Exact Mass: 365.1124
Exact Mass Matches: 365.1124
Found 411 metabolites which its exact mass value is equals to given mass value 365.1124,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Amoxicillin
Amoxicillin (International Nonproprietary Name), or amoxycillin (British Approved Name), is a moderate-spectrum, bacteriolytic, -lactam antibiotic used to treat bacterial infections caused by susceptible microorganisms. It is a broad-spectrum semisynthetic antibiotic similar to ampicillin except that its resistance to gastric acid permits higher serum levels with oral administration (PubChem). Amoxicillin is active against a wide range of Gram-positive and a limited range of Gram-negative organisms. It is susceptible to degradation by beta-lactamase-producing bacteria, and so may be given with clavulanic acid to increase its susceptibility. The incidence of beta-lactamase-producing resistant organisms, including E. coli, appears to be increasing. Amoxicillin binds to penicillin-binding protein 1A (PBP-1A) located inside the bacterial cell wall. Penicillins acylate the penicillin-sensitive transpeptidase C-terminal domain by opening the lactam ring. This inactivation of the enzyme prevents the formation of a cross-link of two linear peptidoglycan strands, inhibiting 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 amoxicillin interferes with an autolysin inhibitor. Amoxicillin is usually the drug of choice within the class because it is better absorbed, following oral administration, than other -lactam antibiotics. Amoxicillin in trihydrate form is available as capsules, chewable and dispersible tablets, syrup and pediatric suspension for oral use, and as the sodium salt for intravenous administration. It is one of the most common antibiotics prescribed for children, and the liquid forms are helpful in cases where the patient might find it difficult to take tablets or capsules. It has three ionizable groups. Amoxicillin as a once-daily dosing form (Moxatag) was approved by the American FDA in January 2008. Amoxicillin is one of the semi-synthetic penicillins discovered by Beecham scientists. The patent for amoxicillin has expired, thus amoxicillin is marketed under many trade names, including Actimoxi, Alphamox, AMK, Amoksibos, Amoxiclav Sandoz, Amoxidal, Amoxil, Amoxin, Amoksiklav, Amoxibiotic, Amoxicilina, Apo-Amoxi, Augmentin, Bactox, Betalaktam, Cilamox, Curam, Dedoxil, Dispermox, Duomox, E-Mox (250mg and 500 mg), Enhancin, Gimalxina, Geramox, Hiconcil, Isimoxin, Klavox, Lamoxy, Moxatag, Moxilen, Moxypen, Moxyvit, Nobactam, Novamoxin, Ospamox, Panklav, Pamoxicillin, Panamox, Polymox, Samthongcillin, Clamoxyl, Senox, Sinacilin, Trimox, Tolodina, Wymox, Yucla, Zerrsox, and Zimox. Amoxicillin is found in milk and milk products. It is a potential contaminant in cows milk arising from its veterinary use. 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 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
6-Methylpretetramide
A member of the class of pretetramides in which the only additional substituent is a methyl group at position 6.
Cefroxadine
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 Same as: D01528
Furo(3,4-b)pyridine-3-carboxylic acid, 1,4,5,7-tetrahydro-4-(2-(difluoromethoxy)phenyl)-2-methyl-5-oxo-, ethyl ester
D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents > D002120 - Calcium Channel Agonists D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators
2-S-glutathionyl acetate
2-S-glutathionyl acetate is also known as S-(Carboxymethyl)glutathione. 2-S-glutathionyl acetate is considered to be slightly soluble (in water) and acidic
Ondansetron hydrochloride
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 D003879 - Dermatologic Agents > D000982 - Antipruritics D002491 - Central Nervous System Agents
Cephalexin monohydrate
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
Propericiazine
Propericiazine is a phenothiazine of the piperidine group. It has been shown to reduce pathologic arousal and affective tension in some psychotic patients, while the symptoms of abnormal mental integration are relatively unaffected. It is a sedative phenothiazine with weak antipsychotic properties. It also has adrenolytic, anticholinergic, metabolic and endocrine effects and an action on the extrapyramidal system. It is used as an adjunctive medication in some psychotic patients, for the control of residual prevailing hostility, impulsiveness and aggressiveness. Pericyazine, like other phenothiazines, is presumed to act principally in the subcortical areas, by producing what has been described as a central adrenergic blockade. N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AC - Phenothiazines with piperidine structure C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Pericyazine (Propericiazine) is a first-generation antipsychotic agent that is used as an adjunct to the short-term management of severe anxiety states and psychosis[1]. Pericyazine is a selective D2-dopamine receptor antagonist[2][3]. Pericyazine has adrenolytic, anticholinergic, and extrapyramidal effects[4].
