Exact Mass: 361.1386124
Exact Mass Matches: 361.1386124
Found 490 metabolites which its exact mass value is equals to given mass value 361.1386124,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ofloxacin
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
Pyriminobac-methyl
Pyriminobac-methyl is a herbicide used on rice. Herbicide used on rice
Levofloxacin
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
Methyloctatropine bromide
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists
Ethacridine lactate Monohydrate
C18H23N3O5 (361.16376280000003)
D000890 - Anti-Infective Agents
bisacodyl
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
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
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
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
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
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
Avenanthramide A2 is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Aminomethyl fluorescein
C21H15NO5 (361.09501800000004)
Benoxathian
C19H23NO4S (361.13477180000007)
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
Bisacodyl
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].
Fostedil
C18H20NO3PS (361.09014600000006)
metampicillin
C17H19N3O4S (361.10962140000004)
Nitroflurbiprofen
C19H20FNO5 (361.13254420000004)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor
Ptemc
C19H23NO4S (361.13477180000007)
rac S 33138
5-Methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-benzimidazol-4-ol
C17H19N3O4S (361.10962140000004)
Pyriminobac-methyl, (Z)-
N-(4-(4-Amino-2-ethyl-imidazo(4,5-c)quinolin-1-yl)butyl)methanesulfonamide
C308 - Immunotherapeutic Agent > C2139 - Immunostimulant > C177174 - Toll-like Receptor Agonist
1-[(4-Aminophenyl)methyl]-3-(3-nitrophenyl)imidazo[4,5-b]pyridin-2-one
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
Methylevoxine
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
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
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)
6-(3-(1H-pyrrole-2-carbonyloxy)-2-hydroxypropoxy)-3,4,5-trihydroxy-tetrahydro-2H-pyrane-2-carboxylic acid
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
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
Micinovo; Pravacilin; Rastomycin K; Ruticina
C17H19N3O4S (361.10962140000004)
bezafibrate
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.
N4-Anisoyl-2-deoxycytidine
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
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].
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 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Ala Ala Asn Ser
Ala Ala Ser Asn
Ala Gly Asn Thr
Ala Gly Gln Ser
Ala Gly Ser Gln
Ala Gly Thr Asn
Ala Asn Ala Ser
Ala Asn Gly Thr
Ala Asn Ser Ala
Ala Asn Thr Gly
Ala Gln Gly Ser
Ala Gln Ser Gly
Ala Ser Ala Asn
Ala Ser Gly Gln
Ala Ser Asn Ala
Ala Ser Gln Gly
Ala Thr Gly Asn
Ala Thr Asn Gly
Asp Gly Gly Asn
Asp Gly Asn Gly
Asp Asn Gly Gly
Gly Ala Asn Thr
Gly Ala Gln Ser
Gly Ala Ser Gln
Gly Ala Thr Asn
Gly Asp Gly Asn
Gly Asp Asn Gly
Gly Gly Asp Asn
Gly Gly Asn Asp
Gly Gly Gln Thr
Gly Gly Thr Gln
Gly Asn Ala Thr
Gly Asn Asp Gly
Gly Asn Gly Asp
Gly Asn Thr Ala
Gly Gln Ala Ser
Gly Gln Gly Thr
Gly Gln Ser Ala
Gly Gln Thr Gly
Gly Ser Ala Gln
Gly Ser Gln Ala
Gly Thr Ala Asn
Gly Thr Gly Gln
Gly Thr Asn Ala
Gly Thr Gln Gly
N-Acetylnorfloxacin
C18H20FN3O4 (361.14377720000005)
Asn Ala Ala Ser
Asn Ala Gly Thr
Asn Ala Ser Ala
Asn Ala Thr Gly
Asn Asp Gly Gly
Asn Gly Ala Thr
Asn Gly Asp Gly
Asn Gly Gly Asp
Asn Gly Thr Ala
Asn Ser Ala Ala
Asn Thr Ala Gly
Asn Thr Gly Ala
