Exact Mass: 361.10962140000004

Exact Mass Matches: 361.10962140000004

Found 325 metabolites which its exact mass value is equals to given mass value 361.10962140000004, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Ofloxacin

7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.0⁵,¹³]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

C18H20FN3O4 (361.14377720000005)

Ofloxacin is only found in individuals that have used or taken this drug. It is a synthetic fluoroquinolone (fluoroquinolones) antibacterial agent that inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication. [PubChem]Ofloxacin acts on DNA gyrase and toposiomerase IV, enzymes which, like human topoisomerase, prevents the excessive supercoiling of DNA during replication or transcription. By inhibiting their function, the drug thereby inhibits normal cell division. 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 S - Sensory organs > S02 - Otologicals > S02A - Antiinfectives > S02AA - Antiinfectives C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 3073 CONFIDENCE standard compound; INTERNAL_ID 4075 CONFIDENCE standard compound; INTERNAL_ID 1033

Fenoxaprop-ethyl

ethyl 2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate

C18H16ClNO5 (361.07169560000006)

D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

3-Acetylnerbowdine

Nerbowdin, 3-acetyl

C19H23NO6 (361.1525298)

1-Epideacetylbowdensine

C19H23NO6 (361.1525298)

Pyriminobac-methyl

methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(N-methoxy-C-methylcarbonimidoyl)benzoate

C17H19N3O6 (361.1273794)

Pyriminobac-methyl is a herbicide used on rice. Herbicide used on rice

Levofloxacin

(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{5,13}]trideca-5(13),6,8,11-tetraene-11-carboxylic acid

C18H20FN3O4 (361.14377720000005)

Levofloxacin is a synthetic fluoroquinolone antibacterial agent that inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication. Levofloxacin is marketed by Ortho-McNeil under the trade name Levaquin. Chemically, levofloxacin is the S-enantiomer (L-isomer) of ofloxacin. -- Wikipedia [HMDB] Levofloxacin is a synthetic fluoroquinolone antibacterial agent that inhibits the supercoiling activity of bacterial DNA gyrase, halting DNA replication. Levofloxacin is marketed by Ortho-McNeil under the trade name Levaquin. Chemically, levofloxacin is the S-enantiomer (L-isomer) of ofloxacin. -- Wikipedia. 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 COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

Pyribencarb

C18H20ClN3O3 (361.11931200000004)

bisacodyl

C22H19NO4 (361.1314014000001)

A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AB - Contact laxatives A - Alimentary tract and metabolism > A06 - Drugs for constipation > A06A - Drugs for constipation > A06AG - Enemas C78276 - Agent Affecting Digestive System or Metabolism > C29697 - Laxative D005765 - Gastrointestinal Agents > D002400 - Cathartics D005765 - Gastrointestinal Agents > D054368 - Laxatives Bisacodyl is a stimulant laxative agent that works directly on the colon to produce a bowel movement. Bisacodyl increases the secretion of PGE2 by direct activation of colon macrophages. PGE2 acts as a paracrine factor and decreases the expression of AQP3 in the colon, which inhibits water transfer from the luminal to the vascular side and leads to a laxative effect[1].

5-Hydroxyomeprazole

(4-methoxy-6-{[(6-methoxy-1H-1,3-benzodiazol-2-yl)sulfinyl]methyl}-5-methylpyridin-3-yl)methanol

C17H19N3O4S (361.10962140000004)

5-Hydroxyomeprazole is only found in individuals that have used or taken Omeprazole. 5-Hydroxyomeprazole is a metabolite of Omeprazole. 5-hydroxyomeprazole belongs to the family of Sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.

Omeprazole sulfone

6-Methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulphonyl]-1H-1,3-benzodiazole

C17H19N3O4S (361.10962140000004)

Omeprazole sulfone is only found in individuals that have used or taken Omeprazole. Omeprazole sulfone is a metabolite of Omeprazole. Omeprazole sulfone belongs to the family of Sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.