4beta-(2-Aminoethylthio)catechin
4beta-(2-Aminoethylthio)epicatechin is found in alcoholic beverages. 4beta-(2-Aminoethylthio)epicatechin is a constituent of Vitis vinifera (wine grape). Constituent of Vitis vinifera (wine grape). 4beta-(2-Aminoethylthio)catechin is found in alcoholic beverages and fruits.
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl- D-arabino-Hex-1-enitol is a natural oligosaccharide of human milk identified with an Mass-Spectrometry fragment spectral library (PMID: 16194087) [HMDB] 2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl- D-arabino-Hex-1-enitol is a natural oligosaccharide of human milk identified with an Mass-Spectrometry fragment spectral library (PMID: 16194087).
2-(acetylamino)-1,5-anhydro-2-deoxy-4-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol
2-(acetylamino)-1,5-anhydro-2-deoxy-4-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol is a natural oligosaccharide of human milk identified with an Mass-Spectrometry fragment spectral library (PMID: 16194087) [HMDB] 2-(acetylamino)-1,5-anhydro-2-deoxy-4-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol is a natural oligosaccharide of human milk identified with an Mass-Spectrometry fragment spectral library (PMID: 16194087).
Hydromorphone-3-sulphate
Hydromorphone-3-sulphate is a metabolite of hydromorphone. Hydromorphone, a more common synonym for dihydromorphinone, commonly a hydrochloride (brand names Palladone, Dilaudid, and numerous others) is a very potent centrally acting analgesic drug of the opioid class. It is a derivative of morphine, to be specific, a hydrogenated ketone thereof and, therefore, a semi-synthetic drug. It is, in medical terms, an opioid analgesic and, in legal terms, a narcotic. (Wikipedia)
UK-121,265
UK-121,265 is a metabolite of voriconazole. Voriconazole is a triazole antifungal medication that is generally used to treat serious, invasive fungal infections. These are generally seen in patients who are immunocompromised, and include invasive candidiasis, invasive aspergillosis, and certain emerging fungal infections. (Wikipedia)
4-Hydroxyvoriconazole
4-Hydroxyvoriconazole is a metabolite of voriconazole. Voriconazole is a triazole antifungal medication that is generally used to treat serious, invasive fungal infections. These are generally seen in patients who are immunocompromised, and include invasive candidiasis, invasive aspergillosis, and certain emerging fungal infections. (Wikipedia)
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
Potential contaminant in cows milk arising from its veterinary use
Ampicilloyl
4-Carbamothioylphenyl 2-(6-methoxynaphthalen-2-yl)propanoate
cefroxadine
Same as: D01528
Clinafloxacin
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
Morphine 3-Sulfate
Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, (5alpha,6alpha)-, 3-(hydrogen sulfate)
p38 MAP Kinase Inhibitor
Riddelliine N-oxide
cucoline
Sinomenine hydrochloride (Cucoline hydrochloride), an alkaloid extracted from?Sinomenium acutum, is a blocker of the NF-κB activation[1]. Sinomenine also is an activator of μ-opioid receptor[2]. Sinomenine hydrochloride (Cucoline hydrochloride), an alkaloid extracted from?Sinomenium acutum, is a blocker of the NF-κB activation[1]. Sinomenine also is an activator of μ-opioid receptor[2]. Sinomenine hydrochloride (Cucoline hydrochloride), an alkaloid extracted from?Sinomenium acutum, is a blocker of the NF-κB activation[1]. Sinomenine also is an activator of μ-opioid receptor[2].
cucoline
Sinomenine hydrochloride (Cucoline hydrochloride), an alkaloid extracted from?Sinomenium acutum, is a blocker of the NF-κB activation[1]. Sinomenine also is an activator of μ-opioid receptor[2]. Sinomenine hydrochloride (Cucoline hydrochloride), an alkaloid extracted from?Sinomenium acutum, is a blocker of the NF-κB activation[1]. Sinomenine also is an activator of μ-opioid receptor[2]. Sinomenine hydrochloride (Cucoline hydrochloride), an alkaloid extracted from?Sinomenium acutum, is a blocker of the NF-κB activation[1]. Sinomenine also is an activator of μ-opioid receptor[2].
