO-1-[4-(METHYLSULFONYL)PHENYL]-1-ETHANONE HYDROCHLORIDE
6-Nitro-1H-benzimidazole-2-acetic acid ethyl ester
Pyridinium,3-carboxy-1-(phenylmethyl)-, chloride (1:1)
5-[(4-Ethylphenyl)methylene]-2-thioxo-4-thiazolidinone
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
6-(1-chloroethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
5-CHLORO-2-CYANOPHENYLBORONIC ACID NEOPENTYL GLYCOL ESTER
7-CHLORO-2-METHYL-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
(S)-2-(((Benzyloxy)carbonyl)amino)pent-4-enoic acid
2-Isopropoxy-5-(trifluoromethyl)pyridine-3-boronic acid
[4-(4-methylphenoxy)phenyl]methanamine,hydrochloride
ETHYL5-AMINO-1-(3-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
1H-Carbazole-2-carboxylic acid, 7-chloro-2,3,4,9-tetrahydro-
2-METHYL-2-(5-(TRIFLUOROMETHYL)PYRIDIN-2-YLOXY)PROPANOIC ACID
(4-CHLORO-PHENYL)-(4-TRIFLUOROMETHOXY-PHENYL)-METHANONE
ethyl 2-cyano-2-(4-methyl-3-nitropyridin-2-yl)acetate
5-Methyl-1-[2-(methylsulfonyloxy)ethyl]-2-nitro-1H-imidazole
3-Quinolinecarboxylic acid, 2-(chloromethyl)-4-methyl-, methyl ester
ETHYL5-AMINO-1-(2-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE
2-(4-hydroxy-phenyl)-thiazole-4-carboxylic acid ethyl ester
2-AMINO-BENZOTHIAZOLE-6-CARBOXYLIC ACID SEC-BUTYLAMIDE
4-ethyl-3-[(2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
4-ETHYL-5-[(4-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
ETHYL 4-HYDROXY-2-PHENYL-1,3-THIAZOLE-5-CARBOXYLATE
1-(2-Methoxybenzyl)-5-oxopyrrolidine-3-carboxylic acid
2-(2-METHOXY-ETHYL)-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXYLIC ACID
4-ethyl-3-(1-phenoxyethyl)-1H-1,2,4-triazole-5-thione
7-(METHYLTHIO)-1-(PROP-2-YNYL)-1H-PYRIMIDO[4,5-D][1,3]OXAZINE-2,4-DIONE
(R)-2-(((Benzyloxy)carbonyl)amino)pent-4-enoic acid
(2S,4R)-METHYL 1-BENZOYL-4-HYDROXYPYRROLIDINE-2-CARBOXYLATE
4-Chloro-5-(5-methoxy-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridine
6-chloro-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
Benzoxiquine
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
4-(2-TRIFLUOROMETHYL-PHENOXY)-PIPERIDINEHYDROCHLORIDE
6-(chloromethyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
3-AMINO-3-(2-TRIFLUOROMETHOXY-PHENYL)-PROPIONIC ACID
POLY(ACRYLONITRILE-CO-VINYLIDENE CHLORIDE-CO-METHYL METHACRYLATE)
2-Chloro-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
(s)-3-amino-4-(4-chlorophenyl)butanoic acid hydrochloride
(S)-3-Amino-4-(2-chlorophenyl)butyric acid hydrochloride
1-PHENYL-3-PYRIDIN-4-YL-1H-PYRAZOLE-4-CARBALDEHYDE
2-(2-methyl-5-nitroimidazol-1-yl)ethyl methanesulfonate
4-chloro-3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
(r)-3-amino-4-(2-chlorophenyl)butanoic acid hydrochloride
(s)-3-amino-4-(3-chlorophenyl)butanoic acid hydrochloride
2-methyl-4-(4-methoxy)phenyl thiazole-5-carboxylic acid
(S)-4,9-DIHYDRO-1-METHYL-3H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLICACID
methyl 4-chloro-6,8-dimethyl-quinoline-2-carboxylate
1-(3-HYDROXYPHENYL)-1-METHOXY-1-(2-THIAZOLYL)-PROPANE
1-(3-fluoro-5-trifluoromethylpyridin-2-yl)piperazine
6-(benzo[d][1,3]dioxol-5-ylmethyl)-2-thia-6-azaspiro[3.3]heptane
5-methyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
5-NITROSPIRO[BENZIMIDAZOLE-2,1-CYCLOPENTANE] 1,3-DIOXIDE
4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-5-METHYL-4H-1,2,4-TRIAZOLE-3-THIOL
(2S)-2-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]PYRROLIDINE
(R)-Benzyloxycarbonylamino-cyclopropyl-acetic acid
(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-((S)-3-hydroxy-pyrrolidin-1-yl)-Methanone
(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-((R)-3-hydroxy-pyrrolidin-1-yl)-Methanone
(S)-3-(4-Fluoro-benzenesulfinyl)-pyrrolidine hydrochloride
2-Propenoic acid, 4-cyano[1,1-biphenyl]-4-yl ester
Clorprenaline hydrochloride
Clorprenaline hydrochloride is a β2-adrenergic receptor agonist that is implicated in bronchial expansion. Clorprenaline has the potential for asthma research[1][2].
