Exact Mass: 249.06842759999998
Exact Mass Matches: 249.06842759999998
Found 500 metabolites which its exact mass value is equals to given mass value 249.06842759999998,
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.
Oxibendazole
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
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
C8H15N3O4S (249.07832299999998)
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
C8H15N3O4S (249.07832299999998)
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
C8H15N3O4S (249.07832299999998)
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
1-(2-Pyridylazo)-2-naphthol
C15H11N3O (249.09020759999999)
5-[(4-Ethylphenyl)methylene]-2-thioxo-4-thiazolidinone
C12H11NOS2 (249.02820359999998)
2',3'-Didehydro-2',3'-dideoxyguanosine
Benzo(f)quinolin-3(2H)-one, 8-chloro-1,4,4a,5,6,10b-hexahydro-4-methyl-, trans-
C14H16ClNO (249.09203559999997)
Ala-Cys-Gly
C8H15N3O4S (249.07832299999998)
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
Oxibendazole
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
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
C10H11N5OS (249.06842759999998)
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
Triallyl cyanurate
CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9255; ORIGINAL_PRECURSOR_SCAN_NO 9253 CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9282; ORIGINAL_PRECURSOR_SCAN_NO 9280 CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9293; ORIGINAL_PRECURSOR_SCAN_NO 9291 CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9319; ORIGINAL_PRECURSOR_SCAN_NO 9316 CONFIDENCE standard compound; INTERNAL_ID 407; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9326; ORIGINAL_PRECURSOR_SCAN_NO 9324
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
Cys-gglu
C8H15N3O4S (249.07832299999998)
GGlu-Cys
C8H15N3O4S (249.07832299999998)
4-(3-Chloro-benzyl)-1H-pyrrole-3-carboxylic acid Methyl ester
(3-Amino-benzo[d]isoxazol-4-yl)-carbamic acid tert-butyl ester
2,5-Dimethoxy-4-(trifluoromethyl)phenethylamine
C11H14F3NO2 (249.09765800000002)
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)
(2S)-2-[(1,1-dioxothiolan-3-yl)amino]-4-methylpentanoic acid
C10H19NO4S (249.10347339999998)
5-(3,4-Dimethoxy-phenyl)-isoxazole-3-carboxylic acid
5-tert-butyl-2-(2-chlorophenyl)pyrazol-3-amine
C13H16ClN3 (249.10326859999998)
5-(2,4-dimethyl-benzylidene)-2-thioxo-thiazolidin-4-one
C12H11NOS2 (249.02820359999998)
tert-Butyl (5-aminobenzo[d]isoxazol-3-yl)carbamate
6-CHLORO-2-METHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
2-chloro-3-morpholin-4-yl-quinoxaline
C12H12ClN3O (249.06688519999997)
1H-Pyrazole-3-carboxylicacid, 4,5-dihydro-1-(4-nitrophenyl)-5-oxo-
C10H7N3O5 (249.03856919999998)
methyl 3-amino-3-(4-chlorophenyl)propanoate hydrochloride
l-10-camphorsulfonic acid ammonium salt
C10H19NO4S (249.10347339999998)
(R)-4-benzyl-5-oxomorpholine-3-carboxylic acid methyl ester
4-[4-(TERT-BUTYL)PHENYL]-5-MERCAPTO-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
C12H15N3OS (249.09357799999998)
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
C14H16ClNO (249.09203559999997)
3-METHOXY-4-PYRROLIDIN-1-YL-BENZALDEHYDE
C12H15N3OS (249.09357799999998)
2-Amino-5-chloro-2-fluorobenzophenone
C13H9ClFNO (249.03566659999998)
5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-amine
C13H16ClN3 (249.10326859999998)
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
2-(PIPERAZIN-1-YL)QUINOLINE HYDROCHLORIDE
C13H16ClN3 (249.10326859999998)
4-phenoxypyridine-2-carboximidamide,hydrochloride