Gln Ala Gly Ser
Gln Ala Ser Gly
Gln Gly Ala Ser
Gln Gly Gly Thr
Gln Gly Ser Ala
Gln Gly Thr Gly
Gln Ser Ala Gly
Gln Ser Gly Ala
Gln Thr Gly Gly
Ser Ala Ala Asn
Ser Ala Gly Gln
Ser Ala Asn Ala
Ser Ala Gln Gly
Ser Gly Ala Gln
Ser Gly Gln Ala
Ser Asn Ala Ala
Ser Gln Ala Gly
Ser Gln Gly Ala
Thr Ala Gly Asn
Thr Ala Asn Gly
Thr Gly Ala Asn
Thr Gly Gly Gln
Thr Gly Asn Ala
Thr Gly Gln Gly
Thr Asn Ala Gly
Thr Asn Gly Ala
Thr Gln Gly Gly
metampicillin
C17H19N3O4S (361.10962140000004)
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
3-Hydroxyomeprazole
C17H19N3O4S (361.10962140000004)
Avenanthramide A2
De-O-methylsimmondsin
Fostedil
C18H20NO3PS (361.09014600000006)
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
1-cyclopropyl-6-fluoro-8-hydroxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
C18H20FN3O4 (361.14377720000005)
(2E)-2-[3-chloro-6-(4-methylpiperazin-1-yl)dibenzo[1,2-[7]annulen-11-ylidene]acetonitrile
C22H20ClN3 (361.13456700000006)
Fmoc-(S)-2-Amino-4,4-difluorobutyric acid
C19H17F2NO4 (361.11255860000006)
Urea, N-[(2-chloro-6-methoxy-3-quinolinyl)methyl]-N-cyclopentyl-N,N-dimethyl- (9CI)
benzyl 3-(3-aminoazetidin-1-yl)piperidine-1-carboxylate,dihydrochloride
C16H25Cl2N3O2 (361.13237300000003)
3-(3-AMINOMETHYL-AZETIDIN-1-YL)-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER-2HCl
C16H25Cl2N3O2 (361.13237300000003)
(1-CBZ-PIPERIDIN-4-YL-AZETIDIN-3-YL)-AMINE-2HCl
C16H25Cl2N3O2 (361.13237300000003)
N4-Bz-2-OMe-rC
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].
bis((r)-(-)-1-(1-naphthyl)ethyl)amine
C24H24ClN (361.15971740000003)
bis((s)-(+)-1-(1-naphthyl)ethyl)amine
C24H24ClN (361.15971740000003)
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxospiro[3H-chromene-2,4-piperidine]-6-carboxylic acid
Clemizole hydrochloride
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
1-CYCLOPROPYL-6-FLUORO-8-METHOXY-4-OXO-7-(PIPERAZIN-1-YL)-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID
C18H20FN3O4 (361.14377720000005)
3-(3-imidazo[1,2-b]pyridazin-2-ylphenyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
(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)
3,3-diphenyl-N-(3-phenylsulfanylpropyl)propan-1-amine
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
[4-[cyclopropyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]boronic acid
C17H20BNO5S (361.11551800000007)
3-[Cyclopropyl(4-methoxybenzyl)sulfamoyl]benzeneboronic acid
C17H20BNO5S (361.11551800000007)
N-([1,1-biphenyl]-4-yl)-9,9-dimethyl-9H-fluoren-2-amine
1-(4-Methylamino-2-piperidin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-ethanone diHCl
C15H25Cl2N5O (361.14360600000003)
4,4-diphenylbutan-2-yl-ethyl-dimethylazanium,bromide
C20H28BrN (361.14049880000005)
[5-[7-(3-Chloropropoxy)quinazolin-4-ylamino]pyrazol-3-yl]acetic acid
6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoquinolin-4-one
C18H19NO5S (361.09838840000003)
2-[[4-[bis(2-hydroxyethyl)amino]phenyl]amino]-5-[(2-hydroxyethyl)amino]cyclohexa-2,5-diene-1,4-dione
C18H23N3O5 (361.16376280000003)
Methanone, [4-(5-chloro-2-methylphenyl)-1-piperazinyl][3-methyl-5-(1-methylethyl)-4-isoxazolyl]
2H-Pyrrol-2-one, 4-acetyl-1-(4-chloro-3-ethylphenyl)-5-cyclohexyl-1,5-dihydro-3-hydroxy-
C20H24ClNO3 (361.14446240000007)
N-[1,1-Biphenyl]-4-yl-9,9-dimethyl-9H-fluoren-3-amine
N-[1,1-Biphenyl]-2-yl-9,9-dimethyl-9H-fluoren-2-amine
6-[2-(Dimethoxymethyl)-4-(6-methyl-2-pyridinyl)-1H-imidazol-5-yl] quinoxaline
[4-(2,4-difluorophenyl)-2-(morpholine-4-carbonyl)phenyl] acetate
C19H17F2NO4 (361.11255860000006)
2-(diethylamino)ethyl 2,2-diphenylpropanoate,hydrochloride
C21H28ClNO2 (361.18084580000004)
2-(4-FORMYL-2-METHOXYPHENOXY)ACETIC ACID, N-(2-BIPHENYLYL)AMIDE
