Exact Mass: 349.1314014000001
Exact Mass Matches: 349.1314014000001
Found 500 metabolites which its exact mass value is equals to given mass value 349.1314014000001,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ampicillin
C16H19N3O4S (349.10962140000004)
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
10-Hydroxydihydrosanguinarine
C20H15NO5 (349.09501800000004)
A benzophenanthridine alkaloid comprising dihydrosanguinarine carrying a hydroxy substituent at the 10-position.
Cefradine
C16H19N3O4S (349.10962140000004)
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.
Fenpropathrin
C22H23NO3 (349.16778480000005)
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins
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
Demethoxyfumitremorgin C
Demethoxyfumitremorgin C is produced by Aspergillus fumigatu
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.
Pefloxacin N-oxide
C17H20FN3O4 (349.14377720000005)
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].
(3R,4S)-2-[6-(Cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
C16H23N5O4 (349.17499580000003)
4-(3'-Di(2-chloroethyl)aminopropionyl)biphenyl
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds
N-Hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]-2-propenamide
Azasetron
C17H20ClN3O3 (349.11931200000004)
{1-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene}acetic acid
Cyclohexyladenosine
C16H23N5O4 (349.17499580000003)
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
Mitomycin A
Pancopride
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
Riddelliine
6-[(2S,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]oxane-2,5-dione
Texaphyrin
Arachin
Arachin is a member of the class of compounds known as quinazolinamines. Quinazolinamines are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups. Arachin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Arachin can be found in peanut, which makes arachin a potential biomarker for the consumption of this food product. Kodashim or Kodshim or Qodhashim (Hebrew: קדשים "Holy Things") is the fifth Order in the Mishnah (also the Tosefta and Talmud). Of the six Orders of the Mishnah, it is the third longest. Kodoshim deals largely with the religious service within the Temple in Jerusalem, the qorbanot ("sacrificial offerings"), and other subjects considered or related to these "Holy Things" .
16, 17-dihydro-16alpha, 17-dihydroxy GA9
C19H25O6- (349.16510500000004)
16, 17-dihydro-16alpha, 17-dihydroxy ga9 is also known as 16α, 17-[oh]2 gibberellin a9. 16, 17-dihydro-16alpha, 17-dihydroxy ga9 is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 16, 17-dihydro-16alpha, 17-dihydroxy ga9 can be found in a number of food items such as spirulina, leek, tinda, and fenugreek, which makes 16, 17-dihydro-16alpha, 17-dihydroxy ga9 a potential biomarker for the consumption of these food products. 16, 17-dihydro-16α, 17-dihydroxy ga9 is also known as 16α, 17-[oh]2 gibberellin a9. 16, 17-dihydro-16α, 17-dihydroxy ga9 is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 16, 17-dihydro-16α, 17-dihydroxy ga9 can be found in a number of food items such as spirulina, leek, tinda, and fenugreek, which makes 16, 17-dihydro-16α, 17-dihydroxy ga9 a potential biomarker for the consumption of these food products.
1ST14178
Spartioidine N-oxide is a pyrrolizine alkaloid that is 13,19-didehydrosenecionane carrying a hydroxy substituent at position 12, two oxo substituents at positions 11 and 16 and an N-oxido substituent. It has a role as a Jacobaea metabolite. It is a macrocyclic lactone, an olefinic compound, an organic heterotricyclic compound, a pyrrolizine alkaloid, a tertiary alcohol and a tertiary amine oxide. It is functionally related to a spartioidine. Seneciphylline N-oxide is a natural product found in Jacobaea persoonii with data available. A pyrrolizine alkaloid that is 13,19-didehydrosenecionane carrying a hydroxy substituent at position 12, two oxo substituents at positions 11 and 16 and an N-oxido substituent.
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].
Seneciphylline N-oxide
A pyrrolizine alkaloid that is produced by a hybrid species of Jacobaea. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2279
12,13-Dihydroprolyl-2-(1,1-dimethylallyltryptophyl) diketopiperazine
methyl 7-(3-acetylamino-2,5-dihydroxyphenyl)-7-hydroxy-4,6-dimethyl-2,4-heptadienoate
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-benzyl-1h-indole-3-carboxamide
Azasetron
C17H20ClN3O3 (349.11931200000004)
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
Erucifoline
A pyrrolizine alkaloid that is produced by several Jacobaea species and displays toxicity towards insect herbivores. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2300 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 174 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 164 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 154 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 144 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 134 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 124 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 114 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 104
Metazachlor-sulfinyl-acetic acid BH 479-9
C16H19N3O4S (349.10962140000004)
N-Acetyldemethylphosphinothricin tripeptide
C12H20N3O7P (349.10388200000006)
3-[2-(1,1-Dimethyl-2-propenyl)-1H-indole-3-ylmethyl]-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
jacozine
A pyrrolizine alkaloid that is seneciphylline in which the exocyclic double bond has been converted to the corresponding epoxide.