Bezafibrate

2-(4-{2-[(4-chlorophenyl)formamido]ethyl}phenoxy)-2-methylpropanoic acid

C19H20ClNO4 (361.1080790000001)

Bezafibrate is only found in individuals that have used or taken this drug. It is an antilipemic agent that lowers cholesterol and triglycerides. It decreases low density lipoproteins and increases high density lipoproteins. [PubChem]Like the other fibrates, bezafibrate is an agonist of PPARα; some studies suggest it may have some activity on PPARγ and PPARδ as well. C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AB - Fibrates D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites Bezafibrate is an agonist of PPAR, with EC50s of 50 μM, 60 μM, 20 μM for human PPARα, PPARγ and PPARδ, and 90 μM, 55 μM, 110 μM for murine PPARα, PPARγ and PPARδ, respectively; Bezafibrate is used as an hypolipidemic agent.

De-O-methylsimmondsin

2-[(1E)-2,4-dihydroxy-3-methoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexylidene]acetonitrile

C15H23NO9 (361.1372748)

De-O-methylsimmondsin is found in coffee and coffee products. De-O-methylsimmondsin is a constituent of jojoba meal. Constituent of jojoba meal. Demethylsimmondsin is found in coffee and coffee products, fats and oils, and nuts.

3-Hydroxyomeprazole

(4-Methoxy-2-{[(6-methoxy-1H-1,3-benzodiazol-2-yl)sulphinyl]methyl}-5-methylpyridin-3-yl)methanol

C17H19N3O4S (361.10962140000004)

3-Hydroxyomeprazole is only found in individuals that have used or taken Omeprazole. 3-Hydroxyomeprazole is a metabolite of Omeprazole. 3-hydroxyomeprazole belongs to the family of Sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.

Avenanthramide A2

(2E)-N-[2-(Dihydroxymethyl)-4-hydroxy-5-methoxyphenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enimidate

C18H19NO7 (361.1161464)

Avenanthramide A2 is a polyphenol compound found in foods of plant origin (PMID: 20428313)

Aminomethyl fluorescein

8-(aminomethyl)-3,6-dihydroxy-3H-spiro[2-benzofuran-1,9-xanthene]-3-one

C21H15NO5 (361.09501800000004)

Benoxathian

[(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl][2-(2,6-dimethoxyphenoxy)ethyl]amine

C19H23NO4S (361.13477180000007)

D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents

Bisacodyl

4-{[4-(acetyloxy)phenyl](pyridin-2-yl)methyl}phenyl acetic acid

C22H19NO4 (361.1314014000001)

Fostedil

Diethyl {[4-(1,3-benzothiazol-2-yl)phenyl]methyl}phosphonic acid

C18H20NO3PS (361.09014600000006)

metampicillin

6-{[1-hydroxy-2-(methylideneamino)-2-phenylethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

C17H19N3O4S (361.10962140000004)

Nitroflurbiprofen

4-(Nitrooxy)butyl 2-fluoro-alpha-methyl-(1,1-biphenyl)-4-acetic acid

C19H20FNO5 (361.13254420000004)

C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor

Ptemc

3-(2-(Phenylthio)ethyl)-5-methoxycarbonyl-4-methyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate

C19H23NO4S (361.13477180000007)

5-Methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazol-4-ol

6-Methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulphinyl]-1H-1,3-benzodiazol-7-ol

C17H19N3O4S (361.10962140000004)

SPARSOMYCIN

N-[1-hydroxy-3-(methylsulfanyl)methanesulfinylpropan-2-yl]-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)prop-2-enamide

C13H19N3O5S2 (361.0766084)

Pyriminobac-methyl, (Z)-

Methyl 2-[(4,6-dimethoxypyrimidin-2-yl)oxy]-6-[1-(methoxyimino)ethyl]benzoic acid

C17H19N3O6 (361.1273794)

N-(4-(4-Amino-2-ethyl-imidazo(4,5-c)quinolin-1-yl)butyl)methanesulfonamide

N-(4-(4-amino-2-Ethyl-1H-imidazo(4,5-c)quinolin-1-yl)butyl)methanesulfonamide

C17H23N5O2S (361.1572378)

C308 - Immunotherapeutic Agent > C2139 - Immunostimulant > C177174 - Toll-like Receptor Agonist