4-((4-(DIETHYLAMINO)PHENYL)IMINO)-N-METHYL-1-OXO-1,4-DIHYDRONAPHTHALENE-2-CARBOXAMIDE
ethyl 2-(2-(2-(4-chlorophenoxy)phenyl)-N-Methylacetamido)acetate
C19H20ClNO4 (361.1080790000001)
1-(3-Fluorophenyl)-6-methyl-3-(2-quinolinylmethoxy)-4(1H)-pyridazinone
(±)-(isopropyl)(beta,3,4-trihydroxyphenethyl)ammonium [R-(R*,R*)]-hydrogen tartrate
C11H17NO3.C4H6O6 (361.1372748)
5,7-dihydro-7,7-diMethyl-5-phenyl-indeno[2,1-b]carbazole
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
Methyl 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-[(1E)-N-methoxyetha nimidoyl]benzoate
4-Chloro-2,5-bis(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
C17H22B2ClNO4 (361.14233820000004)
1-(4-Fluorophenyl)-6-methyl-3-(2-quinolinylmethoxy)-4(1H)-pyridazinone
A-TOSYL-(3,4,5-TRIMETHOXYLBENZYL)ISOCYANIDE
C18H19NO5S (361.09838840000003)
N-(Triphenylmethyl)-DL-serine Methyl Ester
C23H23NO3 (361.16778480000005)
Zimlovisertib
C18H20FN3O4 (361.14377720000005)
C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent > C184956 - IRAK4 Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C274 - Antineoplastic Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Bradanicline
C78272 - Agent Affecting Nervous System Bradanicline is a highly selective α7 nicotinic acetylcholine receptor (nAChR) agonist (humanα7 nAChR: EC50=17 nM; Ki= 1.4 nM). Bradanicline is used for the research of cognitive disorders[1][2].
1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-(thiophen-3-yl)propan-2-yl]urea
PZM21 is a potent and selective μ opioid receptor agonist with an EC50 of 1.8 nM[1][2][3].
Veliflapon
C23H23NO3 (361.16778480000005)
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics C78274 - Agent Affecting Cardiovascular System D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Etafenone hydrochloride
C21H28ClNO2 (361.18084580000004)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
4-[[5-Ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-4-oxobutanoic acid
C18H19NO5S (361.09838840000003)
4-[3-Methyl-5-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoic acid methyl ester
N-[(4-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]-4-methyl-2-pyridinamine
C22H20ClN3 (361.13456700000006)
N-(3,4-dimethoxyphenyl)-1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinamine
3-(1-Benzotriazolylmethyl)-6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
C18H15N7S (361.11095900000004)
2-[[3-(4-Fluorophenyl)-7-triazolo[4,5-d]pyrimidinyl]thio]butanoic acid ethyl ester
5-PyriMidinecarboxaMide, N-(5-fluoro-3-Methyl-1H-indol-1-yl)-4-Methyl-2-(2-pyridinyl)-
8-Methyl-3-(2-propylpentanoyloxy)tropinium bromide
N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine
(2s)-3-[(R)-[(1s)-1-Amino-3-Phenylpropyl](Hydroxy)phosphoryl]-2-Benzylpropanoic Acid
C19H24NO4P (361.14428740000005)
D-Naphthyl-1-Acetamido Boronic Acid Alanine
C17H22BN2O6- (361.15708420000004)
L-Naphthyl-1-Acetamido Boronic Acid Alanine
C17H22BN2O6- (361.15708420000004)
(6Z)-6-{[(1Z)-1-{[(1R)-1-Carboxy-2-methyl-2-propen-1-yl]imino}-1-hydroxy-3-sulfanyl-2-propanyl]imino}-6-hydroxynorleucine
5-(tert-butylsulfamoyl)-2-methyl-N-(5-methylpyridin-2-yl)benzamide
(2S)-3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoic acid
1-Azabicyclo[2.2.2]octan-3-yl-bis(3-chlorophenyl)methanol
2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetic acid
1-Amino-5-(4-morpholinyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid ethyl ester
1-(3,5-Dimethylphenyl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]urea
(1,2-Dimethyl-3-indolyl)-diphenyl-sulfanylidenephosphorane
azanigerone D
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.
