Exact Mass: 349.096
Exact Mass Matches: 349.096
Found 445 metabolites which its exact mass value is equals to given mass value 349.096,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ampicillin
Ampicillin is found in common pea. It is also a potential contaminant of cows milk arising from its veterinary use. Ampicillin is a semi-synthetic derivative of penicillin that functions as an orally active broad-spectrum antibiotic. It has been used extensively to treat bacterial infections since 1961. It is considered part of the aminopenicillin family and is roughly equivalent to amoxicillin in terms of spectrum and level of activity J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AA - Antibiotics 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 KEIO_ID A197
Fentrazamide
Voriconazole
Voriconazole (Vfend, Pfizer) is a triazole antifungal medication used to treat serious fungal infections. It is used to treat invasive fungal infections that are generally seen in patients who are immunocompromised. These include invasive candidiasis, invasive aspergillosis, and emerging fungal infections. J - Antiinfectives for systemic use > J02 - Antimycotics for systemic use > J02A - Antimycotics for systemic use > J02AC - Triazole and tetrazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065692 - Cytochrome P-450 CYP3A Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate
m-Cppamp
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D065093 - beta-Lactamase Inhibitors D004791 - Enzyme Inhibitors
10-Hydroxydihydrosanguinarine
A benzophenanthridine alkaloid comprising dihydrosanguinarine carrying a hydroxy substituent at the 10-position.
Cefradine
Cefradine is only found in individuals that have used or taken this drug. It is a semi-synthetic cephalosporin antibiotic.Cefradine is a first generation cephalosporin antibiotic with a spectrum of activity similar to Cefalexin. Cefradine, like the penicillins, is a beta-lactam antibiotic. By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, it inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that Cefradine interferes with an autolysin inhibitor. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DB - First-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Ulifloxacin
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
S-(Formylmethyl)glutathione
This compound belongs to the family of Peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
Mitomycin A
A member of the family of mitomycins that exhibits antibiotic and antitumour properties as well as a high level of toxicity. C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents > D000903 - Antibiotics, Antineoplastic > D008937 - Mitomycins
1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate
A deoxyribulose phosphate that is D-ribulose 5-phosphate in which the hydroxy group at position 1 is replaced by a 2-carboxyphenylamino group.
R-138727
R-138727 is only found in individuals that have used or taken Prasugrel. R-138727 is a metabolite of Prasugrel. R-138727 belongs to the family of Phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
Loracarbef
Loracarbef is only found in individuals that have used or taken this drug. It is a carbacephem antibiotic sometimes grouped together with the second-generation cephalosporin antibiotics. It is marketed under the trade name Lorabid.Loracarbef is an oral, synthetic beta-lactam antibiotic of the carbacephem class. Chemically, carbacephems differ from cephalosporin-class antibiotics in the dihydrothiazine ring where a methylene group has been substituted for a sulfur atom. Loracarbef has a spectrum of activity similar to that of the second generation cephalosporins. It is structurally identical to cefaclor except for a sulfur atom that has been replaced by a methylene group. This change gives greater chemical stability in solution and allows storage at room temperature. Loracarbef, like all b-lactams and cephalosporins, inhibits penicillin binding proteins, enzymes that create the cross-linkage of the peptidoglycan polymer. This binding leads to interference with the formation and remodeling of the cell wall structure. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DC - Second-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Pefloxacin N-oxide
Pefloxacin N-oxide is a metabolite of pefloxacin. Pefloxacin is a synthetic chemotherapeutic agent used to treat severe and life threatening bacterial infections. Pefloxacin is commonly referred to as a fluoroquinolone drug and is a member of the fluoroquinolone class of antibacterials. It is an analog of norfloxacin. It is a synthetic fluoroquinolone, belonging to the 3rd generation of quinolones. Pefloxacin is extensively prescribed in France. Pefloxacin has not been approved for use in the United States. (Wikipedia) D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
5-[(3S)-1,2-Dithiolan-3-yl]pentanoylcarnitine
5-[(3S)-1,2-Dithiolan-3-yl]pentanoylcarnitine is an acylcarnitine. More specifically, it is an 5-[(3S)-1,2-dithiolan-3-yl]pentanoic 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. 5-[(3S)-1,2-Dithiolan-3-yl]pentanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 5-[(3S)-1,2-Dithiolan-3-yl]pentanoylcarnitine 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].