1-[(4-Aminophenyl)methyl]-3-(3-nitrophenyl)imidazo[4,5-b]pyridin-2-one

1-[(4-aminophenyl)methyl]-3-(3-nitrophenyl)-1H,2H,3H-imidazo[4,5-b]pyridin-2-one

C19H15N5O3 (361.117484)

Levofloxacin

C18H20FN3O4 (361.14377720000005)

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 COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 3239 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

Dihydroarcyriarubin C

trans-Dihydroarcyriarubin C

C20H15N3O4 (361.10625100000004)

Hyrtiazepine

C20H15N3O4 (361.10625100000004)

Methylnkolbisine

(-)-Methylnkolbisine

C19H23NO6 (361.1525298)

Orisuaveoline B

C20H15N3O4 (361.10625100000004)

Methylevoxine

C19H23NO6 (361.1525298)

Origin: Plant; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids

ofloxacin

C18H20FN3O4 (361.14377720000005)

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 S - Sensory organs > S02 - Otologicals > S02A - Antiinfectives > S02AA - Antiinfectives C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CASMI2013 Challenge_16 MS2 data, retention time = 3.7 min CASMI2013 Challenge_16 MS1 data, retention time = 3.7 min

SAR102608

C20H16FN5O (361.1338818)

CONFIDENCE standard compound; INTERNAL_ID 1359; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4212; ORIGINAL_PRECURSOR_SCAN_NO 4209 CONFIDENCE standard compound; INTERNAL_ID 1359; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4285; ORIGINAL_PRECURSOR_SCAN_NO 4280 CONFIDENCE standard compound; INTERNAL_ID 1359; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4295; ORIGINAL_PRECURSOR_SCAN_NO 4294 CONFIDENCE standard compound; INTERNAL_ID 1359; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4294; ORIGINAL_PRECURSOR_SCAN_NO 4293 CONFIDENCE standard compound; INTERNAL_ID 1359; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4304; ORIGINAL_PRECURSOR_SCAN_NO 4303 CONFIDENCE standard compound; INTERNAL_ID 1359; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4291; ORIGINAL_PRECURSOR_SCAN_NO 4288 CONFIDENCE standard compound; INTERNAL_ID 1359; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8805; ORIGINAL_PRECURSOR_SCAN_NO 8804 CONFIDENCE standard compound; INTERNAL_ID 1359; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8813; ORIGINAL_PRECURSOR_SCAN_NO 8811 CONFIDENCE standard compound; INTERNAL_ID 1359; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8820; ORIGINAL_PRECURSOR_SCAN_NO 8818 CONFIDENCE standard compound; INTERNAL_ID 1359; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8838; ORIGINAL_PRECURSOR_SCAN_NO 8833 CONFIDENCE standard compound; INTERNAL_ID 1359; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8848; ORIGINAL_PRECURSOR_SCAN_NO 8844 CONFIDENCE standard compound; INTERNAL_ID 1359; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8849; ORIGINAL_PRECURSOR_SCAN_NO 8848

MCULE-9688757943

C18H18F3N5 (361.1514224)

Maybridge4_004692

C15H9F6N3O (361.0649776)

ZINC4332753

C16H15N3O5S (361.073238)

4-Amino-2-{[5-(2-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-5-pyrimidinecarbonitrile

C17H11N7OS (361.0745756)

Bio6A9

C18H19NO3S2 (361.08063039999996)

Maybridge4_004058

C19H15N5OS (361.09972600000003)

ZINC03983187

C19H15N5OS (361.09972600000003)

N-(1,3-benzodioxol-5-ylmethyl)-6-phenylthieno[3,2-d]pyrimidin-4-amine

C20H15N3O2S (361.088493)

methyl 2-((2-phenylimidazo[1,2-a]pyrimidin-3-yl)thio)benzoate

C20H15N3O2S (361.088493)

Tryptophan, N-indol-3-ylacetyl- (6CI)

C21H19N3O3 (361.1426344)

Oprea1_480170

C17H19N3O6 (361.1273794)

TCMDC-125009

C18H23N3O3S (361.1460048)

Guanosine 5-monophosphate

C11H16N5O7P (361.0787316)

2-acetoxy-1-methoxy-[1,3]dioxolo[4,5:4,5]benzo[1,2-c]phenanthridine|decarine acetate|O-acetyl-decarine|O-Acetyldecarin