7-(2-Hydroxy-3-chloroprenyloxy)-4,8-dimethoxyfuroquinoline
Formamide, N-(6-(6-hydroxy-1,3-benzodioxol-5-yl)naphtho(2,3-d)-1,3-dioxol-5-yl)-N-methyl-
Ethyl 2-({2-cyano-3-[(ethoxycarbonyl)amino]-3-oxoprop-1-enyl}amino)-4,5-dimethylthiophene-3-carboxylate
3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl acetate
L-gamma-Glutamyl-S-3-(1-hydroxypropyl)-L-cysteinyl-glycine
This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 16HP2005 to the Mass Spectrometry Society of Japan.
Erucifoline N-oxide
A pyrrolizine alkaloid that is erucifoline in which the tertiary amino function has been oxidised to the corresponding N-oxide. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2256
9-Hydroxy-5,8,9-trimethyl-2,7,11-trioxa-16-azatetracyclo[11.5.1.04,8.016,19]nonadec-13-ene-3,6,10-trione
4,8-Dimethoxy-7-(2-hydroxy-3-methyl-3-chlorobutyloxy)furo[2,3-b]quinoline
2-amino-5,8,5-trihydroxy-2,3,4-pentahydro-[4,3]-binaphthalene-1,1,4-trione
6-(5-Acetyl-1,3-benzodioxole-4-ylmethyl)-1,3-dioxolo[4,5-g]isoquinoline-5(6H)-one
lavendustin b
Lavendustin B is an inhibitor of HIV-1 integrase interaction with LEDGF/p75 with an IC50 of 94.07 μM. Lavendustin B is an ATP-competitive GLUT1 inhibitor with a Ki of 15 μM. Lavendustin B is also a weak inhibitor of tyrosine kinases[1][2].
4H-Benzo(de)(1,3)benzodioxolo(5,6-g)quinoline-4,5(6H)-dione,1,2-dimethoxy-6-methyl-
(E)-1-(L-cysteinylglycin-S-yl)-N-hydroxy-omega-(methylsulfanyl)octan-1-imine
Amoxicillin
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-(4-hydroxyphenyl)acetamido 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 Constituent of Panax notoginseng (sanchi). Notoginsenoside J is found in tea. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; LSQZJLSUYDQPKJ-NJBDSQKTSA-N_Amoxicillin_STSL_0201_Amoxicillin Trihydrate_2000fmol_180831_S2_L02M02_41; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. CONFIDENCE standard compound; EAWAG_UCHEM_ID 3083
Periciazine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AC - Phenothiazines with piperidine structure C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Pericyazine (Propericiazine) is a first-generation antipsychotic agent that is used as an adjunct to the short-term management of severe anxiety states and psychosis[1]. Pericyazine is a selective D2-dopamine receptor antagonist[2][3]. Pericyazine has adrenolytic, anticholinergic, and extrapyramidal effects[4].
2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol
2-(acetylamino)-1,5-anhydro-2-deoxy-4-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol
4b-(2-Aminoethylthio)catechin
6-([1,4]BIPIPERIDINYL-1-SULFONYL)-BENZOTRIAZOL-1-OL
tert-Butyl 4-(4-bromo-2-cyanophenyl)piperazine-1-carboxylate
N-[2-Hydroxy-2-(4-methoxyphenyl)ethyl]-2-(2-chloro-3,4-dimethoxyphenyl)ethylamine
2-Propanol, 1-((6-methoxy-9H-pyrido(3,4-b)indol-4-yl)oxy)-3-((1-methyl ethyl)amino)-, hydrochloride
2-(4-BOC-PIPERAZINYL)-2-(3-NITRO-PHENYL)ACETIC ACID
2-acetamido-2-deoxy-alpha-D-glucopyranosyl chloride 3,4,6-triacetate
Prexasertib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