C12H12ClN3O (249.06688519999997)
3-[(2E)-1-Oxo-3-phenyl-2-propenyl]-2-thiazolidinethione
C12H11NOS2 (249.02820359999998)
2-METHYL-6-NITRO-IMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLIC ACID ETHYL ESTER
Bay H 2049
C15H11N3O (249.09020759999999)
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)
C14H16ClNO (249.09203559999997)
2-CYCLOPROPYLAMINOMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-(1H-Imidazol-1-yl)-6-(trifluoromethyl)pyridine hydrochloride
C9H7ClF3N3 (249.02805679999997)
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
C11H17Cl2NO (249.06871320000002)
(2S,3R)-2-Methyl-5-oxo-4-(phenylmethyl)-3-Morpholinecarboxylic acid
2-benzoyl-3,3-di(methylthio)acrylonitrile
C12H11NOS2 (249.02820359999998)
(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanol
C12H15N3OS (249.09357799999998)
(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
C15H11N3O (249.09020759999999)
1-(PIPERAZIN-1-YL)ISOQUINOLINE HYDROCHLORIDE
C13H16ClN3 (249.10326859999998)
1H-INDAZOLE, 6-CHLORO-3-(1-METHYL-4-PIPERIDINYL)-
C13H16ClN3 (249.10326859999998)
(4-methoxyphenyl)(phenyl)methanamine hydrochloride
C14H16ClNO (249.09203559999997)
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-(tert-Butoxycarbonyl)-L-methionine-1-13C
C10H19NO4S (249.10347339999998)
ETHYL 5-ISOPROPYL-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZINE-6-CARBOXYLATE
ethyl 5-amino-1-(4-fluorophenyl)pyrazole-4-carboxylate
3-(4-Fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid ethyl ester
2-CHLORO-N-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)ACETAMIDE
C12H12ClN3O (249.06688519999997)
4-(Benzyloxy)-3-methylaniline hydrochloride
C14H16ClNO (249.09203559999997)
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
C12H11NOS2 (249.02820359999998)
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
9,10-DIHYDRO-4H-BENZO(4,5)CYCLOHEPTA(1,2-B)THIOPHEN-4-ONE
6-(1-chloroethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
PIPERIDINE-3-CARBOXYLIC ACID (4-NITRO-PHENYL)-AMIDE
PIPERIDINE-4-CARBOXYLIC ACID (4-NITRO-PHENYL)-AMIDE
PIPERIDINE-4-CARBOXYLIC ACID (2-NITRO-PHENYL)-AMIDE
5-CHLORO-2-CYANOPHENYLBORONIC ACID NEOPENTYL GLYCOL ESTER
C12H13BClNO2 (249.07278180000003)
7-CHLORO-2-METHYL-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
4-(4-AMINOBUTYL)AMINO-7-CHLOROQUINOLINE
C13H16ClN3 (249.10326859999998)
1-Fluoro-4-[(4-nitrophenyl)sulfanyl]benzene
C12H8FNO2S (249.02597599999999)
1,3,5-Triazin-2(1H)-one, 4,6-diphenyl-
C15H11N3O (249.09020759999999)
(S)-2-(((Benzyloxy)carbonyl)amino)pent-4-enoic acid
2-Isopropoxy-5-(trifluoromethyl)pyridine-3-boronic acid
C9H11BF3NO3 (249.07840420000002)
[4-(4-methylphenoxy)phenyl]methanamine,hydrochloride
C14H16ClNO (249.09203559999997)
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
C14H13ClFN (249.07205000000002)
4-(2-chloroquinazolin-4-yl)morpholine
C12H12ClN3O (249.06688519999997)
4-Chloro-2-(4-Morpholinyl)quinazoline
C12H12ClN3O (249.06688519999997)
6-(1-Piperazinyl)isoquinoline hydrochloride (1:1)
C13H16ClN3 (249.10326859999998)
ethyl 2-cyano-2-(4-methyl-3-nitropyridin-2-yl)acetate
1H-INDAZOLE, 5-CHLORO-1-METHYL-3-(4-PIPERIDINYL)-
C13H16ClN3 (249.10326859999998)
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
C12H15N3OS (249.09357799999998)
4-ethyl-3-[(2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
C12H15N3OS (249.09357799999998)
5-(1-piperazinyl)-isoquinoline HCl
C13H16ClN3 (249.10326859999998)
trimethyl-(2,3,4-trifluoro-5-nitrophenyl)silane
C9H10F3NO2Si (249.04328759999999)