Silmitasertib
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-(4-((5-Chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)propanoic acid 2-propyn-1-yl ester
4-(3'-Di(2-chloroethyl)aminopropionyl)biphenyl
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds
3-Dibenzofuran-3-yl-2-(phosphonomethylamino)propanoic acid
Azasetron
{1-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene}acetic acid
Dihydrochelerythrine
Dihydrochelerythrine is a natural compound isolated from Corydalis yanhusuo; has antifungal activity. IC50 value: Target: in vitro: Dihydrochelerythrine showed the highest antifungal activity against B. cinerea Pers, with 98.32\\% mycelial growth inhibition at 50 μg/mL. Dihydrochelerythrine inhibited spore germination in vitro in a concentration-dependent manner [1]. Dihydrochelerythrine appeared to be less cytotoxic since the viability of cells exposed to 20 microM dihydrochelerythrine for 24h was reduced only to 53\\%. A dose-dependent induction of apoptosis and necrosis by chelerythrine and dihydrochelerythrine was confirmed by annexin V/propidium iodide dual staining flow cytometry [2]. Dihydrochelerythrine (4) exhibited strong activity against methicillin-resistant Staphylococcus aureus SK1 and moderate activity against Escherichia coli TISTR 780 with MIC values of 8 and 16 μg/mL, respectively [3]. Dihydrochelerythrine is a natural compound isolated from Corydalis yanhusuo; has antifungal activity. IC50 value: Target: in vitro: Dihydrochelerythrine showed the highest antifungal activity against B. cinerea Pers, with 98.32\% mycelial growth inhibition at 50 μg/mL. Dihydrochelerythrine inhibited spore germination in vitro in a concentration-dependent manner [1]. Dihydrochelerythrine appeared to be less cytotoxic since the viability of cells exposed to 20 microM dihydrochelerythrine for 24h was reduced only to 53\%. A dose-dependent induction of apoptosis and necrosis by chelerythrine and dihydrochelerythrine was confirmed by annexin V/propidium iodide dual staining flow cytometry [2]. Dihydrochelerythrine (4) exhibited strong activity against methicillin-resistant Staphylococcus aureus SK1 and moderate activity against Escherichia coli TISTR 780 with MIC values of 8 and 16 μg/mL, respectively [3].
gamma-Glutamyl-5-hydroxytryptophan
Glutathione monoisopropyl ester
Hydroxytriamterene sulfate
Mitomycin A
3-Quinolinecarboxylic acid, 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
Perampanel
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
6-[(2S,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]oxane-2,5-dione
Texaphyrin
Dihydrochelerythrine
Dihydrochelerythrine is a benzophenanthridine alkaloid. Dihydrochelerythrine is a natural product found in Zanthoxylum coriaceum, Zanthoxylum gilletii, and other organisms with data available. Dihydrochelerythrine is a natural compound isolated from Corydalis yanhusuo; has antifungal activity. IC50 value: Target: in vitro: Dihydrochelerythrine showed the highest antifungal activity against B. cinerea Pers, with 98.32\\% mycelial growth inhibition at 50 μg/mL. Dihydrochelerythrine inhibited spore germination in vitro in a concentration-dependent manner [1]. Dihydrochelerythrine appeared to be less cytotoxic since the viability of cells exposed to 20 microM dihydrochelerythrine for 24h was reduced only to 53\\%. A dose-dependent induction of apoptosis and necrosis by chelerythrine and dihydrochelerythrine was confirmed by annexin V/propidium iodide dual staining flow cytometry [2]. Dihydrochelerythrine (4) exhibited strong activity against methicillin-resistant Staphylococcus aureus SK1 and moderate activity against Escherichia coli TISTR 780 with MIC values of 8 and 16 μg/mL, respectively [3]. Dihydrochelerythrine is a natural compound isolated from Corydalis yanhusuo; has antifungal activity. IC50 value: Target: in vitro: Dihydrochelerythrine showed the highest antifungal activity against B. cinerea Pers, with 98.32\% mycelial growth inhibition at 50 μg/mL. Dihydrochelerythrine inhibited spore germination in vitro in a concentration-dependent manner [1]. Dihydrochelerythrine appeared to be less cytotoxic since the viability of cells exposed to 20 microM dihydrochelerythrine for 24h was reduced only to 53\%. A dose-dependent induction of apoptosis and necrosis by chelerythrine and dihydrochelerythrine was confirmed by annexin V/propidium iodide dual staining flow cytometry [2]. Dihydrochelerythrine (4) exhibited strong activity against methicillin-resistant Staphylococcus aureus SK1 and moderate activity against Escherichia coli TISTR 780 with MIC values of 8 and 16 μg/mL, respectively [3].
