Exact Mass: 369.0998
Exact Mass Matches: 369.0998
Found 355 metabolites which its exact mass value is equals to given mass value 369.0998,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
fleroxacin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones 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
6-Hydroxyprotopine
A dibenzazecine alkaloid that is protopine bearing a hydroxy substituent at the 6-position.
ARQ-197
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
lansoprazole
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; EAWAG_UCHEM_ID 3137 Lansoprazole (AG 1749) is an orally active proton pump inhibitor which prevents the stomach from producing acid. Lansoprazole (AG 1749) is a potent brain penetrant neutral sphingomyelinase (N-SMase) inhibitor (exosome inhibitor)[1][2].
Lansoprazole
Lansoprazole is a proton pump inhibitor similar to omeprazole which prevents the stomach from producing acid. Lansoprazoles plasma elimination half-life is not proportional to the duration of the drugs effects (i.e. gastric acid suppression). The plasma elimination half-life is 1.5 hours or less, and the effects of the drug last for over 24 hours after it has been given for 5 days or more. [HMDB] Lansoprazole is a proton pump inhibitor similar to omeprazole which prevents the stomach from producing acid. Lansoprazoles plasma elimination half-life is not proportional to the duration of the drugs effects (i.e. gastric acid suppression). The plasma elimination half-life is 1.5 hours or less, and the effects of the drug last for over 24 hours after it has been given for 5 days or more. A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Lansoprazole (AG 1749) is an orally active proton pump inhibitor which prevents the stomach from producing acid. Lansoprazole (AG 1749) is a potent brain penetrant neutral sphingomyelinase (N-SMase) inhibitor (exosome inhibitor)[1][2].
Ochratoxin B
Ochratoxin B is a metabolite of Aspergillus ochraceu
Niazicinin
Niazicinin is a glucosinolate and a naturally occurring carbamate. It has been isolated from the leaves of Moringa oleifera (horseradish tree). It is found in fats and oils, herbs and spices, and green vegetables. The trans rotamer is named niazicinin A.
Isorheagenine
Rhoeagenine is an alkaloid from Papaver rhoeas (corn poppy
N-Deisopropyl-fluvastatin
N-Deisopropyl-fluvastatin is only found in individuals that have used or taken Fluvastatin. N-Deisopropyl-fluvastatin is a metabolite of Fluvastatin. N-deisopropyl-fluvastatin belongs to the family of Indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
Tripamide
Tripamide belongs to the family of Aromatic Monoterpenes. These are monoterpenes containing at least one aromatic ring. D045283 - Natriuretic Agents > D004232 - Diuretics > D049994 - Sodium Potassium Chloride Symporter Inhibitors D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D049990 - Membrane Transport Modulators
6-Hydroxy-R-acenocoumarol
6-Hydroxy-R-acenocoumarol is a metabolite of acenocoumarol. Acenocoumarol is an anticoagulant that functions as a vitamin K antagonist. It is a derivative of coumarin and is marketed under the brand names Sintrom and Sinthrome. (Wikipedia)
7-Hydroxy-R-acenocoumarol
7-Hydroxy-R-acenocoumarol is a metabolite of acenocoumarol. Acenocoumarol is an anticoagulant that functions as a vitamin K antagonist. It is a derivative of coumarin and is marketed under the brand names Sintrom and Sinthrome. (Wikipedia)
8-Hydroxy-R-acenocoumarol
8-Hydroxy-R-acenocoumarol is a metabolite of acenocoumarol. Acenocoumarol is an anticoagulant that functions as a vitamin K antagonist. It is a derivative of coumarin and is marketed under the brand names Sintrom and Sinthrome. (Wikipedia)
2-Chloro-N6-cyclopentyladenosine
Etofenamate
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
2-[5-Methoxy-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]propanoic acid
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
Chloro-{methyl-[1-(2-methyl-5,6-dihydro-[1,4]oxathiin-3-yl)-methanoyl]-amino}-benzoic acid, isopropyl ester
6-methylthiohexyldesulfoglucosinolate
6-methylthiohexyldesulfoglucosinolate is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 6-methylthiohexyldesulfoglucosinolate can be found in a number of food items such as quinoa, chinese mustard, sweet basil, and green bean, which makes 6-methylthiohexyldesulfoglucosinolate a potential biomarker for the consumption of these food products.