N-[2-(2-ethyl-5-tetrazolyl)phenyl]-3-(1-tetrazolyl)benzamide
N-[4-(dimethylamino)phenyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
N-(4-methoxyphenyl)-5-[2-(trifluoromethyl)phenyl]-2-furancarboxamide
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(2-pyridinylthio)methyl]-4-triazolecarboxylic acid propan-2-yl ester
C14H15N7O3S (361.09570400000007)
Ethyl 4-{[1-(ethylsulfonyl)piperidin-4-yl]carbonyl}piperazine-1-carboxylate
2-(2-methyl-1-benzimidazolyl)acetic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
(4Z)-2-(4-methoxyphenyl)-4-[(1,2,4-triazol-4-ylamino)methylidene]isoquinoline-1,3-dione
6-(3-methoxyphenyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine
C21H19N3OS (361.12487640000006)
2-(4-Fluoro-3-methylphenyl)sulfonyl-5-(2-methoxyphenyl)-3-pyrazolamine
5-[4-(diethylamino)-2-methoxybenzylidene]-1-ethyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
methyl (2-chloro-5-{(1Z)-N-[(6-methylpyridin-2-yl)methoxy]ethanimidoyl}benzyl)carbamate
C18H20ClN3O3 (361.11931200000004)
1-Trifluoromethoxyphenyl-3-(1-propionylpiperidin-4-yl) urea
N-[2-(2-ethyl-5-tetrazolyl)phenyl]-4-(1-tetrazolyl)benzamide
2-Cyano-3-(4,5-dimethoxy-2-nitro-phenyl)-N-(tetrahydro-furan-2-ylmethyl)-acrylamide
2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-pyridinylmethyl)acetamide
(5E)-5-(1-ethylquinolin-2-ylidene)-3-methyl-1-phenyl-2-sulfanylideneimidazolidin-4-one
C21H19N3OS (361.12487640000006)
N-(3,4-dimethoxyphenyl)-2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio]acetamide
C17H19N3O4S (361.10962140000004)
5-[[1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]-1,3-dihydrobenzimidazol-2-one
3-Methylbutyl (1S,5R,7R)-4-oxo-3-(thiophen-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
C19H23NO4S (361.13477180000007)
2-cyclopropyl-N-[(1E)-1-(2,4-dihydroxyphenyl)ethylidene]quinoline-4-carbohydrazide
(3R)-3-{[(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoate
A hydroxy monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (3R)-3-{[(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoic acid. A tetramer of (3R)-hydroxybutanoate; the major microspecies at pH 7.3.