Clodinafop-propargyl
CONFIDENCE standard compound; INTERNAL_ID 1315; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9499; ORIGINAL_PRECURSOR_SCAN_NO 9497 CONFIDENCE standard compound; INTERNAL_ID 1315; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9496; ORIGINAL_PRECURSOR_SCAN_NO 9491 CONFIDENCE standard compound; INTERNAL_ID 1315; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9519; ORIGINAL_PRECURSOR_SCAN_NO 9517 CONFIDENCE standard compound; INTERNAL_ID 1315; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9530; ORIGINAL_PRECURSOR_SCAN_NO 9528 CONFIDENCE standard compound; INTERNAL_ID 1315; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9535; ORIGINAL_PRECURSOR_SCAN_NO 9533 CONFIDENCE standard compound; INTERNAL_ID 1315; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9546; ORIGINAL_PRECURSOR_SCAN_NO 9545
Azasetron
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
1-Methoxy-2-hydroxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-13(12H)-one
9-O-acetyl-2-deoxy-N-glycoloyl-2,3-didehydroneuraminic acid
O1-(4-sulfamoyl-phenyl)-beta-D-glucopyranuronic acid|O1-(4-Sulfamoyl-phenyl)-beta-D-glucopyranuronsaeure
2-hydroxy-3-methoxy-12-methyl-12h-[1,3]dioxolo [4,5:4,5]benzo[1,2-c]-phenanthridin-13-one
Norisoboldine hydrochloride
Laurolitsine hydrochloride
Ampicillin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AA - Antibiotics 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 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.412 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.411 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3661 EAWAG_UCHEM_ID 3661; CONFIDENCE standard compound
Voriconazole
J - Antiinfectives for systemic use > J02 - Antimycotics for systemic use > J02A - Antimycotics for systemic use > J02AC - Triazole and tetrazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065692 - Cytochrome P-450 CYP3A Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
loracarbef
A synthetic "carba" analogue of cefaclor, with carbon replacing sulfur at position 1. Used to treat a wide range of infections caused by both gram-positive and gram-negative bacteria. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DC - Second-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Cys Gly Gly Asn
Cys Gly Asn Gly
Cys Asn Gly Gly
Gly Cys Gly Asn
Gly Cys Asn Gly
Gly Gly Cys Asn
Gly Gly Asn Cys
Gly Asn Cys Gly
Gly Asn Gly Cys
Asn Cys Gly Gly
Asn Gly Cys Gly
Asn Gly Gly Cys
R-138727
2-amino-6-(3-chlorophenyl)-3-nitro-4-phenylbenzonitrile
ETHYL 2-(BENZOYL-3-CHLORO-4-FLUOROANILINO)PROPANOATE
(4-(N-Ethyl-N-(4-methoxybenzyl)sulfamoyl)phenyl)boronic acid
(2R,3S/2S,3R)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
2-Acetamido-4-fluoro-1,3,6-tri-O-acetyl-2,4-dideoxy-D-glucopyranose
Thiazolidine, 3-[(4-methoxyphenyl)sulfonyl]-2-(4-methylphenyl)- (9CI)
2-Amino-4,5-bis(2-methoxyethoxy)benzoic acid ethyl ester hydrochloride