5,6,7,7a-Tetrahydro-10-hydroxy-11-methoxy-8H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline-7-carboxylic acid methyl ester
O1-(2-Thienylcarbonyl)-3-[(2-pyridylthio)methyl]benzene-1-carbohydroximamide
2-[2-chloro-6-(cyclopentylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
(-)-O7-demethyl-adlumine|(R)-6-((R)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydro-isoquinolin-1-yl)-6H-furo[3,4:3,4]benzo[1,2-d][1,3]dioxol-8-one|severcine|Severtzin|severtzine
((4,5-dichloro-1H-pyrrol-2-yl)-[2,4-dihydroxy-3-((S)-4-methylhexyl)phenyl]methanone)
(3R)-3-(5,8-dihydroxy-6-methoxy-2-methyl-4-oxo-4H-naphtho[2,3-b]pyran-10-yl)pyrrolidine-2,5-dione|(R)-10-(3-succinimidyl)-TMC-256A1
1,8-dihydroxy-6-(hydroxymethyl)-3-methoxy-2-(pyrrolidinium-2-yl) anthraquinone
Lycoramine HBr
fleroxacin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones 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
4-[2-[[2,3-dihydroxy-2-(1-hydroxyethyl)butanoyl]oxymethyl]anilino]-4-oxobutanoic acid
4-[2-[[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-4-oxobutanoic acid
ccpa
CCPA (2-Chloro-N6-cyclopentyladenosine) is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
OCHRATOXIN B
A phenylalanine derivative resulting from the formal condensation of the amino group of L-phenylalanine with the carboxy group of (3R)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid. Ochratoxin B differs from the more naturally abundant ochratoxin A in the absence of the dihydroisocoumarin chlorine atom. It has cytotoxic effects on kidney and liver cells in vitro but only minor effects in vivo, due to its rapid metabolism and excretion. It inhibits cell proliferation of human liver HepG2 cells at doses as low as 1 mug/ ml but lacks the genotoxic activity of ochratoxin A, even at higher concentrations. D009676 - Noxae > D011042 - Poisons > D009793 - Ochratoxins D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Penicillium verrucosum
4-[2-[[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-4-oxobutanoic acid [IIN-based: Match]
4-[2-[[(3S)-2,3-dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-4-oxobutanoic acid [IIN-based on: CCMSLIB00000848675]
4-Pyridinol, 2-[[[5-(difluoromethoxy)-1H-benzimidazol-2-yl]sulfinyl]methyl]-3-methoxy-
(3R,5S,6E)-rel-7-[3-(4-fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxy-6-Heptenoic acid
2H-1-Benzopyran-2-one, 4,8-dihydroxy-3-[(1S)-1-(4-nitrophenyl)-3-oxobutyl]- (Acenocoumarol metaboli
2H-1-Benzopyran-2-one, 4,7-dihydroxy-3-[(1S)-1-(4-nitrophenyl)-3-oxobutyl]- (Acenocoumarol metabolit
Homapin
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03B - Belladonna and derivatives, plain > A03BB - Belladonna alkaloids, semisynthetic, quaternary ammonium compounds Homatropine methylbromide (Homatropine methobromide) is muscarinic AChR antagonist, inhibits endothelial and smooth muscle muscarinic receptors of WKY-E and SHR-E with IC50 of 162.5 nM and 170.3 nM, respectively.
Isorheagenine
Normonal
D045283 - Natriuretic Agents > D004232 - Diuretics > D049994 - Sodium Potassium Chloride Symporter Inhibitors D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D049990 - Membrane Transport Modulators
3-C-[({2-[(3-Carboxypropanoyl)amino]benzyl}oxy)carbonyl]-1,5-dideoxypentitol
3-C-[({2-[(3-Carboxypropanoyl)amino]benzyl}oxy)carbonyl]-1,5-dideoxy-L-arabinitol
methyl 4-[2-[4-(5-methyl-2-benzoxazolyl)phenyl]vinyl]benzoate
Acetamide, 2-[[2-(4-fluorophenyl)-7-methyl-4-quinazolinyl]thio]-N-(1-methylethyl)- (9CI)
[4-(4-chloro-phenyl)-piperazin-1-yl]-(1h-indol-2-yl)-acetic acid
(r,r)-7-amino-3-(1-methylpyrrolidinio)methyl-3-cephem-4-carboxylate hcl
2-{[1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL]SULFONYL}BENZOICACID
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-(15N)glutamic acid
(2-((4-FLUORO-3-(TRIFLUOROMETHYL)PHENYL)AMINO)-4-(PYRIDIN-4-YL)THIAZOL-5-YL)METHANOL
2,5-Pyrrolidinedione, 3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-, (3S,4S)
alpha,alpha-bis[4-(dimethylamino)phenyl]-4-(ethylamino)naphthalene-1-methanol
4-(4-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
Gallium,tris(2,4-pentanedionato-kO,kO)-, (OC-6-11)- (9CI)
Dimethyl 4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyri dinedicarboxylate
sodium 4-[(4-chlorobenzoyl)(4-methoxyphenyl)amino]butyrate
SDZ 220-581
SDZ 220-581 is an orally active, potent, competitive NMDA receptor antagonist with pKi value of 7.7[1].
