Exact Mass: 319.13321300000007
Exact Mass Matches: 319.13321300000007
Found 500 metabolites which its exact mass value is equals to given mass value 319.13321300000007,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Norfloxacin
C16H18FN3O3 (319.13321300000007)
Norfloxacin is only found in individuals that have used or taken this drug. It is a synthetic fluoroquinolone (fluoroquinolones) with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin inhibits bacterial DNA gyrase. [PubChem]The bactericidal action of Norfloxacin results from inhibition of the enzymes topoisomerase II (DNA gyrase) and topoisomerase IV, which are required for bacterial DNA replication, transcription, repair, and recombination. Norfloxacin is a broad-spectrum antibiotic that is active against both gram-positive and gram-negative bacterias. The fluorine atom at the 6 position increases potency against gram-negative organisms, and the piperazine moiety at the 7 position is responsible for anti-pseudomonal activity J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AE - Fluoroquinolones D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 232 CONFIDENCE standard compound; INTERNAL_ID 1032
Metconazole
C17H22ClN3O (319.14513120000004)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3171 CONFIDENCE standard compound; INTERNAL_ID 589; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9898; ORIGINAL_PRECURSOR_SCAN_NO 9895 CONFIDENCE standard compound; INTERNAL_ID 589; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9890; ORIGINAL_PRECURSOR_SCAN_NO 9888 CONFIDENCE standard compound; INTERNAL_ID 589; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9838; ORIGINAL_PRECURSOR_SCAN_NO 9837 CONFIDENCE standard compound; INTERNAL_ID 589; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9910; ORIGINAL_PRECURSOR_SCAN_NO 9909 CONFIDENCE standard compound; INTERNAL_ID 589; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9790; ORIGINAL_PRECURSOR_SCAN_NO 9789 CONFIDENCE standard compound; INTERNAL_ID 589; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9852; ORIGINAL_PRECURSOR_SCAN_NO 9851 CONFIDENCE standard compound; INTERNAL_ID 8446 CONFIDENCE standard compound; INTERNAL_ID 2583
Chloroquine
Chloroquine is only found in individuals that have used or taken this drug. It is a prototypical antimalarial agent with a mechanism that is not well understood. It has also been used to treat rheumatoid arthritis, systemic lupus erythematosus, and in the systemic therapy of amebic liver abscesses. [PubChem]The mechanism of plasmodicidal action of chloroquine is not completely certain. Like other quinoline derivatives, it is thought to inhibit heme polymerase activity. This results in accumulation of free heme, which is toxic to the parasites. nside red blood cells, the malarial parasite must degrade hemoglobin to acquire essential amino acids, which the parasite requires to construct its own protein and for energy metabolism. Digestion is carried out in a vacuole of the parasite cell.During this process, the parasite produces the toxic and soluble molecule heme. The heme moiety consists of a porphyrin ring called Fe(II)-protoporphyrin IX (FP). To avoid destruction by this molecule, the parasite biocrystallizes heme to form hemozoin, a non-toxic molecule. Hemozoin collects in the digestive vacuole as insoluble crystals.Chloroquine enters the red blood cell, inhabiting parasite cell, and digestive vacuole by simple diffusion. Chloroquine then becomes protonated (to CQ2+), as the digestive vacuole is known to be acidic (pH 4.7); chloroquine then cannot leave by diffusion. Chloroquine caps hemozoin molecules to prevent further biocrystallization of heme, thus leading to heme buildup. Chloroquine binds to heme (or FP) to form what is known as the FP-Chloroquine complex; this complex is highly toxic to the cell and disrupts membrane function. Action of the toxic FP-Chloroquine and FP results in cell lysis and ultimately parasite cell autodigestion. In essence, the parasite cell drowns in its own metabolic products. P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BA - Aminoquinolines COVID info from Guide to PHARMACOLOGY, DrugBank, clinicaltrial, clinicaltrials, clinical trial, clinical trials D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D018501 - Antirheumatic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1-Carbazol-9-yl-3-(3,5-dimethylpyrazol-1-yl)-propan-2-ol
Tetrodotoxin
A quinazoline alkaloid that is a marine toxin isolated from fish such as puffer fish. It has been shown to exhibit potential neutotoxicity due to its ability to block voltage-gated sodium channels. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker Tetrodotoxin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=4368-28-9 (retrieved 2024-09-06) (CAS RN: 4368-28-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
ci no 52015
C16H18ClN3S (319.09098980000005)
V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AB - Antidotes V - Various > V04 - Diagnostic agents > V04C - Other diagnostic agents > V04CG - Tests for gastric secretion COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-[2-[[4-[[3-Aminopropyl]amino]butyl]amino]-2-oxoethyl]-2-hydroxybutanedioic acid
Tryptophyl-Aspartate
Tryptophyl-Aspartate is a dipeptide composed of tryptophan and aspartate. 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.