1,3-DIHYDRO-α-HYDROXY-1,3-DIOXO-2H-ISOINDOLE-2-BUTANOIC ACID
1H-Imidazole-4-carboxylicacid,5-[[(4-fluorophenyl)amino]carbonyl]-(9CI)
METHYL 7-ALLYL-6-HYDROXY-5-OXO-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYATE
5-(1-METHYL-PYRROLIDIN-2-YL)-PYRIDIN-2-YLAMINEDIHYDROCHLORIDE
1-(4-METHOXY-BENZYL)-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACID
2-Propoxy-5-(trifluoromethyl)pyridine-3-boronic acid
(2E)-2-(6-nitro-4-oxochromen-3-ylidene)acetic acid
3-(2-NITROPHENYL)-2-PROPENOIC ACID1,1-DIMETHYLETHYL ESTER
4-(4-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
[2-(3-chloro-phenyl)-ethyl]-(4-fluoro-phenyl)-amine
5-(2,4-DIMETHYOXYPHENYL)-1,3-OXAZOLE-4-CARBOXYLIC ACID
2-(4-Methoxybenzyl)-1,3-thiazole-4-carboxylic acid
Methyl 3-(aminomethyl)-4-(trifluoromethoxy)benzoate
1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-4-[4-(FLUORO)PHENYL]-3-PYRIDINECARBOXYLIC ACID
N1-(1-METHYL-3-PHENYL-1H-PYRAZOL-5-YL)-2-CHLOROACETAMIDE
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethylsulfamide
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C29577 - Carbonic Anhydrase Inhibitor
bexlosteride
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058891 - 5-alpha Reductase Inhibitors C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen C471 - Enzyme Inhibitor > C2319 - 5 Alpha-Reductase Inhibitor C1892 - Chemopreventive Agent
6-(chloromethyl)-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
7-Amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
N,N-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]ethanamine
N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide
(E)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)acrylamide
3-(Dimethylamino)-5-(trifluoromethyl)pyridine-2-carbothioamide
L-gamma-glutamyl-L-cysteinate(1-)
Conjugate base of L-gamma-glutamyl-L-cysteine arising from deprotonation of both carboxy groups and protonation of the primary amino group; major species at pH 7.3. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-Hydroxy-6-(2-hydroxyphenoxy)-6-oxo-cis,cis-hexa-2,4-dienoate
5-(4-Chlorophenyl)-6-ethylpyrimidin-3-ium-2,4-diamine
(2Z,2E)-2-hydroxy-6-oxo-6-(2,3-dihydroxyphenyl)-hexa-2,4-dienoate
(5S)-2-methylsulfanylspiro[4H-1,3-thiazole-5,3-indole]-2-olate
[(E)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enoyl]azanium
[(Z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enoyl]azanium
(1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one
(5Z)-5-(4-ethylbenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one
2-amino-9-[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-1H-purin-6-one
N-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-ynylmethanesulfonamide
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors D020011 - Protective Agents
2-[(2S)-2-Amino-3-carboxypropanoyl]oxybutanedioic acid
N-{2-hydroxy-5-nitrobenzylidene}cyclopropanecarbohydrazide
8,5-Cyclo-2-deoxyadenosine
An organic heterotetracyclic compound obtained by intramolecular formation of a C-C bond between positions 8 and 5 of 2-deoxyadenosine.