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-imino-1-pentyl-2H-pyrrol-3-ol
C18H20ClN3OS (361.1015540000001)
2-[2-Hex-1-ynyl-6-(methylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
C17H23N5O4 (361.17499580000003)
N-[3-(2-chloro-10-phenothiazinyl)propyl]butane-1,4-diamine
C19H24ClN3S (361.13793740000006)
2-[(2S,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
methyl 2-[(2R,5R,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate
methyl 2-[(2R,5S,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate
2-[(2S,5R,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
methyl 2-[(2S,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]acetate
methyl (1R,9S,10S,11S)-10-(hydroxymethyl)-6-oxo-12-(1,3-thiazol-2-ylmethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate
C17H19N3O4S (361.10962140000004)
methyl (1S,9R,10R,11R)-10-(hydroxymethyl)-6-oxo-12-(1,3-thiazol-2-ylmethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate
C17H19N3O4S (361.10962140000004)
(2S,3S,3aR,9bR)-1-(cyclopentylcarbamoyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid
C18H23N3O5 (361.16376280000003)
(2R,3R,3aS,9bS)-1-(cyclopentylcarbamoyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid
C18H23N3O5 (361.16376280000003)
2-[(1R,3R,4aR,9aS)-6-[(2-cyclopropyl-1-oxoethyl)amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1R,3R,4aS,9aR)-6-[(2-cyclopropyl-1-oxoethyl)amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1S,3R,4aR,9aS)-6-[(2-cyclopropyl-1-oxoethyl)amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
4-[(3aR,4S,9bS)-1-acetyl-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile
2-[(2R,5S,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
2-[(2R,5R,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
2-[(2S,5R,6R)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester
2-[(1S,3S,4aS,9aR)-6-[(2-cyclopropyl-1-oxoethyl)amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1R,3S,4aR,9aS)-6-[(2-cyclopropyl-1-oxoethyl)amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1S,3R,4aS,9aR)-6-[(2-cyclopropyl-1-oxoethyl)amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1S,3S,4aR,9aS)-6-[(2-cyclopropyl-1-oxoethyl)amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
2-[(1R,3S,4aS,9aR)-6-[(2-cyclopropyl-1-oxoethyl)amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
[(2R,3S,4S)-1-(4-ethyl-2-thiazolyl)-4-[(2-methoxyethylamino)methyl]-3-phenyl-2-azetidinyl]methanol
4-[(3aS,4R,9bR)-1-acetyl-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile
4-[(3aR,4R,9bS)-1-acetyl-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile
4-[(3aS,4S,9bR)-1-acetyl-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile
Ethyl 4-(4-hydroxyphenyl)-2-methyl-5-oxo-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
(5E)-2-(3,4-dimethylphenyl)imino-5-[(1-methylindol-3-yl)methylidene]-1,3-thiazolidin-4-one
C21H19N3OS (361.12487640000006)
Butyl N-trifluoroacetyl 1-aminobutylphosphonate
C14H27F3NO4P (361.16297080000004)
(3R)-4-(Methoxymethyl-thio)-3-(N-methoxymethyl-N-tosyl)aminobutan-2-one
C15H23NO5S2 (361.10175879999997)
1,2-Di(methoxycarbonyl)-5-phenyl-3H-pyrrolo[2,1,5-de]quinolizin-3-one
C21H15NO5 (361.09501800000004)
5-hydroxyomeprazole
C17H19N3O4S (361.10962140000004)
A sulfoxide that is omeprazole in which one of the methyl hydrogens at position 5 on the pyridine ring is substituted by a hydroxy group.
Nitroflurbiprofen
C19H20FNO5 (361.13254420000004)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor
HIF-1α-IN-2
C21H19N3OS (361.12487640000006)
HIF-1α-IN-2 is an effective HIF-1α inhibitor with anticancer potencies (IC50s of 28 nM and 15 nM in MDA-MB-231 and MiaPaCa-2 cells, respectively). HIF-1α-IN-2?suppresses HIF-1α expression by blocking transcription and?protein translation[1].
H-Ile-Pro-Pro-OH (hydrochloride)
H-Ile-Pro-Pro-OH hydrochloride, a milk-derived peptide[1], inhibits angiotensin-converting enzyme (ACE)[1] with an IC50 of 5 μM[2]. Antihypertensive tripeptides[1].
SR59230A (hydrochloride)
C21H28ClNO2 (361.18084580000004)
SR59230A hydrochloride is a potent, selective, and blood-brain barrier penetrating β3-adrenergic receptor antagonist[1] with IC50s of 40, 408, and 648 nM for β3, β1, and β2 receptors, respectively[2].