S-1-Pyrrolidinecarboxylic acid, 2-(6-bromo-1H-benzimidazol-2-yl)-, 1,1-dimethyleth
1H-Indole,1-methyl-3-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-(9CI)
Urea, N-cyclopropyl-N-[(1,2-dihydro-6-methyl-2-oxo-3-quinolinyl)methyl]-N-(2-fluorophenyl)- (9CI)
CGP 53353
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
2-(5-Norborene-2,3-dicarboximido)-1,1,3,3-tetramethyluronium tetrafluoroborate
3-[(4-Chlorophenyl)thio]-1-(diphenylmethyl)azetidine
(S,E)-1-phenyl-N-(4-(trifluoromethyl)benzylidene)-2-(trimethylsilyloxy)ethanamine
Cloperastine hydrochloride
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
Benzyl (1R,2S)-3-chloro-2-hydroxy-1-(phenylthiomethyl)propylcarbamate
L-Cysteine,N-[(4-methylphenyl)sulfonyl]-S-(phenylmethyl)-
1-butyl-2,3,3-trimethylbenzo[e]indol-3-ium,perchlorate
1-(1-ANTHRACENYLMETHYL)-4-(3-METHOXYPHENYL)-1H-[1,2,3]TRIAZOLE
[10-[(4-phenyltriazol-1-yl)methyl]anthracen-9-yl]methanol
3-(TRIFLUOROMETHYL)[1,1-BIPHENYL]-4-SULFONYLCHLORIDE
4-N-MALEIMIDOMETHYLCYCLOHEXANE-1-CARBOXYLHYDRAZIDE
Paroxetine HCl
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators
Benzenesulfonic acid,3-[2-[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-4-hydroxy-
4-[(3-Methyl-1-benzothiophen-2-yl)methyl]-N-(3-pyridinyl)-1-piper idinecarboxamide
2-(4-BOC-PIPERAZINYL)-2-(2-NITRO-PHENYL)ACETIC ACID
(2R,3R)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2,3-butanediol methanesulfonate
1-[2-[(S)-(4-Chlorophenyl)phenylmethoxy]ethyl]piperidine hydrochloride
Itazigrel
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent C471 - Enzyme Inhibitor
Adenosine 5-monophosphate monohydrate
Adenosine 5'-monophosphate monohydrate is an adenosine A1 receptor agonist. Adenosine 5'-monophosphate monohydrate has significant antiviral activity against HSV-1 and HSV-2. Adenosine 5'-monophosphate monohydrate is an adenosine A1 receptor agonist. Adenosine 5'-monophosphate monohydrate has significant antiviral activity against HSV-1 and HSV-2. Adenosine 5'-monophosphate monohydrate is an adenosine A1 receptor agonist. Adenosine 5'-monophosphate monohydrate has significant antiviral activity against HSV-1 and HSV-2. Adenosine 5'-monophosphate monohydrate is an adenosine A1 receptor agonist. Adenosine 5'-monophosphate monohydrate has significant antiviral activity against HSV-1 and HSV-2.
4-[(3-Ethynylphenyl)amino]-6,7-bis(2-hydroxyethoxy)quinazoline
(S)-6,7-Dimethoxy-1-(4-(trifluoromethyl)phenethyl)-1,2,3,4-tetrahydroisoquinoline
1-Piperazinecarboxamide, N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-
JNJ-1661010 (Takeda-25) a potent and selective fatty acid amide hydrolase (FAAH) inhibitor with IC50s of 34 and 33 nM for rat FAAH and human FAAH, respectively. JNJ-1661010 can cross the blood-brain barrier and used as broad-spectrum analgesics[1][2].
3,3-Diethylthiacarbocyanine
D004396 - Coloring Agents > D002232 - Carbocyanines
Riddelliine N-oxide
A pyrrolizine alkaloid that is 13,19-didehydrosenecionane bearing two additional hydroxy substituents at positions 12 and 18, two additional oxo groups at positions 11 and 16 and an N-oxido substituent.