4-ETHYL-5-[(4-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
C12H15N3OS (249.09357799999998)
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
C12H15N3OS (249.09357799999998)
2-AMINO-4-CHLORO-2-FLUOROBENZOPHENONE
C13H9ClFNO (249.03566659999998)
(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
C12H12ClN3O (249.06688519999997)
2-(4-Phenoxyphenyl)ethanamine hydrochloride (1:1)
C14H16ClNO (249.09203559999997)
Benzoxiquine
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
2-METHYL-OXAZOLE-4-CARBOXYLICACIDMETHYLESTER
C14H16ClNO (249.09203559999997)
4-(2-TRIFLUOROMETHYL-PHENOXY)-PIPERIDINEHYDROCHLORIDE
C14H16ClNO (249.09203559999997)
4-(2-AMINOETHYL)BENZOICACIDHYDROCHLORIDE
C14H16ClNO (249.09203559999997)
2-Chloro-N4-(2-methypropyl)-3,4-quinolinediamine
C13H16ClN3 (249.10326859999998)
6-(chloromethyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
3-AMINO-3-(2-TRIFLUOROMETHOXY-PHENYL)-PROPIONIC ACID
8-(1-Piperazinyl)isoquinoline hydrochloride (1:1)
C13H16ClN3 (249.10326859999998)
POLY(ACRYLONITRILE-CO-VINYLIDENE CHLORIDE-CO-METHYL METHACRYLATE)
2-Chloro-6-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
C12H13BClNO2 (249.07278180000003)
3-CHLORO-2-[(4-METHYLPHENYL)THIO]ANILINE
C13H12ClNS (249.03789419999998)
(s)-3-amino-4-(4-chlorophenyl)butanoic acid hydrochloride
(S)-3-Amino-4-(2-chlorophenyl)butyric acid hydrochloride
3-(4-METHYLPHENOXY)BENZYLAMINE HYDROCHLORIDE
C14H16ClNO (249.09203559999997)
1-PHENYL-3-PYRIDIN-4-YL-1H-PYRAZOLE-4-CARBALDEHYDE
C15H11N3O (249.09020759999999)
2-(2-methyl-5-nitroimidazol-1-yl)ethyl methanesulfonate
1,2,4-Triazin-3(2H)-one,5,6-diphenyl-
C15H11N3O (249.09020759999999)
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
7-(BENZYLOXY)-1H-INDAZOLE-3-CARBONITRILE
C15H11N3O (249.09020759999999)
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
N-tert-Butoxycarbonyl-3-mercapto-L-valine
C10H19NO4S (249.10347339999998)
1-(3-HYDROXYPHENYL)-1-METHOXY-1-(2-THIAZOLYL)-PROPANE
1-(3-fluoro-5-trifluoromethylpyridin-2-yl)piperazine
1-(6-(quinoxalin-2-yl)pyridin-2-yl)ethanone
C15H11N3O (249.09020759999999)
1-PYRIDIN-2-YL-[1,4]DIAZEPANE DIHYDROCHLORIDE
C10H17Cl2N3 (249.07994620000002)
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
Benzenamine,4-[[(4-chlorophenyl)thio]methyl]-
C13H12ClNS (249.03789419999998)
(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
N-(4-Chlorobenzyl)-2-fluorobenzylamine
C14H13ClFN (249.07205000000002)
2-Chloro-N-(4-fluorobenzyl)-4-Methylaniline
C14H13ClFN (249.07205000000002)
2-Chloro-N-(3-fluorobenzyl)-4-Methylaniline
C14H13ClFN (249.07205000000002)
(S)-3-(4-Fluoro-benzenesulfinyl)-pyrrolidine hydrochloride
2-Propenoic acid, 4-cyano[1,1-biphenyl]-4-yl ester
Clorprenaline hydrochloride
C11H17Cl2NO (249.06871320000002)
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)
C11H8FN3O3 (249.05496699999998)
METHYL 7-ALLYL-6-HYDROXY-5-OXO-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYATE
N-Acetyl-S-(3-carboxy-1-methylpropyl)-L-cysteine
C9H15NO5S (249.06708999999998)
5-(1-METHYL-PYRROLIDIN-2-YL)-PYRIDIN-2-YLAMINEDIHYDROCHLORIDE
C10H17Cl2N3 (249.07994620000002)
1-(4-METHOXY-BENZYL)-5-OXO-PYRROLIDINE-3-CARBOXYLIC ACID
2-Propoxy-5-(trifluoromethyl)pyridine-3-boronic acid
C9H11BF3NO3 (249.07840420000002)
1-(3-PHENYL-2-PROPENOYL)-1H-BENZOTRIAZO&
C15H11N3O (249.09020759999999)
(2E)-2-(6-nitro-4-oxochromen-3-ylidene)acetic acid
3-(2-NITROPHENYL)-2-PROPENOIC ACID1,1-DIMETHYLETHYL ESTER
2-bromo-N-tert-butyl-3,3-dimethylbutanamide
C10H20BrNO (249.07281700000001)
4-(4-chlorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