Aspartyl-Tryptophan
Aspartyl-Tryptophan is a dipeptide composed of aspartate and tryptophan. 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.
Ibandronate
Ibandronate is a nitrogen-containing bisphosphonate in the same class as alendronate and risedronate. Ibandronate inhibits osteoclast-mediated bone resorption. All of the bisphosphonates prevent the breakdown of bone by bone cells called osteoclasts. In persons who are at high risk for osteoporosis, bisphosphonates not only result in increased amounts of bone and bone strength, they also reduce the risk of hip fractures and other bone fractures. 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
Salbutamol 4-O-sulfate
C13H21NO6S (319.10895260000007)
Salbutamol 4-O-sulfate is a metabolite of salbutamol. Salbutamol or albuterol is a short-acting β2-adrenergic receptor agonist used for the relief of bronchospasm in conditions such as asthma and chronic obstructive pulmonary disease. It is marketed as Ventolin among other brand names. Salbutamol was the first selective β2-receptor agonist to be marketed — in 1968. It was first sold by Allen & Hanburys under the brand name Ventolin. The drug was an instant success, and has been used for the treatment of asthma ever since. (Wikipedia)
(2S)-2-Hydroxy-2-(propan-2-yl)butanedioylcarnitine
(2S)-2-hydroxy-2-(propan-2-yl)butanedioylcarnitine is an acylcarnitine. More specifically, it is an (2S)-2-hydroxy-2-(propan-2-yl)butanedioic 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. (2S)-2-hydroxy-2-(propan-2-yl)butanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2S)-2-hydroxy-2-(propan-2-yl)butanedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 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].
N-(p-Toluenesulfonyl)-L-phenylalanine
C16H17NO4S (319.08782420000006)
5,9:7,10a-Dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol, octahydro-12-(hydroxymethyl)-2-imino-,(4R,4aR,5R,7S,9S,10S,10aR,11S,12S)-
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D049990 - Membrane Transport Modulators
1-(2-Methylbenzo[d]oxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
Cocaine-alcohol
N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline
C13H21NO6S (319.10895260000007)
Imidafenacin
G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BD - Drugs for urinary frequency and incontinence C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent Imidafenacin (KRP-197; ONO-8025) is a potent and selective inhibitor of M3 receptors.
Oxetorone
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations
1,3-Propanediol, 2-((3-fluoranthenylmethyl)amino)-2-methyl-
4-Hydroxy-5-[3-[(1-methylcyclohexyl)methoxy]phenyl]-3H-1,3-thiazol-2-one
C17H21NO3S (319.12420760000003)
Cynaustine
Cynaustine belongs to alkaloids and derivatives class of compounds. Those are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic propertiesand is also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. Cynaustine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cynaustine can be found in borage, which makes cynaustine a potential biomarker for the consumption of this food product.
alpha-[(3-Amino-3-carboxy-2-hydroxypropyl)amino]-2-carboxy-1-azetidinebutanoic acid
C12H21N3O7 (319.13794359999997)
2-chloro-3-(octylamino)-1,4-dihydronaphthalene-1,4-dione
C18H22ClNO2 (319.13389820000003)
tert-Butyl N-{2-[2-amino-4-(trifluoromethyl)anilino]ethyl}carbamate
C14H20F3N3O2 (319.15075360000003)
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-furyl)-2,6-dimethyl-, diethyl ester
6-methoxy-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine
9,10-methanediyldioxy-1-methyl-lycoranane-5alpha,7xi-diol|dihydrocliviasine|Radiatin|radiatine
Decarine
A natural product found particularly in Zanthoxylum caudatum and Zanthoxylum viride.