4-(4-Methylphenyl)sulfonyl-3-phenyl-2,3-dihydro-1,4-benzoxazine
methyl 9-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
N-(2-furanylmethyl)-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio]acetamide
N-[2-hydroxy-2-(indol-3-yl)-2-(methylthio)ethyl]indole-3-carboxamide
5-(5-Chloro-2,4-dihydroxyphenyl)-N-ethyl-4-piperazin-1-YL-1H-pyrazole-3-carboxamide
2-[4-chloro-2-(phenylcarbonyl)phenoxy]-N-phenylacetamide
2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine
5-Chloro-1H-indole-2-carboxylic acid{[cyclopentyl-(2-hydroxy-ethyl)-carbamoyl]-methyl}-amide
3-({[(3s)-3,4-Dihydroxybutyl]oxy}amino)-1h,2h-2,3-Biindol-2-One
(2z,3e)-2,3-Biindole-2,3(1h,1h)-Dione 3-{o-[(3r)-3,4-Dihydroxybutyl]oxime}
(2S,5R,6R)-6-[[(2R)-2-azaniumyl-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
8-Carboxy-2,4,6,9-tetrahydroxy-7-methyltetracen-5-olate
[(1S)-2-[2-[(2R)-2-amino-2-carboxyethyl]selanyl-1H-imidazol-5-yl]-1-carboxyethyl]-trimethylazanium
2-[[(2R)-2-amino-3-[(E)-N-hydroxy-C-(7-methylsulfanylheptyl)carbonimidoyl]sulfanylpropanoyl]amino]acetic acid
2-[1-[(2-Amino-2-phenylacetyl)amino]-2-oxopropyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
(4E)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methylidene-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzothiazol-3-ium
Cathestatin B
A carboxamide obtained by the formal condensation of the carboxylic group of oxirane-2,3-dicarboxylic acid with the amino group of N-(4-aminobutyl)-L-tyrosinamide (the 2S,3S stereoisomer). An antibiotic isolated from the fermentation broth of Penicillium citrinum, it acts as a potent inhibitor of cysteine protease.
4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
4-(4-Ethoxycarbonylanilino)-2-quinazolinecarboxylic acid ethyl ester
3-methyl-1-[2-(2H-tetrazol-5-yl)ethyl]-4,6-bis(trifluoromethyl)pyrazolo[3,4-b]pyridine
2-[(1-Methyl-3-indolyl)thio]-1-(4-phenyl-1-piperazinyl)ethanone
tetracenomycin F1(1-)
A hydroxy monocarboxylic acid anion that is the conjugate base of tetracenomycin F1, obtained by deprotonation of the carboxy group.
2-(2-bromo-4-tert-butylphenoxy)-N-(2-furanylmethyl)acetamide
6-(2-chlorophenyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine
N-(2-furanylmethyl)-2-(4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)acetamide
3-[[[1-(2,4-Dimethylphenyl)-5-tetrazolyl]thio]methyl]-1,2,3-benzotriazin-4-one
(2R,4S)-2-(3-((phenylcarbamoyl)methylcarbamoyl)propyl)-4-aminopentanedioic acid
N-[5-fluoro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-thiophenecarboxamide
4-(2,3-Dihydro-1,4-benzodioxin-3-ylmethylamino)-3-nitrobenzenesulfonamide
N-(4-acetamidophenyl)-4-(1,3-dioxo-2-isoindolyl)butanamide
5-(3,4-Dimethoxyphenyl)-2-phenyl-4-thieno[2,3-d][1,3]oxazinone
1-[(E)-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-3-ethylthiourea
5-(4-fluorophenyl)-N-[2-(1-piperidinyl)phenyl]-4-oxazolecarboxamide
1-[1-[(4-Fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-3-(phenylmethyl)urea
[[4-(Dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-fluorophenyl)methanol
2-(4-Bromo-3-methylphenyl)-4-[(3-methoxypropylamino)methylidene]-5-methyl-3-pyrazolone
1,5-dimethyl-4-oxo-N-[2-(3-thiophenyl)ethyl]-2-pyrrolo[3,2-c]quinolinecarboxamide
6-(3-chlorophenyl)-N-[(4-methyl-2-thiophenyl)methyl]-4-quinazolinamine
2-[6-(4-Chloro-phenyl)-1-methyl-4H-3-oxa-2,5-diaza-benzo[e]azulen-4-yl]-acetamide
jacozine N-oxide
A pyrrolizine alkaloid that is jacozine in which the tertiary amino function has been oxidised to the corresponding N-oxide.