1-Methoxy-2-hydroxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-13(12H)-one
C20H15NO5 (349.09501800000004)
19-(alpha-Methyl)-18-deoxy-15,22-dihydro-3-iso-cadamin|5-methyl-3,5,7,8,13,13b,14,14a-octahydro-indolo[2,3:3,4]pyrido[1,2-b][2,7]naphthyridine-1-carboxylic acid methyl ester
9-O-acetyl-2-deoxy-N-glycoloyl-2,3-didehydroneuraminic acid
2-(2-amino-beta-D-2-deoxy-gulopyranosylamino)-5-(2-amino-1-hydroxy-ethyl)-4,5-dihydro-1H-imidazole-4-carboxylic acid
3,6-bismethylthio-cyclo(alanyltryptophyl)
C16H19N3O2S2 (349.09186339999997)
2-hydroxy-3-methoxy-12-methyl-12h-[1,3]dioxolo [4,5:4,5]benzo[1,2-c]-phenanthridin-13-one
C20H15NO5 (349.09501800000004)
2-[6-(1,3-Benzodioxole-5-yl)hexyl]-4(1H)-quinolinone
C22H23NO3 (349.16778480000005)
14beta,141-epoxy-15-hydroxy-14alpha-methyl-(15alphaH)-15,20-dihydro-21-nor-senecion-12(18)-ene-11,16-dione|Swazine
(+)-7-bromotrypargine|7-bromotrypargine
C15H20BrN5 (349.09019800000004)
Riddelliine
Riddelline is a colorless to off-white crystalline solid. Starts turning brown at approximately 329 °F; is blackish-brown at melting point. (NTP, 1992) Riddelliine is a macrodiolide that is 13,19-didehydrosenecionan bearing two additional hydroxy substituents at positions 12 and 18 as well as two additional oxo groups at positions 11 and 16. It has a role as a genotoxin, a mutagen and a carcinogenic agent. It is a pyrrolizine alkaloid, an organic heterotricyclic compound, an olefinic compound and a macrodiolide. It is functionally related to a senecionan. Riddelliine is a natural product found in Senecio aegyptius, Senecio glaucus, and other organisms with data available. A macrodiolide that is 13,19-didehydrosenecionan bearing two additional hydroxy substituents at positions 12 and 18 as well as two additional oxo groups at positions 11 and 16.
Norisoboldine hydrochloride
C18H20ClNO4 (349.1080790000001)
Laurolitsine hydrochloride
C18H20ClNO4 (349.1080790000001)
Erucifoline
CID 6442624 is a natural product found in Jacobaea aquatica with data available.
Ampicillin
C16H19N3O4S (349.10962140000004)
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
Metazachlor BH 479-9
C16H19N3O4S (349.10962140000004)
CONFIDENCE standard compound; INTERNAL_ID 2649
12,13-dehydroprolyl-2-(1,1-dimethylallyltryptophyl)diketopiperazine
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
ETHYL 2-(BENZOYL-3-CHLORO-4-FLUOROANILINO)PROPANOATE
C18H17ClFNO3 (349.08809340000005)
(4-(N-Ethyl-N-(4-methoxybenzyl)sulfamoyl)phenyl)boronic acid
C16H20BNO5S (349.11551800000007)
(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
METHYL 3-CYCLOHEXYL-2-(2-HYDROXYPHENYL)-1H-INDOLE-6-CARBOXYLATE
C22H23NO3 (349.16778480000005)
2-Amino-4,5-bis(2-methoxyethoxy)benzoic acid ethyl ester hydrochloride
N7-(4-METHOXYPHENYL)-N2-PHENYLTHIAZOLO[5,4-D]PYRIMIDINE-2,7-DIAMINE
C18H15N5OS (349.09972600000003)
2-AMINO-1-BENZYL-4,5-DIPHENYL-1H-PYRROLE-3-CARBONITRILE
4,6-Diamidino-2-phenylindole dihydrochloride
C16H17Cl2N5 (349.08609420000005)
Resminostat
C16H19N3O4S (349.10962140000004)
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
1-BOC-4-(4-AMINOPHENYL)PIPERAZINE DIHYDROCHLORIDE
C15H25Cl2N3O2 (349.13237300000003)
(-)-(1s,4r)-n-fmoc-4-aminocyclopent-2-enecarboxylic acid
(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
C19H15N3O4 (349.10625100000004)
(2S,3R)-N-TERT-BUTOXYCARBONYL-3-BENZOYLOXY-2-PYRROLIDINECARBOXYLICACIDMETHYLESTER
[R-(R*,S*)]-3-[(2-hydroxy-1-methyl-2-phenylethyl)amino]-3-methoxypropiophenone hydrochloride
C19H24ClNO3 (349.14446240000007)
(S)-2-BENZYL-3-(BENZYLOXY)-3-OXOPROPANE-1-SULFONIC ACID
C17H19NO5S (349.09838840000003)
R 138727
3,8-Diamino-5-ethyl-6-phenylphenanthridinium chl
C21H20ClN3 (349.13456700000006)
2-CYCLOHEXYL-1-OXO-3-PHENYL-1,2,3,4-TETRAHYDRO-4-ISOQUINOLINECARBOXYLIC ACID
C22H23NO3 (349.16778480000005)
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