N7-(4-METHOXYPHENYL)-N2-PHENYLTHIAZOLO[5,4-D]PYRIMIDINE-2,7-DIAMINE
2-amino-6-(4-chlorophenyl)-3-nitro-4-phenylbenzonitrile
2-HYDROXY-3-(4-METHOXY-PHENYL)-3-(2-NITRO-PHENYLSULFANYL)-PROPIONIC ACID
Resminostat
C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
METHYL 1-(4-CYANO-PHENYL)-5-(4-METHYLSULFANYL-PHENYL)-1H-PYRAZOLE-3-CARBOXYLATE
(-)-(1s,4r)-n-fmoc-4-aminocyclopent-2-enecarboxylic acid
METHYL 2-BROMO-3-CYCLOHEXYL-1-METHYL-1H-INDOLE-6-CARBOXYLATE
(3S,4R)-1-BENZYL-4-(4-(TRIFLUOROMETHYL)PHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
benzyl N-(3-cyano-6-methoxy-4-oxo-1H-quinolin-7-yl)carbamate
7-chloro-1-(p-tolylsulfonyl)-3,4-dihydro-2H-1-benzazepin-5-one
[R-(R*,S*)]-3-[(2-hydroxy-1-methyl-2-phenylethyl)amino]-3-methoxypropiophenone hydrochloride
(S)-2-BENZYL-3-(BENZYLOXY)-3-OXOPROPANE-1-SULFONIC ACID
2-BENZYLOXY-1-METHYLPYRIDINIUM TRIFLUOROMETHANESULFONATE
R 138727
Cinmetacin
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
ETHYL 5-HYDROXY-7-OXO-2-PHENYL-8-(PROP-2-YNYL)-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
(4-PIPERAZIN-1-YL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER DIHYDROCHLORIDE
naftalofos
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
3-ethyl-2-methylbenzothiazolium p-toluenesulfonate
1-[3,5-bis(trifluoromethyl)phenyl]biguanide hydrochloride
3-(4-Ethoxy-3-methoxy-phenyl)-3-[(thiophene-2-carbonyl)-amino]-propionic acid
6-(1,3-Dioxolo[4,5-g]isoquinolin-5-yl)furo[3,4-e]-1,3-benzodioxol-8(6H)-one
(1S,3R)-1-(1,3-Benzodioxol-5-yl)-N-methyl-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxamide
2-Amino-4-fluoro-5-[(1-methyl-1H-imidazol-2-yl)thio]-N-thiazol-2-ylbenzamide
4-[4-(BENZYLOXY)PHENYL]-5-(2-FURYL)-4H-1,2,4-TRIAZOLE-3-THIOL
tert-butyl 4-(4-aMinophenyl)piperazine-1-carboxylate dihydrochloride
Cyclobutanemethanamine, 1-(3,4-dichlorophenyl)-N,N-dimethyl-α-(2-methylpropyl)-, hydrochloride ()
8-Chloro-1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-5H-1-benzazepin-5-one
2-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-nitrobenzoic acid ethyl ester
3-{[(4-Methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate
(4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
Ecopipam hydrochloride
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent Ecopipam (SCH 39166) hydrochloride is a potent, selective and orally active antagonist of dopamine D1/D5 receptor, with Kis of 1.2 nM and 2.0 nM, respectively. Ecopipam hydrochloride shows more than 40-flod selectivity over D2, D4, 5-HT, and α2a receptor (Ki=0.98, 5.52, 0.08, and 0.73 μM, respectively). Ecopipam hydrochloride can be used for the research of schizophrenia and obesity[1][3].
Biphenamine hydrochloride
C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Mitomycin B
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents > D000903 - Antibiotics, Antineoplastic > D008937 - Mitomycins A member of the family of mitomycins that exhibits antibiotic and antitumour properties.