(2s)-5-carbamimidamido-2-[2-(6-hydroxy-1h-indol-3-yl)-2-oxoacetamido]pentanoic acid
1,2-dimethyl (1r,2s)-1,2-dimethoxy-3-methyl-8-oxocyclobuta[b]quinoline-1,2-dicarboxylate
(2r,3r,4s,5s,6r)-2-({6-[(z)-(hydroxyimino)methyl]-[2,2'-bipyridin]-4-yl}oxy)-6-methyloxane-3,4,5-triol
1,2-dimethyl 1,2-dimethoxy-3-methyl-8-oxocyclobuta[b]quinoline-1,2-dicarboxylate
(1s,2s,6r,8s,9s,10s)-9,15,16-trimethoxy-3-methyl-7,11-dioxa-3-azapentacyclo[8.8.0.0²,⁶.0⁶,⁸.0¹³,¹⁸]octadeca-13(18),14,16-trien-12-one
2-[4-hydroxy-2-methoxy-6-(methoxycarbonyl)phenoxy]-6-methoxy-4-methylbenzenecarboximidic acid
n-[2-hydroxy-4-(methoxycarbonyl)phenyl]-2,3,4-trimethoxybenzenecarboximidic acid
7-carbomethoxyevodiamine
{"Ingredient_id": "HBIN013131","Ingredient_name": "7-carbomethoxyevodiamine","Alias": "NA","Ingredient_formula": "C21H19N3O3","Ingredient_Smile": "NA","Ingredient_weight": "361.39","OB_score": "NA","CAS_id": "69754-01-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7463","PubChem_id": "NA","DrugBank_id": "NA"}
7,9,9-trimethoxy-13-methyl-10-azapentacyclo[9.7.1.0²,¹⁰.0³,⁸.0¹⁵,¹⁹]nonadeca-1,3(8),4,6,11,13,15(19),16-octaen-18-one
(2r)-1-({4,7-dimethoxyfuro[2,3-b]quinolin-6-yl}oxy)-3-methoxy-3-methylbutan-2-ol
(3s,4r)-5-hydroxy-3,4-bis(6-hydroxy-1h-indol-3-yl)-3,4-dihydropyrrol-2-one
C20H15N3O4 (361.10625100000004)
(1s,13r,16s,17r)-17-hydroxy-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-trien-16-yl acetate
(1s,13r,16s,17r)-16-hydroxy-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-trien-17-yl acetate
2-[(1z,2s,3s,4s,6r)-2,4-dihydroxy-3-methoxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexylidene]acetonitrile
7-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}-3,5-dimethylhepta-4,6-dienoic acid
methyl 2-hydroxy-3-{4-[5-hydroxy-4-(2-methylpropyl)-2-oxopyrrol-3-yl]phenoxy}butanoate
5-hydroxy-3,4-bis(6-hydroxy-1h-indol-3-yl)-3,4-dihydropyrrol-2-one
C20H15N3O4 (361.10625100000004)
1,6-dihydroxy-2,3,4,5-tetramethoxy-10-methylacridin-9-one
14-ethyl-9-oxo-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,10,12(21)-pentaene-10-carboxamide
7-[(2,4-dimethylhexanoyl)oxy]-6-hydroxy-7-methyl-8-oxoisoquinoline-3-carboxylic acid
(2s)-1-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-3-methoxy-3-methylbutan-2-ol
17-hydroxy-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-trien-16-yl acetate
methyl 1-methyl-4-oxo-2-(1,2,3-trimethoxy-3-oxoprop-1-en-1-yl)quinoline-3-carboxylate
17,18-dimethoxy-21-methyl-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1,3,5,7,9,15(20),16,18-octaen-14-one
1-({4,7-dimethoxyfuro[2,3-b]quinolin-6-yl}oxy)-3-methoxy-3-methylbutan-2-ol
(4s,5r,6s,8s,10r)-10-[(2,6-dihydroxypyrimidin-4-yl)methyl]-5-methyl-2,11,12-triazatricyclo[6.3.1.0⁴,¹²]dodec-1-en-6-yl acetate
C17H23N5O4 (361.17499580000003)
7-hydroxy-9-(5-hydroxy-1h-indol-3-yl)-3,10-diazatricyclo[6.4.1.0⁴,¹³]trideca-1,4,6,8(13),9-pentaene-11-carboxylic acid