(3R)-(-)-7,8-dimethoxygeibalansine|(3R)-(-)-8,9-dimethoxygeibalansine
9-(4-aminophenyl)-7-hydroxy-2,4,6-trimethyl-9-oxonon-2-enoic acid
1-N-beta-D-ribofuranosylmakaluvamine I|N-1-beta-D-ribofuranosylmakalucamine I|N-1-beta-D-ribofuranosylmakaluvamine I
(+)-7-(2-hydroxy-3-methyl-butyl)-6-methoxy-9-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one|(+)-lunidine|Lunidin|Lunidine
(2S,4S,10R)-4-(3-hydroxy-4-methoxyphenyl)-quinolizidin-2-acetate
4-methoxy-1-methyl-3-(2S-acetoxy-3-hydroxy-butyl)-2-quinolone
9-(4-aminophenyl)-3,7-O-cyclo-2,4,6-trimethyl-9-oxo-nonanoic acid
(S)-2-(3,4-dihydroxybenzoylamino)-3-(3,4-dihydroxyphenyl)propanol|nigerrimin B
8-(4-O-methyl-alpha-rhamnopyranosyloxy)-2-methyquinoline
(1R*,3S*)-1-(5-hydroxymethylfuran-2-yl)-3-carboxy-6-hydroxy-8-methoxy-1,2,3,4-tetrahydroisoquinoline
2-(3,4-dihydro-2-methoxy-4-oxoquinazolinyl)-1H-indole-3-carboxaldehyde|orirenierine B
C18H13N3O3 (319.09568680000007)
2-Hydroxynicotianamine|2-hydroxynicotianamine
C12H21N3O7 (319.13794359999997)
(Xi)-2,3-dihydroxy-2-phenyl-propionic acid (2R)-4-methyl-(3at,6at)-hexahydro-2r,5c-methano-furo[3,2-b]pyrrol-6c-yl ester
(2R)-2-acetamido-3-(5-hydroxy-2-pentyloxolan-3-yl)sulfanylpropanoic acid
C14H25NO5S (319.14533600000004)
Hydroxyevodiamine
chloroquine
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BA - Aminoquinolines COVID info from Guide to PHARMACOLOGY, DrugBank, clinicaltrial, clinicaltrials, clinical trial, clinical trials D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D018501 - Antirheumatic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Confoline
Origin: Plant; SubCategory_DNP: Alkaloids derived from ornithine, Tropane alkaloids
1,N2-6-Oxo-malondialdehyde-deoxyguanosine
C13H13N5O5 (319.09166480000005)
4-hydroxy Nonenal Mercapturic Acid
C14H25NO5S (319.14533600000004)
H-1152
C16H21N3O2S (319.13544060000004)
Albuterol (Salbutamol-4-O-sulfate)
C13H21NO6S (319.10895260000007)
Ibandronate
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
Asp-TRP
A dipeptide formed from L-alpha-aspartyl and L-tryptophan residues.
TRP-Asp
A dipeptide formed from L-tryptophan and L-aspartic acid residues.