C19H15N3O4 (349.10625100000004)
4-CYCLOHEXYL-5-(3,4,5-TRIMETHOXY-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL
(4-PIPERAZIN-1-YL-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER DIHYDROCHLORIDE
C15H25Cl2N3O2 (349.13237300000003)
DIETHYL 2-(1-(4-ACETAMIDOPHENYL)-1-OXOPROPAN-2-YL)MALONATE
Dimethachlor Metabolite SYN 528702 sodium salt
C15H20NNaO5S (349.09598300000005)
3-(4-Ethoxy-3-methoxy-phenyl)-3-[(thiophene-2-carbonyl)-amino]-propionic acid
C17H19NO5S (349.09838840000003)
(1S,3R)-1-(1,3-Benzodioxol-5-yl)-N-methyl-2,3,4,9-tetrahydro-1H-β-carboline-3-carboxamide
1-(4-Propylphenyl)-2,5-di(2-thienyl)-1H-pyrrole
C21H19NS2 (349.09588540000004)
Boronic acid, B-[4-[bis(4-methoxyphenyl)amino]phenyl]-
C20H20BNO4 (349.14853100000005)
4-[4-(BENZYLOXY)PHENYL]-5-(2-FURYL)-4H-1,2,4-TRIAZOLE-3-THIOL
tert-butyl 4-(4-aMinophenyl)piperazine-1-carboxylate dihydrochloride
C15H25Cl2N3O2 (349.13237300000003)
Cyclobutanemethanamine, 1-(3,4-dichlorophenyl)-N,N-dimethyl-α-(2-methylpropyl)-, hydrochloride ()
C17H26Cl3N (349.11307260000007)
Beryllium bis[2-(2-pyridinyl)phenolate]
C22H16BeN2O2 (349.13335459999996)
N6-Cyclohexyladenosine
C16H23N5O4 (349.17499580000003)
N6-Cyclohexyladenosine is a selective adenosine A1 receptor agonist (EC50 = 8.2 nM). N6-Cyclohexyladenosine is a selective adenosine A1 receptor agonist (EC50 = 8.2 nM).
2-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-nitrobenzoic acid ethyl ester
3-{[(4-Methylphenyl)sulfonyl]amino}propyl pyridin-4-ylcarbamate
C16H19N3O4S (349.10962140000004)
(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
C19H24ClNO3 (349.14446240000007)
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.
PAPP
C19H22F3N3 (349.17657280000003)
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists LY 165163 is a potent 5-HT presynaptic receptor agonist. LY 165163 significantly decreases 5-HTP accumulation and increases DOPA accumulation in the cortex and striatum[1].
5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzenesulfonamide
2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-(3-methylphenyl)acetamide
Oxayohimbanium, 3,4,5,6,16,17-hexadehydro-16-(methoxycarbonyl)-19-methyl-, (19alpha,20alpha)-
C21H21N2O3+ (349.15520960000003)
3-(2-Oxolanylmethylthio)-5,6-diphenyl-1,2,4-triazine
C20H19N3OS (349.12487640000006)
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
C16H19N3O4S (349.10962140000004)
(E)-N-(furan-2-ylmethyl)-2-(3,4,5-trimethoxybenzylidene)hydrazinecarbothioamide
C16H19N3O4S (349.10962140000004)
2-[[5-(4-Ethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-1-(4-morpholinyl)ethanone
C16H19N3O4S (349.10962140000004)
4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide
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
C19H16ClN5 (349.10941660000003)
3,8,9-Trimethoxy-5-methylbenzo[c]phenanthridin-2-one
estrone 3-sulfate
C18H21O5S- (349.11096360000005)
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
C16H19N3O4S (349.10962140000004)
(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
C16H19N3O4S (349.10962140000004)
[(3S)-3-acetamido-4-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-4-oxobutyl]-oxido-oxophosphanium
C12H20N3O7P (349.10388200000006)
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
(4E)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
N-(4-methoxyphenyl)-2-(phenylmethylthio)benzamide
C21H19NO2S (349.11364340000006)
{[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide
Cathestatin A
C17H23N3O5 (349.16376280000003)
A dicarboxylic acid monoamide obtained by the formal condensation of the carboxylic group of oxirane-2,3-dicarboxylic acid with the amino group of N-(4-aminobutyl)-L-phenylalaninamide (the 2S,3S stereoisomer). An antibiotic isolated from the fermentation broth of Penicillium citrinum, it acts as a potent inhibitor of cysteine protease.