(2R,3R,4R)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile
1-(2-Furanylmethyl)-4-[oxo(thiophen-2-yl)methyl]-5-phenylpyrrolidine-2,3-dione
(2R,3S,4S)-1-(5-ethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]azetidine-2-carbonitrile
(2R,3R,4S)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile
(2S,3R,4S)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile
(2R,3S,4R)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile
(2S,3R,4R)-1-(5-ethyl-1,3-thiazol-2-yl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]azetidine-2-carbonitrile
(2S,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-1-(4-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2R,3S,4R)-3-[4-(1-cyclopentenyl)phenyl]-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3S,4R)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile
(2S,3S,4S)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile
(2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-1-(4-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile
[(1S)-7-methoxy-2-methyl-1-methylsulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanol
N-[4-[2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]butanamide
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Ethyl 2-methyl-4,5-dioxo-1-phenyl-3-phenyldiazenylpyrrolidine-2-carboxylate
(5R,7S,9Z,12R,15R,18R)-9-ethylidene-7-(hydroxymethyl)-5-methyl-15-oxido-3,6,11-trioxa-15-azoniatetracyclo[10.5.1.05,7.015,18]octadec-1(17)-ene-4,10-dione
1,1-Dimethyl-4-trimethylsilyl-5-phenyl-3-(o-tolyl)-1,3-disila-4-cyclopentene
1,3,10,11,12-Pentahydroxy-6-methyltetracene-2-carboxamide
Clinafloxacin
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
Afizagabar
Afizagabar (S44819) is a first-in-class, competitive, and selective antagonist at the GABA-binding site of the α5-GABAAR, with an IC50 of 585 nM for α5β2γ2 and a Ki of 66 nM for α5β3γ2. Afizagabar enhances hippocampal synaptic plasticity and exhibits pro-cognitive efficacy[1].
Arecaidine but-2-ynyl ester (tosylate)
Arecaidine but-2-ynyl ester tosylate (ABET) is a selective mAChR M2 agonist that dose-dependently decreases mean arterial pressure and heart rate in rats. Arecaidine but-2-ynyl ester tosylate can be used for cardiovascular disease research[1][2]. Arecaidine but-2-ynyl ester (tosylate) is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
GYKI 52466 (dihydrochloride)
GYKI 52466 dihydrochloride is an orally active, highly selective and noncompetitive AMPA/kainate receptor antagonist with the IC50 values of 7.5 and 11μM, respectively. GYKI 52466 dihydrochloride has good blood brain barrier permeability and anticonvulsant effect. GYKI 52466 dihydrochloride can be used in Parkinson's disease research[1][2].
9-hydroxy-5,8,9-trimethyl-2,7,11-trioxa-16-azatetracyclo[11.5.1.0⁴,⁸.0¹⁶,¹⁹]nonadec-13-ene-3,6,10-trione
5-benzyl-7,10-dihydroxy-2-oxa-3,6,17-triazatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-6,11,13,15-tetraen-4-one
17,18,19-trimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁸.0¹⁶,²⁰]icosa-1(19),2,4(8),9,12(20),13,15,17-octaen-11-one
methyl 5-{3-hydroxy-9-oxo-1h,2h-pyrrolo[2,1-b]quinazolin-3-yl}-2-(methylamino)benzoate
5-(6-aminopurin-9-yl)-2-(carboxymethyl)-6-hydroxy-tetrahydro-3h-furo[3,2-b]furan-2-carboxylic acid
12-[2-(dimethylamino)ethyl]-14-methoxy-3,5,16-trioxapentacyclo[9.6.2.0²,⁶.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-1,6,8(18),9,11,13,15(19)-heptaen-17-one
(1r,14s,24r)-24,25-dimethyl-5,7,13,17,19-pentaoxa-25-azaheptacyclo[12.10.1.0²,¹⁰.0⁴,⁸.0¹²,²⁴.0¹⁵,²³.0¹⁶,²⁰]pentacosa-2,4(8),9,15,20,22-hexaene
11-acetyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-yl acetate
7,16,17-trimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8,10,12(20),14(19),15,17-octaen-13-one
(12r,13s)-11-acetyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-13-yl acetate
7-demethyl-6-methoxy-5,6-dihydrochelerythrine
{"Ingredient_id": "HBIN013156","Ingredient_name": "7-demethyl-6-methoxy-5,6-dihydrochelerythrine","Alias": "NA","Ingredient_formula": "C21H19NO5","Ingredient_Smile": "NA","Ingredient_weight": "365.38","OB_score": "30.74255792","CAS_id": "126234-22-8","SymMap_id": "SMIT06894","TCMID_id": "NA","TCMSP_id": "MOL005084","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-oxobaicaline
{"Ingredient_id": "HBIN013428","Ingredient_name": "7-oxobaicaline","Alias": "NA","Ingredient_formula": "C20H15NO6","Ingredient_Smile": "NA","Ingredient_weight": "365.34","OB_score": "36.09358329","CAS_id": "105418-66-4","SymMap_id": "SMIT10028","TCMID_id": "NA","TCMSP_id": "MOL008805","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