1-[(tert-butyl)oxycarbonyl]-3-benzylpiperidine-3-carboxylic acid
(5-Isopropoxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-2-y l)boronic acid
(S)-(+)-Norepinephrine L-bitartrate
C12H17NO9 (319.09032720000005)
N2-CYCLOPROPYL-N3-(PIPERIDIN-4-YL)QUINOXALINE-2,3-DIAMINE HYDROCHLORIDE
METHYL 2-((TERT-BUTOXYCARBONYL)AMINO)-5-(TRIFLUOROMETHYL)BENZOATE
ETHYL5-CHLOROTHIOPHENE-2-CARBOXLATE
C17H21NO3S (319.12420760000003)
(r)-phenyl-(toluene-4-sulfonylamino)-acetic acid methyl ester
C16H17NO4S (319.08782420000006)
TERT-BUTYL 2-(4-(METHOXYCARBONYL)-2-METHYLPHENYL)PYRROLIDINE-1-CARBOXYLATE
4-BENZYL-1-(TERT-BUTOXYCARBONYL)PIPERIDINE-4-CARBOXYLIC ACID
methyl 3-[(2,4-dimethylphenyl)sulfonylamino]benzoate
C16H17NO4S (319.08782420000006)
METHYL 2-(4-METHYLPHENYLSULFONAMIDO)-2-PHENYLACETATE
C16H17NO4S (319.08782420000006)
(R)-2-(4-Methylphenylsulfonamido)-3-phenylpropanoicacid
C16H17NO4S (319.08782420000006)
Proquinolate
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent
METHYL 4-(ETHYLCARBAMOYL)-2,3-DIFLUORO-[1,1-BIPHENYL]-3-CARBOXYLATE
C17H15F2NO3 (319.1019944000001)
TERT-BUTYL-N-(2-[2-AMINO-4-(TRIFLUOROMETHYL)ANILINO]ETHYL)CARBAMATE
C14H20F3N3O2 (319.15075360000003)
N[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]-SUCCINAMIC ACID
[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-5-azido-6-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]methyl acetate
2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-1-ethanol
C13H16F3N3O3 (319.11437020000005)
Butanoic acid, 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-3-methyl-, 1,1-dimethylethyl ester, (2R)-
(2R)-2-[(4-Ethyl-2,3-dioxopiperazinyl)carbonylamino]-2-phenylacetic acid
1-Azulenesulfonic acid, 3,8-dimethyl-5-(1-methylethyl)-, sodium salt, hydrate (2:2:1)
Methenamine hippurate
C15H21N5O3 (319.16443160000006)
C254 - Anti-Infective Agent > C255 - Urinary Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents
1-Benzyl 3-methyl 3-isopropyl-1,3-piperidinedicarboxylate
3-(2-Benzyl(methyl)aminoethyl)benzoic acid methyl ester hydrochloride
C18H22ClNO2 (319.13389820000003)
2-[2-(4-morpholin-4-ylanilino)-1,3-thiazol-4-yl]acetic acid
C15H17N3O3S (319.09905720000006)
N-(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-2-naphthalenecarboxamide
C18H13N3O3 (319.09568680000007)
4-(6-METHOXY-2-NAPHTHYL)-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE
2-[4-(4-hydroxybut-2-ynyl)piperazin-1-yl]-3-nitrobenzoic acid
Ro 19-4603
C15H17N3O3S (319.09905720000006)
Oxetorone
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist
dimethyl 4-(3-methoxy-3-oxopropyl)-4-nitroheptanedioate
(1R,2S)-2-(3,4-DIFLUOROPHENYL)CYCLOPROPANAMINE (2R,3R)-2,3-DIHYDROXYSUCCINATE
Butanoic acid, 2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-3-methyl-, 1,1-dimethylethyl ester, (2S)-
N-[5-Acetyl-2-(benzyloxy)phenyl]methanesulfonamide
C16H17NO4S (319.08782420000006)
(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(4-ETHYLPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
Methanone, [4-(4-chlorophenyl)-1-piperazinyl](3,5-dimethyl-4-isoxazolyl)