4-(TERT-BUTOXYCARBONYLAMINO)-1-[(6-BROMOPYRIDIN-2-YL)METHYL]PIPERIDINE
8,14-Dihydro-14-methyl-11-(trifluoromethyl)-indolo[2,3:3,4]pyrido[2,1-b]quinazolin-5(7H)-one
(5-Bromo-1-pentyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
4-(2-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
5-azido-1,3-dimethyl-6-nitro-8-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
Dextromethorphan Hydrobromide Monohydrate
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents
ETHYL 5-HYDROXY-8-(2-METHOXYETHYL)-7-OXO-2-PHENYL-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
ethyl 4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carboxylate
N-[6-(1H-indazol-5-yl)naphthalen-2-yl]thiophene-2-carboxamide
N-[6-(1H-indazol-4-yl)naphthalen-2-yl]thiophene-3-carboxamide
N-[6-(1H-indazol-5-yl)naphthalen-2-yl]thiophene-3-carboxamide
8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
Thiazolidine, 2-(4-methylphenyl)-3-(1-naphthalenylsulfonyl)- (9CI)
Thiazolidine, 2-(4-methylphenyl)-3-(2-naphthalenylsulfonyl)- (9CI)
ADX-47273
ADX-47273 is a potent, selective and brain-penetrant mGluR5 positive allosteric modulator (PAM), with an EC50 of 0.17 μM for potentiation of glutamate (50 nM) response. ADX-47273 has antipsychotic and procognitive activities[1][2].
4-(6-acetyl-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidin-5-yl)benzoic acid
3-(Methylsulfonyl)-L-phenylalanine phenylmethyl ester hydrochloride
1,1,2,3-tetramethyl-1H-benzo[e]indolium hexafluorophosphate(V)
(Z)-2-(2-aMinothiazol-4-yl)-2-(hydroxyiMino)-N-((5-Methyl-7-oxo-2,4,5,7-tetrahydro-1H-furo[3,4-d][1,3]thiazin-2-yl)Methyl)acetaMide
2-(2,4-dihydroxyphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
4-[3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZENESULFONYL]-THIOMORPHOLINE
tert-butyl 4-[(4-bromophenyl)methoxy]piperidine-1-carboxylate
Dexlansoprazole
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BC - Proton pump inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors (R)-Lansoprazole is the R enantiomer of Lansoprazole, Lansoprazole (AG 1749) is an orally active proton pump inhibitor which prevents the stomach from producing acid. Lansoprazole (AG 1749) is a potent brain penetrant neutral sphingomyelinase (N-SMase) inhibitor (exosome inhibitor)[1][2].
1-(anthracen-9-ylmethyl)-4-(2-chlorophenyl)triazole
Deudextromethorphan hydrobromide
C78272 - Agent Affecting Nervous System
2-[(8-Hydroxy-3-methyl-1-oxoisochroman-7-carbonyl)amino]-3-phenylpropionic acid
(2,5-dioxopyrrolidin-3-yl) N-[(4-methoxyphenyl)methyl]-N-phenylcarbamimidothioate
6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
N-(4-{2-[(3-Chlorobenzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide
5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
N-(4-(5-((1H-Benzimidazol-2-ylamino)methyl)-2-thienyl)-1,3-thiazol-2-YL)guanidine
2-{5-[Amino(iminio)methyl]-6-chloro-1H-indol-2-YL}-6-(cyclopentyloxy)benzenolate
Homatropine Methylbromide
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03B - Belladonna and derivatives, plain > A03BB - Belladonna alkaloids, semisynthetic, quaternary ammonium compounds C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent Homatropine methylbromide (Homatropine methobromide) is muscarinic AChR antagonist, inhibits endothelial and smooth muscle muscarinic receptors of WKY-E and SHR-E with IC50 of 162.5 nM and 170.3 nM, respectively.