2-(4-((5-Chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)propanoic acid 2-propyn-1-yl ester
2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-(3-methylphenyl)acetamide
3-(2-Oxolanylmethylthio)-5,6-diphenyl-1,2,4-triazine
6-(benzo[d][1,3]dioxol-5-yl)-N-((tetrahydrofuran-3-yl)methyl)quinazolin-4-amine
N-(1,3-benzodioxol-5-yl)-2,3-diethyl-6-quinoxalinecarboxamide
2-phenoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
2-[[2-(3-Methyl-2-methylimino-4-oxo-5-thiazolidinyl)-1-oxoethyl]amino]benzoic acid ethyl ester
2-[2-[[Benzamido(sulfanylidene)methyl]amino]-4-thiazolyl]acetic acid ethyl ester
(E)-N-(furan-2-ylmethyl)-2-(3,4,5-trimethoxybenzylidene)hydrazinecarbothioamide
2-[[5-(4-Ethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-morpholinyl)ethanone
(Z)-butyl 3-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)propanoate
4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide
7-(2-Amino-2-phenyl-acetylamino)-3-chloro-8-oxo-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Perampanel
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
AIDS-106788
Dihydrochelerythrine is a natural compound isolated from Corydalis yanhusuo; has antifungal activity. IC50 value: Target: in vitro: Dihydrochelerythrine showed the highest antifungal activity against B. cinerea Pers, with 98.32\\% mycelial growth inhibition at 50 μg/mL. Dihydrochelerythrine inhibited spore germination in vitro in a concentration-dependent manner [1]. Dihydrochelerythrine appeared to be less cytotoxic since the viability of cells exposed to 20 microM dihydrochelerythrine for 24h was reduced only to 53\\%. A dose-dependent induction of apoptosis and necrosis by chelerythrine and dihydrochelerythrine was confirmed by annexin V/propidium iodide dual staining flow cytometry [2]. Dihydrochelerythrine (4) exhibited strong activity against methicillin-resistant Staphylococcus aureus SK1 and moderate activity against Escherichia coli TISTR 780 with MIC values of 8 and 16 μg/mL, respectively [3]. Dihydrochelerythrine is a natural compound isolated from Corydalis yanhusuo; has antifungal activity. IC50 value: Target: in vitro: Dihydrochelerythrine showed the highest antifungal activity against B. cinerea Pers, with 98.32\% mycelial growth inhibition at 50 μg/mL. Dihydrochelerythrine inhibited spore germination in vitro in a concentration-dependent manner [1]. Dihydrochelerythrine appeared to be less cytotoxic since the viability of cells exposed to 20 microM dihydrochelerythrine for 24h was reduced only to 53\%. A dose-dependent induction of apoptosis and necrosis by chelerythrine and dihydrochelerythrine was confirmed by annexin V/propidium iodide dual staining flow cytometry [2]. Dihydrochelerythrine (4) exhibited strong activity against methicillin-resistant Staphylococcus aureus SK1 and moderate activity against Escherichia coli TISTR 780 with MIC values of 8 and 16 μg/mL, respectively [3].