(R)-ethyl 2-(1-(benzyloxycarbonyl)ethyl)thiazole-5-carboxylate
C16H17NO4S (319.08782420000006)
TERT-BUTYL 4-HYDROXYSPIRO[CHROMAN-2,4-PIPERIDINE]-1-CARBOXYLATE
3-(4-Cyanophenyl)propenoic acid 4-pentylphenyl ester
(E)-P,P-diphenyl-N-(1-phenylethylidene)phosphinic amide
Methanone, [4-(2-chlorophenyl)-1-piperazinyl](3,5-dimethyl-4-isoxazolyl)-
(1-(tert-Butoxycarbonyl)-7-(methoxycarbonyl)-1H-indol-2-yl)boronic acid
C15H18BNO6 (319.12271180000005)
[4-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
C15H18BNO6 (319.12271180000005)
(1-(tert-Butoxycarbonyl)-6-(methoxycarbonyl)-1H-indol-2-yl)boronic acid
C15H18BNO6 (319.12271180000005)
(1S,2S)-1-(DIPHENYLPHOSPHINO)-1-PHENYLPROPAN-2-AMINE
tert-butyl 4-(4-formylbenzyloxy)piperidine-1-carboxylate
METHYL 2-((ISOPROPOXYCARBONYL)AMINO)-5-METHYL-4-(TRIFLUOROMETHYL)BENZOATE
[(1R)-1-(benzyloxycarbonylamino)-2-phenyl-ethyl]phosphinic acid
C16H18NO4P (319.09733980000004)
ethyl (E,2S)-2-(tert-butoxycarbonylamino)-5-phenyl-pent-3-enoate
(1-(tert-Butoxycarbonyl)-5-(methoxycarbonyl)-1H-indol-2-yl)boronic acid
C15H18BNO6 (319.12271180000005)
N-[N-Methyl-N-((2-isopropyl-4-thiazolyl)methyl)aminocarbonyl]-L-valine lithium salt
C14H22LiN3O3S (319.15418520000003)
Sumanirole Maleate
Sumanirole maleate (U-95666E; PNU-95666E) is a highly selective D2 receptor full agonist with an ED50 of about 46 nM. Sumanirole plays an important role in the research of Parkinson's disease and restless leg syndrome[1].
METHYL N-P-TOLUENESULFONYL-L-2-PHENYLGLYCINATE
C16H17NO4S (319.08782420000006)
Ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)-3-oxobutanoate
1-BENZYL-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE
C18H22ClNO2 (319.13389820000003)
Cilansetron
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AE - Serotonin receptor antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist
1,3-Piperidinedicarboxylic acid, 3-(phenylmethyl)-, 1-(1,1-dimethylethyl) ester, (3R)-
(2S)-5-Oxo-1,2-pyrrolidinedicarboxylic acid 2-(1,1-dimethylethyl) 1-(phenylmethyl) ester
9,10 - dimethylacridinium methyl sulfate
C16H17NO4S (319.08782420000006)
Tert-Butyl 6-Fluoro-3-Oxo-2,3-Dihydrospiro[Indene-1,4-Piperidine]-1-Carboxylate
1,1-BIPHENYL]-3-ACETAMIDE, N-[(3-FLUOROPHENYL)METHYL]-
(4-amino-3-methyl-phenyl)-bis(4-aminophenyl)methanol
3-[3-Acetyl-4-hydroxy-2-(4-methoxy-phenyl)-5-oxo-2,5-dihydro-pyrrol-1-yl]-propionic acid
Methyl 3-(benzyloxy)-1-(2,2-dihydroxyethyl)-4-oxo-1,4-dihydropyridine-2-carboxylate
(3-Fluoro-4-(((4-methoxybenzyl)oxy)carbamoyl)phenyl)boronic acid
4-CARBOXYMETHYL-4-PHENYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-[benzyl-(4-methylphenyl)sulfonyl-amino]acetic acid
C16H17NO4S (319.08782420000006)
(S)-2-Methyl-1-[(4-methyl-5-isoquinoline)sulfonyl]-homopiperazine
C16H21N3O2S (319.13544060000004)
6-Chloro-4-(cyclohexyloxy)-3-propylquinolin-2(1H)-one
C18H22ClNO2 (319.13389820000003)
Tesmilifene hydrochloride