Etofenamate
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
N-(pyridin-4-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]pyridin-4-amine
(2E)-3-[(2R,3R)-3-formyl-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate
(2E)-3-[(2S,3S)-3-formyl-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate
2-[2-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]acetic acid
2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-hydroxy-5-phosphonopentanoic acid
2-[2-oxo-3-[(2S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indol-3-yl]acetic acid
Tripamide
D045283 - Natriuretic Agents > D004232 - Diuretics > D049994 - Sodium Potassium Chloride Symporter Inhibitors D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic D049990 - Membrane Transport Modulators
Norsolorinate(1-)
An organic anion obtained by selective deprotonation of the 2-hydroxy group of norsolorinic acid.
6-(1,3-benzodioxol-5-yl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine
N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-methylbenzamide
2-[(5-butyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-sulfamoylphenyl)acetamide
N-(2,4-dimethylphenyl)sulfonyl-2-(1-naphthalenyloxy)acetamide
2-[[1-oxo-2-[[5-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]thio]ethyl]amino]benzoic acid methyl ester
4-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-1-piperazinecarboxylic acid ethyl ester
9-Methoxy-6-[(4-methoxyphenyl)methyl]indolo[3,2-b]quinoxaline
(E)-3-[5-(4-Acetyl-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid
Isopropyl (3-oxo-1-{[(2-thienylcarbonyl)amino]carbonothioyl}-2-piperazinyl)acetate
N4-(4-Fluorophenyl)-N5-(2-nitrophenyl)-1H-imidazole-4,5-dicarboxamide
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-quinolinecarboxamide
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-quinolinecarboxamide
5-(4-Fluorophenyl)sulfonyl-1-(2-methylpropyl)-4-nitro-2-propan-2-ylimidazole
2-[[[1-(2-Methoxy-5-methylphenyl)-5-tetrazolyl]thio]methyl]-1,3-benzothiazole
5-[(2-Chlorophenyl)methylamino]-2-(3,4-dimethoxyphenyl)-4-oxazolecarbonitrile
N-{[3-(4-chlorophenyl)-1H-pyrazol-4-yl]methylene}-4-nitrobenzohydrazide
2-[2-(3-Cyano-4-methoxymethyl-6-methyl-2-oxo-2H-pyridin-1-yl)-acetylamino]-benzoic acid methyl ester
2-[[5-[(2-Methyl-8-quinolinyl)oxymethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide
3-(2-furyl)-N-({[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}carbonothioyl)acrylamide
5-[[2-(Diethylamino)-9-methyl-4-oxo-3-pyrido[1,2-a]pyrimidinyl]methylidene]-1,3-diazinane-2,4,6-trione
N-(2-methoxy-5-methylphenyl)-2-[[1-(phenylmethyl)-5-tetrazolyl]thio]acetamide
2-(benzotriazol-1-yl)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(4-methylphenyl)-2-pyrrolidinecarboxamide
(4Z)-4-[(3-methoxyphenyl)methylidene]-2-(3-methylphenyl)isoquinoline-1,3-dione
2-(3,4-dimethoxyphenyl)-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide
4-[(Z)-N-anilino-C-(quinolin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol
4-[2-[[(3S)-2,3-Dihydroxy-2-[(1S)-1-hydroxyethyl]butanoyl]oxymethyl]anilino]-4-oxobutanoic acid
5-(dimethylamino)-N-(4-nitrosobenzyl)naphthalene-1-sulfonamide
6-(Methylthio)hexyldesulfoglucosinolate
An omega-(methylsulfany)alkyl desulfoglucosinolate in which the omega-(methylsulfanyl)alkyl group is specified as 6-(methylsulfanyl)hexyl.
8-{[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio}-9H-purin-6-amine
Erdasporine A
A organic heterohexacyclic compound that is 12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole in which the hydrogens at positions 5 and 10 are substituted by a methoxycarbonyl and hydroxy groups, respectively. It is synthesized by a gene cluster found in environmental DNA and exhibits cytotoxic activity against human HCT116 cancer cells and Staphylococcus aureus.
Erdasporine C
An organic heterohexacyclic compound that is 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole in which the hydrogens at positions 5 and 7 are substituted by a methoxycarbonyl and oxo groups, respectively. It is synthesized by a gene cluster found in environmental DNA and exhibits cytotoxic activity against human HCT116 cancer cells and Staphylococcus aureus.