C13H12ClNS (249.03789419999998)
[2-(3-chloro-phenyl)-ethyl]-(4-fluoro-phenyl)-amine
C14H13ClFN (249.07205000000002)
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
C12H12ClN3O (249.06688519999997)
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethylsulfamide
C6H11N5O4S (249.05317259999998)
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
C14H16ClNO (249.09203559999997)
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
C12H15N3OS (249.09357799999998)
N-(4-ethoxyphenyl)-1,2,5-thiadiazole-3-carboxamide
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide
C12H15N3OS (249.09357799999998)
(E)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(furan-2-yl)acrylamide
3-(Dimethylamino)-5-(trifluoromethyl)pyridine-2-carbothioamide
C9H10F3N3S (249.05474959999998)
L-gamma-glutamyl-L-cysteinate(1-)
C8H13N2O5S- (249.05451480000002)
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
(2R)-2-(Acetylamino)-3-(1,1-dimethyl-3-hydroxypropylthio)propionic acid
C10H19NO4S (249.10347339999998)
5-(4-Chlorophenyl)-6-ethylpyrimidin-3-ium-2,4-diamine
(2Z,2E)-2-hydroxy-6-oxo-6-(2,3-dihydroxyphenyl)-hexa-2,4-dienoate
[(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
C12H11NOS2 (249.02820359999998)
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
C12H15N3OS (249.09357799999998)
Propionylamino-acetic acid 2-oxo-2-phenyl-ethyl ester
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]pyridin-2-amine
Ala-Cys-Gly
C8H15N3O4S (249.07832299999998)
A tripeptide composed of L-alanine, L-cysteine, and glycine joined in sequence by peptide linkages.
5-(3-Butoxyphenyl)-1,3,4-thiadiazol-2-amine
C12H15N3OS (249.09357799999998)
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
C14H13ClFN (249.07205000000002)
N-Acetyl-S-(2-carbamoyl-2-hydroxyethyl)-L-cysteine
C8H13N2O5S- (249.05451480000002)
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
C12H13N2O2S+ (249.06976980000002)
2-[(4-Methoxy-1-benzouran-5-carbonyl)amino]acetic acid
1H-Indole-2,3-dione, 5-methoxy-1-(trimethylsilyl)-
C12H15NO3Si (249.08211599999998)
ML351
C15H11N3O (249.09020759999999)
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
C15H11N3O (249.09020759999999)
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"}
(2z)-n-methyl-n-[2-(methylsulfanyl)acetyl]-3-phenylprop-2-enamide
3,5-dihydroxy-7-methyl-2-[(1e)-pent-1-en-1-yl]-7h-pyrano[2,3-c]pyrrol-4-one
1,9,10-trihydroxy-3-methylidene-6-(prop-1-en-1-yl)-2-azaspiro[4.5]deca-1,7-dien-4-one
(3s,5s)-3-hydroxy-5-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrrolidine-2,4-dione
3-hydroxy-6-methoxy-1-methyl-3-(2-oxopropyl)indol-2-one
4-[(2-carboxy-2-hydroxyethyl)sulfanyl]piperidine-2-carboxylic acid
C9H15NO5S (249.06708999999998)
(4s)-7-acetyl-4-isopropyl-1h,4h-pyrido[2,1-c][1,4]oxazine-3,8-dione
(2s)-2-amino-3-(4-nitro-1h-indol-3-yl)propanoic acid
(3r)-3-hydroxy-6-methoxy-1-methyl-3-(2-oxopropyl)indol-2-one
5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-1(19),2,4(8),9,13,15,17-heptaene
3,5-dihydroxy-7-methyl-2-(pent-1-en-1-yl)-7h-pyrano[2,3-c]pyrrol-4-one
1-(1h-pyrrol-2-yl)-9h-pyrido[3,4-b]indol-6-ol
C15H11N3O (249.09020759999999)
7-methylidene-2-(penta-1,3-dien-1-yl)-2h,3h,4h-pyrano[2,3-c]pyrrole-3,4,5-triol
(5s,6r,9r,10s)-1,9,10-trihydroxy-3-methylidene-6-[(1e)-prop-1-en-1-yl]-2-azaspiro[4.5]deca-1,7-dien-4-one
n-methyl-n-[2-(methylsulfanyl)acetyl]-3-phenylprop-2-enamide
(8-hydroxy-4-methoxyquinolin-2-yl)(methylsulfanyl)methanone
(2r,4s)-4-{[(2r)-2-carboxy-2-hydroxyethyl]sulfanyl}piperidine-2-carboxylic acid
C9H15NO5S (249.06708999999998)