C21H15NO5 (361.09501800000004)

Lyalidine

C21H19N3O3 (361.1426344)

N6-methyl-[3]adenylic acid|N6-Methyl-[3]adenylsaeure|N6-Methyladenosin-3-phosphat|N6-Methyladenylsaeure

C11H16N5O7P (361.0787316)

sarcomejine B

C18H19NO7 (361.1161464)

Euxylophorine

C21H19N3O3 (361.1426344)

Puberuline D

C18H19NO7 (361.1161464)

Polycarpamine A

C15H23NO3S3 (361.0840008)

1-O-acetylbulbisine

C19H23NO6 (361.1525298)

6-(3-(1H-pyrrole-2-carbonyloxy)-2-hydroxypropoxy)-3,4,5-trihydroxy-tetrahydro-2H-pyrane-2-carboxylic acid

C14H19NO10 (361.1008914)

6-O-methylkrigeine

C19H23NO6 (361.1525298)

Antrocinnamomin H

C19H23NO6 (361.1525298)

2-(1-carboxyethyl)-5-hydroxy-7-phenyl-2H-benzo[de]isoquinoline-1,6-dione

C21H15NO5 (361.09501800000004)

2-Butyl-5-hydroxy-7-(4-hydroxyphenyl)-6H-benzo[de]isoquinoline-1,6(2H)-dione

C22H19NO4 (361.1314014000001)

Me glycoside,N,2,4,6-tetra-Ac-alpha-D-Pyranose-3-Amino-3-deoxyglucose|Me glycoside,N,2,4,6-tetra-Ac-beta-D-Pyranose-3-Amino-3-deoxyglucose

C15H23NO9 (361.1372748)

3-deoxy-D-manno-2-octulopyranosonate 7-(2-aminoethyl phosphate)

C10H20NO11P (361.077394)

3-[bis(1H-indol-3-yl)methyl]-1H-indole

C25H19N3 (361.15788940000004)

Glyfoline

C18H19NO7 (361.1161464)

N6-Methyl-2adenylsaeure|N6-methyl-[2]adenylic acid|N6-Methyl-[2]adenylsaeure

C11H16N5O7P (361.0787316)

2-Dimethylamino-4-oxo-6-(L-threo-1,2,3-trihydroxypropyl)-3,4-dihydropteridin-3-monophosphat

C11H16N5O7P (361.0787316)

7-Carbomethoxy-Evodiamine

C21H19N3O3 (361.1426344)

Asp Ile Asp

C14H23N3O8 (361.1485078)

Val Glu Asp

C14H23N3O8 (361.1485078)

Glu Val Asp

C14H23N3O8 (361.1485078)

Ile Asp Asp

C14H23N3O8 (361.1485078)

Pro Met Asp

C14H23N3O6S (361.1307498)

Asp Pro Met

C14H23N3O6S (361.1307498)

Asp Val Glu

C14H23N3O8 (361.1485078)

Met Pro Asp

C14H23N3O6S (361.1307498)

Glu Asp Val

C14H23N3O8 (361.1485078)

Asp Glu Val

C14H23N3O8 (361.1485078)

Asp Asp Ile

C14H23N3O8 (361.1485078)

Micinovo; Pravacilin; Rastomycin K; Ruticina

C17H19N3O4S (361.10962140000004)

bezafibrate

2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methyl-propanoic acid

C19H20ClNO4 (361.1080790000001)