3-(2-chlorophenyl)-2,5-dimethyl-N-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
3,8,9-Trimethoxy-5-methylbenzo[c]phenanthridin-2-one
estrone 3-sulfate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(6R,7R)-7-[[(2R)-2-azaniumyl-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
(2S,5R,6R)-6-[[(2R)-2-azaniumyl-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
[(3S)-3-acetamido-4-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-4-oxobutyl]-oxido-oxophosphanium
4-amino-5-[2-amino-3-(1H-indol-3-yl)propanoyl]peroxy-5-oxopentanoic acid
(E)-5-[3-[(hydroxy-oxido-phenylphosphaniumyl)amino]-2-bicyclo[2.2.1]heptanyl]pent-3-enoic acid
6-[(2S,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]oxane-2,5-dione
{[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide
(6R,7S)-7-{[(2R)-2-ammonio-2-phenylacetyl]amino}-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
N-[[[2-(2-methoxyphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide
6-(1,3-benzodioxol-5-yl)-N-(2-oxolanylmethyl)-4-quinazolinamine
N-(5-acetyl-2-phenyl-4-sulfanylidene-1H-pyrimidin-6-yl)benzamide
2-Furanyl-[4-(4-tetrazolo[1,5-a]quinoxalinyl)-1-piperazinyl]methanone
1-[[(2-Chlorophenyl)-oxomethyl]amino]-3-(2-methoxy-5-methylphenyl)thiourea
Propan-2-yl 2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
N,N-dimethylcarbamic acid [4-[6-(trifluoromethyl)-2-imidazo[1,2-a]pyridinyl]phenyl] ester
4-(4-chloro-2-methylphenoxy)-N-[3-(methylthio)phenyl]butanamide
6-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid methyl ester
3-(5-chloro-2-methylphenyl)-6-(2,6-dimethyl-4-morpholinyl)-1H-pyrimidine-2,4-dione
2-(2-Methoxyphenyl)-5-[2-(4-methoxyphenyl)ethylamino]-4-oxazolecarbonitrile
N-(2-methoxyphenyl)-2-phenyl-2-(phenylthio)acetamide
4-(4-Chlorophenyl)-4-oxobutanoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
N-(2-oxolanylmethyl)-5H-indazolo[2,3-a][3,1]benzoxazine-9-carboxamide
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester
(5E)-1-(2-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-7-nitro-1H-benzimidazole-4-carboxamide
N-[[(2,4-dimethyl-8-quinolinyl)amino]-sulfanylidenemethyl]-4-methylbenzamide
3-(4-Chlorophenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazolidin-4-one
N-{(E)-[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-phenylacetohydrazide
N-(2-furylmethylene)-2-(10H-phenothiazin-10-yl)acetohydrazide
N,N-bis(2-methoxyethyl)-2-thieno[3,2-b][1]benzothiolecarboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,5-dimethyl-1-pyrazolyl)benzamide
N-[1-oxo-3-phenyl-1-(2-pyridinylmethylamino)propan-2-yl]-2-furancarboxamide
N-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-4-fluoro-3-methylbenzenesulfonamide
6-Amino-1-(4-fluorophenyl)-3-methyl-4-thiophen-2-yl-5-pyrazolo[3,4-b]pyridinecarbonitrile
6-[(2,5-Dimethylphenyl)methyl]-3-(4-fluorophenyl)-7-triazolo[4,5-d]pyrimidinone
methyl (5E)-5-[(4-hydroxyphenyl)methylidene]-2-methyl-1-(4-methylphenyl)-4-oxopyrrole-3-carboxylate
N-(benzenesulfonamidocarbamothioyl)-4-methylbenzamide
6-(2-chlorophenyl)-N-(2-furanylmethyl)-N-methyl-4-quinazolinamine
N-{(1E)-[4-(methylthio)phenyl]methylene}-2-(2-naphthylamino)acetohydrazide
2-[[4-(2-furanylmethyl)-5-methyl-1,2,4-triazol-3-yl]thio]-N-(4-methyl-2-thiazolyl)acetamide
N-naphthalen-2-yl-2-[(E)-(3-nitrophenyl)methylideneamino]oxyacetamide
(15R)-13-(Furan-2-ylmethyl)-10,10-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
6-(1,3-benzodioxol-5-yl)-N-[[(2S)-2-oxolanyl]methyl]-4-quinazolinamine
(1S)-1-[(4-hydroxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol;chloride
2-(4-(Tert-butyl)benzamido)-4-chloro-5-fluorobenzoic acid
2-[4-[(3-Chloro-4-methoxyanilino)-oxomethyl]phenoxy]propanoic acid
(2S,3S)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1,2,4-triazol-1-yl)-2-butanol
4-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
3-(2-Chloro-7-hydroxy-10-phenothiazinyl)propyl-trimethylammonium
7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(E)-1-N-methyl-1-N-[2-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methylsulfonyl]ethyl]-2-nitroethene-1,1-diamine
(2S)-4-[(E)-2-[5-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-3-ium-3-yl]ethenyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
[(4S,6S,7R)-13-hydroxy-7,11-dimethoxy-12-methyl-10-oxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(13),8,11-trien-8-yl]methyl carbamate
[(4S,6S,7R)-7,13-dihydroxy-11-methoxy-5,12-dimethyl-10-oxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(13),8,11-trien-8-yl]methyl carbamate
Cefradine
A cephalosporin with a methyl substituent at position 3, and a (2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamido substituent at position 7, of the cephem skeleton. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01D - Other beta-lactam antibacterials > J01DB - First-generation cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
3-Carboxyphenyl phenylacetamidomethylphosphonate
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D065093 - beta-Lactamase Inhibitors D004791 - Enzyme Inhibitors
Ulifloxacin
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
Pefloxacin N-oxide
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
estrone 3-sulfate(1-)
The conjugate base of estrone 3-sulfate; major species at pH 7.3.