(E)-N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
Carbonic acid [4-[2-(ethoxycarbonylamino)ethyl]-2-ethoxycarbonyloxyphenyl] ethyl ester
2-Hydroxy-2,2-di(1-hydroxyethyl)acetic acid 2-(4-hydroxy-4-oxobutanoylamino)benzyl ester
8-Trimethylsilyl-1-(methyl(1-naphthyl)silyl)naphthalene
(-)-DCA-CL(1-)
A monocarboxylic acid anion that is the conjugate base of (-)-DCA-CL, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(+)-DCA-CL(1-)
A monocarboxylic acid anion that is the conjugate base of (+)-DCA-CL, obtained by deprotonation of the carboxy group; major species at pH 7.3.
7-hydroxy-2-oxindole-3-acetic acid beta-D-glucoside
A member of the class of oxindoles that is 7-hydroxy-2-oxindole-3-acetic acid in which the phenolic hydrogen has been replaced by a beta-D-glucosyl residue.
(R)-ADX-47273
(R)-ADX-47273 is a potent mGluR5 positive allosteric modulator, with an EC50 of 168 nM for potentiation .
MMPIP (hydrochloride)
MMPIP hydrochloride is an allosteric metabotropic glutamate receptor 7 (mGluR7) selective antagonist (KB values 24 -30 nM). MMPIP hydrochloride acts as a pharmacological tool for elucidating the roles of mGluR7 on central nervous system functions. MMPIP hydrochloride alleviates pain and normalizes affective and cognitive behavior in neuropathic mice[1][2].
SMS2-IN-2
SMS2-IN-2 is a potent, highly selective and orally active sphingomyelin synthase 2 (SMS2) inhibitor, with IC50s of 100 nM and 56 μM for SMS2 and SMS1, respectively. Anti-chronic inflammatory activity[1].
α-NETA
α-NETA is a potent and noncompetitive choline acetyltransferase (ChA) inhibitor with an IC50 of 9 μM. α-NETA is a potent ALDH1A1 (IC50=0.04 μM) and chemokine-like receptor-1 (CMKLR1) antagonist. α-NETA weakly inhibits cholinesterase (ChE; IC50=84 μM) and acetylcholinesterase (AChE; IC50=300 μM). α-NETA has anti-cancer activity[1][2].
methyl (3s)-3-(1-{1-acetyl-9h-pyrido[3,4-b]indol-3-yl}-n-methylformamido)-3-hydroxypropanoate
(1s,14r,24s)-24-methoxy-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁸,²²]pentacosa-2,4(8),9,15,17,22-hexaene
(1r,14r,24s)-13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁸,²²]pentacosa-2,4(8),9,15(23),16,18(22)-hexaen-24-ol
n-{5-hydroxy-14-methoxy-6-oxo-16,18-dioxatetracyclo[10.7.0.0²,⁸.0¹⁵,¹⁹]nonadeca-1(12),2,4,7,13,15(19)-hexaen-9-yl}ethanimidic acid
1-chloro-n-[2-chloro-5-(3-chloro-2,2-dimethyl-6-methylidenecyclohexyl)-3-methylidenepentyl]methanecarbonimidoyl chloride
(7r,8r)-7',8-dihydroxy-6'-methoxy-2'-methyl-2,3',4',8-tetrahydrospiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-6-one
n-[(4-{[5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}phenyl)methyl]methoxycarboximidic acid
(1r,14s,24s)-13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁸,²²]pentacosa-2,4(8),9,15(23),16,18(22)-hexaen-24-ol
(2s)-2-({hydroxy[(3r)-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-7-yl]methylidene}amino)-3-phenylpropanoic acid
10-hydroxychelidonine
{"Ingredient_id": "HBIN000139","Ingredient_name": "10-hydroxychelidonine","Alias": "NA","Ingredient_formula": "C20H19NO6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15818","TCMID_id": "9902","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
119736-65-1
{"Ingredient_id": "HBIN000332","Ingredient_name": "119736-65-1","Alias": "(6S,8R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,8-dihydrofuro[4,3-g][1,3]benzodioxol-8-ol","Ingredient_formula": "C20H19NO6","Ingredient_Smile": "CN1CCC2=CC3=C(C=C2C1C4C5=C(C(O4)O)C6=C(C=C5)OCO6)OCO3","Ingredient_weight": "369.4 g/mol","OB_score": "6.44399211","CAS_id": "119736-65-1","SymMap_id": "SMIT03312","TCMID_id": "NA","TCMSP_id": "MOL000788","TCM_ID_id": "NA","PubChem_id": "189686","DrugBank_id": "NA"}