N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]carbamic acid methyl ester
2-(4,5-dihydro-1H-imidazol-2-ylthio)-N-(4-methylphenyl)acetamide
Propionylamino-acetic acid 2-oxo-2-phenyl-ethyl ester
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]pyridin-2-amine
Ala-Cys-Gly
A tripeptide composed of L-alanine, L-cysteine, and glycine joined in sequence by peptide linkages.
methyl N-[[(Z)-indol-3-ylidenemethyl]amino]carbamodithioate
N-[(4-fluorophenyl)methyl]-2-thiophen-2-ylacetamide
2-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenylacetonitrile
(R)-S(6)-acetyldihydrolipoamide
The (R)-enantiomer of S(6)-acetyldihydrolipoamide.
N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)methanamine
N-Acetyl-S-(2-carbamoyl-2-hydroxyethyl)-L-cysteine
5-acetamido-3,5-dideoxy-L-arabino-hept-2-ulopyranosonic acid
2-oxo-4-(4-propan-2-yl-1-pyridin-1-iumyl)-3H-thiazole-5-carboxaldehyde
2-[(4-Methoxy-1-benzouran-5-carbonyl)amino]acetic acid
1H-Indole-2,3-dione, 5-methoxy-1-(trimethylsilyl)-
Pyridoxine 5'-phosphate
Pyridoxine 5'-phosphate is a vitamin B6 phosphate. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is functionally related to a pyridoxine. It is a conjugate acid of a pyridoxine 5'-phosphate(2-). Pyridoxine 5'-phosphate is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
ML351
ML351 is a potent and highly specific 15-LOX-1 inhibitor with an IC50 of 200 nM. ML351 shows excellent selectivity (>250-fold) versus the related isozymes, 5-LOX, platelet 12-LOX, 15-LOX-2, ovine COX-1, and human COX-2[1].?ML351 prevents dysglycemia and reduces β-cell oxidative stress in nonobese diabetic mouse model of T1D[2].
SY-LB-35
SY-LB-35 is a potent bone morphogenetic protein (BMP) receptor agonist. SY-LB-35 can stimulate significant increases in cell number and cell viability in the C2C12 myoblast cell line, and causes shifts towards the S and G2/M phases of the cell cycle. SY-LB-35 stimulates canonical Smad and non-canonical PI3K/Akt, ERK, p38 and JNK intracellular signaling pathways[1].
n-methyl-n-[(2z)-3-(methylsulfanyl)prop-2-enoyl]-2-phenylacetamide
(2s,3r,4s)-7-methylidene-2-[(1e,3e)-penta-1,3-dien-1-yl]-2h,3h,4h-pyrano[2,3-c]pyrrole-3,4,5-triol
4,5-dehydroanhydrolycorine
{"Ingredient_id": "HBIN009997","Ingredient_name": "4,5-dehydroanhydrolycorine","Alias": "NA","Ingredient_formula": "C16H11NO2","Ingredient_Smile": "NA","Ingredient_weight": "249.26","OB_score": "NA","CAS_id": "212-38-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7921","PubChem_id": "NA","DrugBank_id": "NA"}
6,7-dimethoxy-n-methyl-3,4-dioxo-1(2h)-iso-quinolinone
{"Ingredient_id": "HBIN012082","Ingredient_name": "6,7-dimethoxy-n-methyl-3,4-dioxo-1(2h)-iso-quinolinone","Alias": "NA","Ingredient_formula": "C12H11NO5","Ingredient_Smile": "CN1C(=O)C2=CC(=C(C=C2C(=O)C1=O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6259","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