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
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
C18H20ClNO2S (349.0903210000001)
3-(5-chloro-2-methylphenyl)-6-(2,6-dimethyl-4-morpholinyl)-1H-pyrimidine-2,4-dione
C17H20ClN3O3 (349.11931200000004)
2-(2-Methoxyphenyl)-5-[2-(4-methoxyphenyl)ethylamino]-4-oxazolecarbonitrile
N-(2-methoxyphenyl)-2-phenyl-2-(phenylthio)acetamide
C21H19NO2S (349.11364340000006)
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
C20H19N3OS (349.12487640000006)
N-{(E)-[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-phenylacetohydrazide
C19H15N3O4 (349.10625100000004)
N-(2-furylmethylene)-2-(10H-phenothiazin-10-yl)acetohydrazide
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
1-(2-methylphenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea
C21H23N3S (349.16125980000004)
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
6-(2-chlorophenyl)-N-(2-furanylmethyl)-N-methyl-4-quinazolinamine
N-[(2-hydroxy-1-naphthalenyl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
C22H23NO3 (349.16778480000005)
N-{(1E)-[4-(methylthio)phenyl]methylene}-2-(2-naphthylamino)acetohydrazide
C20H19N3OS (349.12487640000006)
N-naphthalen-2-yl-2-[(E)-(3-nitrophenyl)methylideneamino]oxyacetamide
C19H15N3O4 (349.10625100000004)
(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
C19H24ClNO3 (349.14446240000007)
2-(4-(Tert-butyl)benzamido)-4-chloro-5-fluorobenzoic acid
C18H17ClFNO3 (349.08809340000005)
(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
C17H20FN3O2S (349.12601920000003)
3-(2-Chloro-7-hydroxy-10-phenothiazinyl)propyl-trimethylammonium
C18H22ClN2OS+ (349.11412920000004)
(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
(9E)-9-ethylidene-7-(hydroxymethyl)-5-methyl-3,6,11-trioxa-15-azatetracyclo[10.5.1.05,7.015,18]octadec-1(17)-ene-4,10-dione
N-Acetylglycylphenylalanylalanine methyl ester
C17H23N3O5 (349.16376280000003)
N-Acetylalanylphenylalanylglycine methyl ester
C17H23N3O5 (349.16376280000003)
2-Ethoxycarbonyl-3,4-dimethoxycarbonyl-1-methyl-5-phenylpyrrolidine (2,3-trans-3,4,5-cis)
2-Ethoxycarbonyl-3,4-dimethoxycarbonyl-1-methyl-5-phenylpyrrolidine (2,3,5-cis-4,5-trans)
N-Acetyl-alanyl-phenylalanyl-glycine methylester
C17H23N3O5 (349.16376280000003)
Fenpropathrin
C22H23NO3 (349.16778480000005)
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins
Cefradine
C16H19N3O4S (349.10962140000004)
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
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
C17H20FN3O4 (349.14377720000005)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
2-[6-(Cyclohexylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
C16H23N5O4 (349.17499580000003)
estrone 3-sulfate(1-)
C18H21O5S (349.11096360000005)
The conjugate base of estrone 3-sulfate; major species at pH 7.3.
alstonine(1+)
C21H21N2O3 (349.15520960000003)
An organic cation resulting from the protonation of the carbonilide moiety of alstonine. The major microspecies at pH 7.3.
serpentine(1+)
C21H21N2O3 (349.15520960000003)
An organic cation that is the conjugate acid of serpentine. It is the 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)
C18H20ClNO4 (349.1080790000001)
Laurolitsine hydrochloride is an alkaloid isolated from Phoebe formosana, and shows weak anti-inflammatory activity.
Laurolitsine (hydrochloride)
C18H20ClNO4 (349.1080790000001)
Laurolitsine hydrochloride is an alkaloid isolated from Phoebe formosana, and shows weak anti-inflammatory activity.
ML289
C22H23NO3 (349.16778480000005)
ML289 (VU0463597) is a potent, selective, and CNS-penetrant mGlu3 (IC50=0.66 μM) negative allosteric modulator. ML289 displays >15-fold selectivity over mGlu2 and is inactive against mGlu5[1]. ML289 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Sirtuin modulator 2
Sirtuin modulator 2 (Compound 132) is a sirtuin modulator with an ED50 equal or less than 50 μM[1].