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C210 - Immunoadjuvant > C2141 - Chemo Immunostimulant Adjuvant C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C1892 - Chemopreventive Agent C2140 - Adjuvant
(2R)-2-acetamido-3-(4-hydroxy-1-oxononan-3-yl)sulfanylpropanoic acid
C14H25NO5S (319.14533600000004)
2-([(4-Methylphenyl)sulfonyl]amino)-3-phenylpropanoic acid
C16H17NO4S (319.08782420000006)
1,3-Propanediol, 2-((3-fluoranthenylmethyl)amino)-2-methyl-
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
1-[1-(3-Fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
C16H18FN3O3 (319.13321300000007)
Glycine, N-(N-L-methionyl-L-leucyl)-
C13H25N3O4S (319.15656900000005)
1-Cyclohexyl-3-(6-ethoxy-1,3-benzothiazol-2-yl)urea
C16H21N3O2S (319.13544060000004)
4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-methyl-1-phthalazinone
1H-Indole-3-acetic acid, 1-(trimethylsilyl)-, trimethylsilyl ester
6-Chloro-4-(cyclohexyloxy)-3-isopropylquinolin-2(1H)-one
C18H22ClNO2 (319.13389820000003)
5-(2-Fluorophenyl)-N-(Pyridin-4-Ylmethyl)pyrazolo[1,5-A]pyrimidin-7-Amine
(11R,13S)-3-amino-5,12,13,14-tetrahydroxy-14-(hydroxymethyl)-8,10-dioxa-2-aza-4-azoniatetracyclo[7.3.1.17,11.01,6]tetradec-3-en-9-olate
N-(7-Carbamimidoyl-naphthalen-1-YL)-3-hydroxy-2-methyl-benzamide
6-Amino-4-[2-(4-methylphenyl)ethyl]-1,7-dihydro-8H-imidazo[4,5-G]quinazolin-8-one
6-(2-Fluorophenyl)-N-(Pyridin-3-Ylmethyl)imidazo[1,2-A]pyrazin-8-Amine
{2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
ibandronic 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
Imidafenacin
G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BD - Drugs for urinary frequency and incontinence C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent Imidafenacin (KRP-197; ONO-8025) is a potent and selective inhibitor of M3 receptors.
1-[3-(3,4,5-Trimethoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one
(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate
6-Methyl-5-[3-(3-nitrophenoxy)propoxy]pyrimidine-2,4-diamine
N-Ethyl-N-(2-hydroxy-3-sulfopropyl)-3,5-dimethoxyaniline
C13H21NO6S (319.10895260000007)
(2S)-2-Hydroxy-2-(propan-2-yl)butanedioylcarnitine
Methyl 3-benzoyloxy-2-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
1-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperidin-2-one
(11S,13S)-3-Amino-5,12,13,14-tetrahydroxy-14-(hydroxymethyl)-8,10-dioxa-2-aza-4-azoniatetracyclo[7.3.1.17,11.01,6]tetradec-3-en-9-olate
gamma-d-Glutamyl-meso-diaminopimelic acid
C12H21N3O7 (319.13794359999997)
The gamma-D-glutamyl derivative of meso-diaminopimelic acid. Minimal ligand of NOD1.
(2S)-2-cyano-1-(4-phenyl-L-phenylalanyl)pyrrolidine
N-[2-(1-azepanyl)-1,3-benzothiazol-6-yl]carbamic acid ethyl ester
C16H21N3O2S (319.13544060000004)
1-[[(1,5-Dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-(2-methoxyphenyl)thiourea
3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[(2-fluorophenyl)methyl] ester
1-(4-Ethyl-2-pyridinyl)-3-(4-methylphenyl)sulfonylurea
C15H17N3O3S (319.09905720000006)
Leu-Thr-Ser
A tripeptide composed of L-leucine, L-threonine and L-serine joined in sequence by peptide linkages.