C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AB - Fibrates D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4657; ORIGINAL_PRECURSOR_SCAN_NO 4655 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4682; ORIGINAL_PRECURSOR_SCAN_NO 4681 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4636; ORIGINAL_PRECURSOR_SCAN_NO 4635 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4660; ORIGINAL_PRECURSOR_SCAN_NO 4659 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4651; ORIGINAL_PRECURSOR_SCAN_NO 4650 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8993; ORIGINAL_PRECURSOR_SCAN_NO 8991 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9030; ORIGINAL_PRECURSOR_SCAN_NO 9028 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9048; ORIGINAL_PRECURSOR_SCAN_NO 9046 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9079; ORIGINAL_PRECURSOR_SCAN_NO 9078 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9087; ORIGINAL_PRECURSOR_SCAN_NO 9085 CONFIDENCE standard compound; INTERNAL_ID 559; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9094; ORIGINAL_PRECURSOR_SCAN_NO 9093 CONFIDENCE standard compound; INTERNAL_ID 2341 CONFIDENCE standard compound; INTERNAL_ID 8548 CONFIDENCE standard compound; INTERNAL_ID 4069 CONFIDENCE standard compound; EAWAG_UCHEM_ID 209 Bezafibrate is an agonist of PPAR, with EC50s of 50 μM, 60 μM, 20 μM for human PPARα, PPARγ and PPARδ, and 90 μM, 55 μM, 110 μM for murine PPARα, PPARγ and PPARδ, respectively; Bezafibrate is used as an hypolipidemic agent.

Indole-3-acetyl-L-tryptophan

C21H19N3O3 (361.1426344)

Annotation level-1

N4-Anisoyl-2-deoxycytidine

C17H19N3O6 (361.1273794)

relative retention time with respect to 9-anthracene Carboxylic Acid is 0.797 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.800 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.794

Varenicline Tartrate

C17H19N3O6 (361.1273794)

D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists D000077444 - Smoking Cessation Agents Varenicline (CP 526555) is an orally active partial agonist of α4β2 nicotinic acetylcholine receptor (α4β2 nAChR, IC50 = 250 nM), which is the principal mediator of nicotine dependence. Varenicline is also a partial agonist of α6β2 nAChR and a full agonist of α6β2 nAChR. Varenicline blocks the direct agonist effects of nicotine on nAChR while stimulates nAChR in a more moderate way, being widely used as an aid of smoking cessation[1][2][3][4][5]. Varenicline (CP 526555) is an orally active partial agonist of α4β2 nicotinic acetylcholine receptor (α4β2 nAChR, IC50 = 250 nM), which is the principal mediator of nicotine dependence. Varenicline is also a partial agonist of α6β2 nAChR and a full agonist of α6β2 nAChR. Varenicline blocks the direct agonist effects of nicotine on nAChR while stimulates nAChR in a more moderate way, being widely used as an aid of smoking cessation[1][2][3][4][5].

Ofloxacin (Floxin)

C18H20FN3O4 (361.14377720000005)

Levofloxacin

Levofloxacin (Levaquin)

C18H20FN3O4 (361.14377720000005)

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 COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

fenoxaprop-P-ethyl

C18H16ClNO5 (361.07169560000006)

MMV687798

C18H20N3O4F (361.14377720000005)

MMV020289

C18H23N3O3S (361.1460048)

5-HYDROXYOMEPRAZOLE

5-HYDROXY OMEPRAZOLE

C17H19N3O4S (361.10962140000004)

Chloroaustralasine A

C20H24ClNO3 (361.14446240000007)

Isochloroaustralasine A

C20H24ClNO3 (361.14446240000007)

Anabasamine

C16H22Cl3N3 (361.08792220000004)

Origin: Plant; SubCategory_DNP: Alkaloids derived from lysine, Quinolizidine alkaloids

7-(4-acetylpiperazin-1-yl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

C18H20FN3O4 (361.14377720000005)

Omeprazole sulfone

C17H19N3O4S (361.10962140000004)

Asn Asp Asn

C12H19N5O8 (361.1233574)

Cys His Cys

C12H19N5O4S2 (361.0878414)

Met Pro Asp

C14H23N3O6S1 (361.1307498)

Leu Asp Asp

C14H23N3O8 (361.1485078)

Asn Asn Asp

C12H19N5O8 (361.1233574)

Pro Met Asp

C14H23N3O6S1 (361.1307498)

His Cys Cys

C12H19N5O4S2 (361.0878414)

Asn Asp Gly Gly

(3S)-3-[(2S)-2-amino-3-carbamoylpropanamido]-3-({[(carboxymethyl)carbamoyl]methyl}carbamoyl)propanoic acid

C12H19N5O8 (361.1233574)

Asn Gly Asp Gly

(3S)-3-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetamido}-3-[(carboxymethyl)carbamoyl]propanoic acid