CFMTI
CFMTI inhibits L-glutamate-induced intracellular Ca2+ mobilization in CHO cells expressing human and rat mGluR1a, with IC50s of 2.6 and 2.3 nM, respectively[1].
Laurolitsine (hydrochloride)
Laurolitsine hydrochloride is an alkaloid isolated from Phoebe formosana, and shows weak anti-inflammatory activity.
Laurolitsine (hydrochloride)
Laurolitsine hydrochloride is an alkaloid isolated from Phoebe formosana, and shows weak anti-inflammatory activity.
Sirtuin modulator 2
Sirtuin modulator 2 (Compound 132) is a sirtuin modulator with an ED50 equal or less than 50 μM[1].
17,20-dimethoxy-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-18-ol
(3r,4r)-3,4,8-trihydroxy-5-methyl-5,10,20-triazapentacyclo[11.7.1.0²,⁷.0⁹,²¹.0¹⁴,¹⁹]henicosa-1,7,9,11,13(21),14,16,18-octaen-6-one
1-[(12r,13r)-13-hydroxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14,16,18-hexaen-11-yl]but-2-en-1-one
11,13-dihydroxy-8-(1h-indol-3-yl)-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),10,12-trien-2-one
10-{2h-[1,3]dioxolo[4,5-g]isoquinolin-5-yl}-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1,6,8-trien-12-one
13-methyl-5,7,19,21-tetraoxa-13-azahexacyclo[10.10.1.0²,¹⁰.0⁴,⁸.0¹⁶,²³.0¹⁸,²²]tricosa-1(23),2(10),3,8,11,16,18(22)-heptaene-14,15-dione
2-[(2s)-2-[(1r)-1-carboxyethyl]-4-hydroxy-5,7-dioxo-2h,3h-furo[2,3-f]isoindol-6-yl]propanoic acid
3,8,9-trimethoxy-5-methylcyclohexa[c]phenanthridin-2-one
(2s)-2-[(2r)-6-[(1r)-1-carboxyethyl]-4-hydroxy-5,7-dioxo-2h,3h-furo[2,3-f]isoindol-2-yl]propanoic acid
2-[6-(1-carboxyethyl)-4-hydroxy-5,7-dioxo-2h,3h-furo[2,3-f]isoindol-2-yl]propanoic acid
methyl 2-(methylamino)-5-[(3s)-9-oxo-1h,2h,3h-pyrrolo[2,1-b]quinazolin-3-yl]benzoate
3-o-β-d-glucopyranosyl-(1→2)-β-d-quinovo-pyranosyl quinovicacid
{"Ingredient_id": "HBIN009173","Ingredient_name": "3-o-\u03b2-d-glucopyranosyl-(1\u21922)-\u03b2-d-quinovo-pyranosyl quinovicacid","Alias": "NA","Ingredient_formula": "C14H17Cl2NO5","Ingredient_Smile": "C1CN(C2=CC(=CC(=C21)Cl)Cl)C3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8713","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