C20H15N3O4 (361.10625100000004)
3,8-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazole-7,10-dione
C23H23NO3 (361.16778480000005)
9-hydroxy-2,2-dimethyl-10-(3-methylbut-2-en-1-yl)-11h-pyrano[2,3-a]carbazole-8-carbaldehyde
C23H23NO3 (361.16778480000005)
1-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-3-methoxy-3-methylbutan-2-ol
(2s,3r,5s)-2-(hydroxymethyl)-5-[4-(phenanthren-9-yl)-1,2,3-triazol-1-yl]oxolan-3-ol
5-carbamimidamido-2-[2-(6-hydroxy-1h-indol-3-yl)-2-oxoacetamido]pentanoic acid
(3s)-3,8-dimethyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazole-7,10-dione
C23H23NO3 (361.16778480000005)
11-hydroxy-2,2-dimethyl-12-(3-methylbut-2-en-1-yl)-5h-1-oxa-5-azatetraphen-10-one
C23H23NO3 (361.16778480000005)
(11r)-7-hydroxy-9-(5-hydroxy-1h-indol-3-yl)-3,10-diazatricyclo[6.4.1.0⁴,¹³]trideca-1,4,6,8(13),9-pentaene-11-carboxylic acid
C20H15N3O4 (361.10625100000004)
(1s,2s,6r,8s,9r,10s)-9,15,16-trimethoxy-3-methyl-7,11-dioxa-3-azapentacyclo[8.8.0.0²,⁶.0⁶,⁸.0¹³,¹⁸]octadeca-13(18),14,16-trien-12-one
5-hydroxy-2,2-dimethyl-12-(3-methylbut-2-en-1-yl)-11h-1-oxa-11-azatetracen-6-one
C23H23NO3 (361.16778480000005)
(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-[(2r)-2-hydroxy-3-(1h-pyrrole-2-carbonyloxy)propoxy]oxane-2-carboxylic acid
(2r)-5-carbamimidamido-2-[2-(6-hydroxy-1h-indol-3-yl)-2-oxoacetamido]pentanoic acid
methyl 1-methyl-4-oxo-2-[(1z)-1,2,3-trimethoxy-3-oxoprop-1-en-1-yl]quinoline-3-carboxylate
1,2-dimethyl (1r,2r)-1,2-dimethoxy-3-methyl-8-oxocyclobuta[b]quinoline-1,2-dicarboxylate
(1r,9s,10r,11r,12s)-13-[(2z)-3-methoxy-4-methyl-5-oxofuran-2-ylidene]-12-methyl-14,15-dioxa-5-azatetracyclo[7.5.1.0¹,¹¹.0⁵,¹⁰]pentadecan-6-one
9,15,16-trimethoxy-3-methyl-7,11-dioxa-3-azapentacyclo[8.8.0.0²,⁶.0⁶,⁸.0¹³,¹⁸]octadeca-13(18),14,16-trien-12-one
(3s)-10-hydroxy-3-methyl-3-(4-methylpent-3-en-1-yl)-11h-pyrano[3,2-a]carbazole-8-carbaldehyde
C23H23NO3 (361.16778480000005)
(2s)-1-({4,7-dimethoxyfuro[2,3-b]quinolin-6-yl}oxy)-3-methoxy-3-methylbutan-2-ol
2-[(1e,2s,3r,4s,6r)-2,3-dihydroxy-4-methoxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexylidene]acetonitrile
(2s,3s,9s,10s,12s)-12,20-dimethoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(13),7,14,19-tetraen-9-ol
4-[(2,2-dimethylchromen-6-yl)methyl]-5-hydroxy-3-(4-hydroxyphenyl)pyrrol-2-one
18-methoxy-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2(10),3,8,11,14(19),15,17,20-nonaen-17-yl acetate
C21H15NO5 (361.09501800000004)
(3r,4e,6e)-7-{[1-carboxy-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}-3,5-dimethylhepta-4,6-dienoic acid
2-({6-[(hydroxyimino)methyl]-[2,2'-bipyridin]-4-yl}oxy)-6-methyloxane-3,4,5-triol
(11s)-7-hydroxy-9-(5-hydroxy-1h-indol-3-yl)-3,10-diazatricyclo[6.4.1.0⁴,¹³]trideca-1,4,6,8(13),9-pentaene-11-carboxylic acid
C20H15N3O4 (361.10625100000004)