C12H19N5O8 (361.1233574)

Asn Gly Gly Asp

J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum A penicillin compound having a 6beta-(2R)-2-(methylideneamino)-2-phenylacetamido side-group. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

Chelirubine

C21H15NO5 (361.09501800000004)

3-Hydroxyomeprazole

{4-methoxy-2-[(6-methoxy-1H-1,3-benzodiazole-2-sulfinyl)methyl]-5-methylpyridin-3-yl}methanol

C17H19N3O4S (361.10962140000004)

Avenanthramide A2

(2E)-N-[2-(dihydroxymethyl)-4-hydroxy-5-methoxyphenyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide

C18H19NO7 (361.1161464)

De-O-methylsimmondsin

(1-CBZ-PIPERIDIN-4-YL-AZETIDIN-3-YL)-AMINE-2HCl

C16H25Cl2N3O2 (361.13237300000003)

rel-(1R,3S,5S)-8-Methyl-8-azabicyclo[3,2,1]oct-6-en-yl-2-hydroxy-2,2-dithiophen-2-yl acetate

C18H19NO3S2 (361.08063039999996)

4-((3-chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl acetate

C17H13ClFN3O3 (361.062943)

N4-Bz-2-OMe-rC

C17H19N3O6 (361.1273794)

N4-Benzoyl-2’-O-methylcytidine is a cytidine analog. Cytidine analogs have a mechanism of inhibiting DNA methyltransferases (such as Zebularine, HY-13420), and have potential anti-metabolic and anti-tumor activities[1].

1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxospiro[3H-chromene-2,4-piperidine]-6-carboxylic acid

C19H23NO6 (361.1525298)

4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl acetate

C17H13ClFN3O3 (361.062943)

Clemizole hydrochloride

C19H21Cl2N3 (361.1112446)

C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Clemizole hydrochloride is an H1 histamine receptor antagonist, is found to substantially inhibit HCV replication. Clemizole hydrochloride is an inhibitor of TRPC5 channel. The IC50 of Clemizole hydrochloride for RNA binding by NS4B is 24 nM, whereas its EC50 for viral replication is 8 μM.

(S)-4-(1-HYDROXY-2-(ISOPROPYLAMINO)ETHYL)BENZENE-1,2-DIOL (2R,3R)-2,3-DIHYDROXYSUCCINATE

C15H23NO9 (361.1372748)

1-CYCLOPROPYL-6-FLUORO-8-METHOXY-4-OXO-7-(PIPERAZIN-1-YL)-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID

C18H20FN3O4 (361.14377720000005)

UNII:H3W21KSG6H

C17H19N3O4S (361.10962140000004)

(S)-ALLYL 2-AMINO-4-(METHYLTHIO)BUTANOATE 4-METHYLBENZENESULFONATE

C15H23NO5S2 (361.10175879999997)

5-(AMINOMETHYL)-3,6-DIHYDROXY-3H-SPIRO[ISOBENZOFURAN-1,9-XANTHEN]-3-ONE HYDROCHLORIDE

C21H15NO5 (361.09501800000004)

ethyl 2,3-dihydro-2-(3-hydroxy-2-quinolyl)-1,3-dioxo-1H-indene-5-carboxylate

C21H15NO5 (361.09501800000004)

3-PHENYL-6-(3,4,5-TRIMETHOXY-PHENYL)-PYRAZOLO[1,5-A]PYRIMIDINE

C21H19N3O3 (361.1426344)

[4-[cyclopropyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]boronic acid

C17H20BNO5S (361.11551800000007)

3-[Cyclopropyl(4-methoxybenzyl)sulfamoyl]benzeneboronic acid

C17H20BNO5S (361.11551800000007)

Butocrolol

C19H23NO6 (361.1525298)

1-(4-Methylamino-2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-ethanone diHCl

C15H25Cl2N5O (361.14360600000003)

Sparsomysin

SPARSOMYCIN

C13H19N3O5S2 (361.0766084)

C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000970 - Antineoplastic Agents

4,4-diphenylbutan-2-yl-ethyl-dimethylazanium,bromide

C20H28BrN (361.14049880000005)