N-(2-furanylmethyl)-1-(4-methoxyphenyl)-5-benzimidazolamine
2-(4-Methoxyphenyl)-5-[(2-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
2-[(7-Hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methylamino]-4-methylpentanoic acid
4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (5-methoxycarbonyl-2-furanyl)methyl ester
2-(9-Ethyl-6-indolo[3,2-b]quinoxalinyl)acetic acid methyl ester
N-(1,3-benzodioxol-5-ylmethyl)-4-benzofuro[3,2-d]pyrimidinamine
C18H13N3O3 (319.09568680000007)
5-(4-Methoxyphenyl)-7-(4-methylphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine
4-[4-[Cyclohexyloxy(oxo)methyl]anilino]-4-oxobutanoic acid
7,8-Dimethoxy-5-methyl-3-phenylpyrazolo[3,4-c]isoquinoline
2-(4-Chlorophenyl)-4-(ethylthio)-6-(1-pyrrolidinyl)pyrimidine
C16H18ClN3S (319.09098980000005)
N-[2-(1-cyclohexenyl)ethyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine
N-(4-fluorophenyl)-1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinamine
2,3-Dihydro-1,4-dioxin-5-carboxylic acid [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] ester
1-methyl-N-[4-(4-morpholinyl)phenyl]-2-quinolinimine
(3Z)-3-[(2E,4E,6E)-1-hydroxydodeca-2,4,6-trien-1-ylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione
1-(4-Methoxyanilino)-3-(4-methoxyphenyl)sulanylpropan-2-ol
C17H21NO3S (319.12420760000003)
N-cycloheptyl-2-[(E)-(3-nitrophenyl)methylideneamino]oxyacetamide
6-(2-methyl-3-furanyl)-N-[(5-methyl-2-furanyl)methyl]-4-quinazolinamine
6-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)-4-quinazolinamine
(2R,6S)-2-amino-6-[[(4R)-4-amino-4-carboxybutanoyl]amino]heptanedioic acid
C12H21N3O7 (319.13794359999997)
1-Cyclopropyl-4-oxo-5-methyl-6-fluoro-7-[(2-aminoethyl)amino]-1,4-dihydroquinoline-3-carboxylic acid
C16H18FN3O3 (319.13321300000007)
2-(1-Ethyl-1H-indol-2-yl)-1-methyl-1H-benzimidazole-6-carboxylic acid
5-(1,4-Diazepan-1-ylsulfonyl)-4-ethylisoquinoline
C16H21N3O2S (319.13544060000004)
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-pyrimidinylthio)-1-propanamine
C16H21N3O2S (319.13544060000004)
[(1R,2S,4S,5S)-9-methyl-9-oxido-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
3-(2-aminoethyl)-6-methoxy-1H-indol-5-ol;2-amino-3-methyl-4H-imidazol-5-one
C15H21N5O3 (319.16443160000006)
(3R)-9-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxynonanoate
(3R,8R)-8-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxynonanoate
3-(2-aminoethyl)-7-methoxy-1H-indol-5-ol;2-amino-3-methyl-4H-imidazol-5-one
C15H21N5O3 (319.16443160000006)
(11S,13S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol
(2S)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenoxy)propanamide
(N-Trifluoroacetylamino)methylphosphonic acid dibutyl ester
C11H21F3NO4P (319.11602320000003)
4-(2,3-Diacetyloxypropoxy)-2-(trimethylazaniumyl)butanoate
3-Methyl-4-phenacyl-1-para-tolyl-3-pyrroline-2,5-dione
N-(2-Propenoxybenzylidene)bis(trimethylsilyl)methylamine
norfloxacin
C16H18FN3O3 (319.13321300000007)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AE - Fluoroquinolones D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
Mycophenolate
A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of mycophenolic acid.
pyranonigrin I
A member of the class of pyrrolidin-2-ones with formula C18H25NO4, originally isolated from Aspergillus niger.
1-Carbazol-9-yl-3-(3,5-dimethyl-pyrazol-1-yl)-propan-2-ol
Neuropeptide Y5 receptor ligand-1
Neuropeptide Y5 receptor ligand-1 (compound 54), a carbazole derivative, is a potent neuropeptide Y5 (NPY-5) receptor antagonist[1].
Ro 67-7476
C17H18FNO2S (319.10422200000005)
Ro 67-7476 is a potent positive allosteric modulator of mGluR1 and potentiates glutamate-induced calcium release in HEK293 cells expressing rat mGluR1a with an EC50 of 60.1 nM[1][2]. Ro 67-7476 is a potent P-ERK1/2 agonist?and activates ERK1/2 phosphorylation in the absence of exogenously added glutamate (EC50=163.3 nM)[3].