[5-[7-(3-Chloropropoxy)quinazolin-4-ylamino]pyrazol-3-yl]acetic acid

C16H16ClN5O3 (361.0941616)

6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinolin-4-one

C18H19NO5S (361.09838840000003)

(-)-Isoproterenol tartrate

C15H23NO9 (361.1372748)

Methanone, [4-(5-chloro-2-methylphenyl)-1-piperazinyl][3-methyl-5-(1-methylethyl)-4-isoxazolyl]

C19H24ClN3O2 (361.1556954)

2H-Pyrrol-2-one, 4-acetyl-1-(4-chloro-3-ethylphenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-

C20H24ClNO3 (361.14446240000007)

N-BOC-N,N-BIS{2-[(METHANESULFONYL)OXY]ETHYL}AMINE

C11H23NO8S2 (361.0865038)

BULBOCAPNINE HYDROCHLORIDE

C19H20ClNO4 (361.1080790000001)

6-[2-(Dimethoxymethyl)-4-(6-methyl-2-pyridinyl)-1H-imidazol-5-yl] quinoxaline

C20H19N5O2 (361.1538674)

[4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] acetate

C19H17F2NO4 (361.11255860000006)

2-(4-FORMYL-2-METHOXYPHENOXY)ACETIC ACID, N-(2-BIPHENYLYL)AMIDE

C22H19NO4 (361.1314014000001)

Chlorodipiperidinocarbenium Hexafluorophosphate

C11H21ClF6N2P (361.1034998)

2-ETHOXY-5-[(4-METHYL-PIPERAZINE-1-CARBONYL)-AMINO]-BENZENESULFONYL CHLORIDE

C14H20ClN3O4S (361.08629900000005)

FENOXAPROP-ETHYL

C18H16ClNO5 (361.07169560000006)

D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

ethyl 2-(2-(2-(4-chlorophenoxy)phenyl)-N-Methylacetamido)acetate

C19H20ClNO4 (361.1080790000001)

1-(3-Fluorophenyl)-6-methyl-3-(2-quinolinylmethoxy)-4(1H)-pyridazinone

C21H16FN3O2 (361.1226488)

Levofloxacin Ethyl Ester

C18H20FN3O4 (361.14377720000005)

(±)-(isopropyl)(beta,3,4-trihydroxyphenethyl)ammonium [R-(R,R)]-hydrogen tartrate

(±)-(isopropyl)(beta,3,4-trihydroxyphenethyl)ammonium [R-(R*,R*)]-hydrogen tartrate

C11H17NO3.C4H6O6 (361.1372748)

Disperse Red 146

C21H15NO5 (361.09501800000004)

ETHYL (2S)-(+)-2-(4-(6-CHLOROBENZOXAZOL&

C18H16ClNO5 (361.07169560000006)

tert-butyl 4-[4-(trifluoromethoxy)phenoxy]piperidine-1-carboxylate

C17H22F3NO4 (361.15008480000006)

Methyl 2-(2-(benzyloxycarbonylamino)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate

C17H19N3O6 (361.1273794)

Methyl 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-[(1E)-N-methoxyetha nimidoyl]benzoate

C17H19N3O6 (361.1273794)

4-Chloro-2,5-bis(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile

C17H22B2ClNO4 (361.14233820000004)

TRANS-3 5-BENZYLOXY-TRANS-B-NITROSTYREN&

C22H19NO4 (361.1314014000001)

1-(4-Fluorophenyl)-6-methyl-3-(2-quinolinylmethoxy)-4(1H)-pyridazinone

C21H16FN3O2 (361.1226488)

2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione

C18H11N5O2S (361.0633426)

A-TOSYL-(3,4,5-TRIMETHOXYLBENZYL)ISOCYANIDE

C18H19NO5S (361.09838840000003)

Polmacoxib

C18H16FNO4S (361.07840280000005)

M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AH - Coxibs C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C80509 - COX-2 Inhibitor C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor

Zimlovisertib

An azaphilone that is the ester obtained by formal condensation of the carboxy group of 2,4-dimethylhexanoic acid with the tertiary hydroxy group of 7-hydroxy-7-methyl-6,8-dioxo-2,6,7,8-tetrahydroisoquinoline-3-carboxylic acid.