Exact Mass: 315.0696
Exact Mass Matches: 315.0696
Found 334 metabolites which its exact mass value is equals to given mass value 315.0696,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Trispherine
Hippeastrine is an indole alkaloid isolated from the Amaryllidaceae family and has been shown to exhibit cytotoxic activity. It has a role as an antineoplastic agent and a metabolite. It is an indole alkaloid, a delta-lactone, a secondary alcohol and an organic heteropentacyclic compound. Hippeastrine is a natural product found in Pancratium trianthum, Pancratium canariense, and other organisms with data available.
Flusilazole
Flusilazole is an organosilicon compound that is dimethylsilane in which the hydrogens attached to the silicon are replaced by p-fluorophenyl groups and a hydrogen attached to one of the methyl groups is replaced by a 1H-1,2,4-triazol-1-yl group. It is a broad-sepctrum fungicide used to protect a variety of crops. It has a role as a xenobiotic, an environmental contaminant, an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is a member of monofluorobenzenes, a member of triazoles, an organosilicon compound, a conazole fungicide and a triazole fungicide. CONFIDENCE standard compound; INTERNAL_ID 555; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9550; ORIGINAL_PRECURSOR_SCAN_NO 9549 CONFIDENCE standard compound; INTERNAL_ID 555; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9630; ORIGINAL_PRECURSOR_SCAN_NO 9627 CONFIDENCE standard compound; INTERNAL_ID 555; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9444; ORIGINAL_PRECURSOR_SCAN_NO 9441 CONFIDENCE standard compound; INTERNAL_ID 555; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9499; ORIGINAL_PRECURSOR_SCAN_NO 9497 CONFIDENCE standard compound; INTERNAL_ID 555; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9537; ORIGINAL_PRECURSOR_SCAN_NO 9535 Highly potent broad-spectrum fungicide. Controls broad spectrum of diseases on economically important crops. Flusilazole is found in cereals and cereal products. Flusilazole is found in cereals and cereal products. Highly potent broad-spectrum fungicide. Controls broad spectrum of diseases on economically important crops. CONFIDENCE standard compound; INTERNAL_ID 4011 CONFIDENCE standard compound; INTERNAL_ID 2564 CONFIDENCE standard compound; INTERNAL_ID 8385 D016573 - Agrochemicals D010575 - Pesticides
Chlorprothixene
Chlorprothixene is only found in individuals that have used or taken this drug. It is a typical antipsychotic drug of the thioxanthene (tricyclic) class. Chlorprothixene exerts strong blocking effects by blocking the 5-HT2 D1, D2, D3, histamine H1, muscarinic and alpha1 adrenergic receptors. Chlorprothixene blocks postsynaptic mesolimbic dopaminergic D1 and D2 receptors in the brain; depresses the release of hypothalamic and hypophyseal hormones and is believed to depress the reticular activating system thus affecting basal metabolism, body temperature, wakefulness, vasomotor tone, and emesis. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AF - Thioxanthene derivatives D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Chlorprothixene is a dopamine and histamine receptors antagonist with Kis of 18 nM, 2.96 nM, 4.56 nM, 9 nM and 3.75 nM for hD1, hD2, hD3, hD5 and hH1 receptors, respectively. Antipsychotic activity[1].
Efavirenz
Efavirenz (brand names Sustiva and Stocrin) is a non-nucleoside reverse transcriptase inhibitor (NNRTI) and is used as part of highly active antiretroviral therapy (HAART) for the treatment of a human immunodeficiency virus (HIV) type 1. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AG - Non-nucleoside reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065689 - Cytochrome P-450 CYP2C19 Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065688 - Cytochrome P-450 CYP2C9 Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D065693 - Cytochrome P-450 Enzyme Inducers > D065695 - Cytochrome P-450 CYP2B6 Inducers D065693 - Cytochrome P-450 Enzyme Inducers > D065701 - Cytochrome P-450 CYP3A Inducers D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 3292 CONFIDENCE standard compound; INTERNAL_ID 8518
Oxfendazole
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent CONFIDENCE standard compound; INTERNAL_ID 438; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3672; ORIGINAL_PRECURSOR_SCAN_NO 3670 CONFIDENCE standard compound; INTERNAL_ID 438; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3663; ORIGINAL_PRECURSOR_SCAN_NO 3660 CONFIDENCE standard compound; INTERNAL_ID 438; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3677; ORIGINAL_PRECURSOR_SCAN_NO 3673 CONFIDENCE standard compound; INTERNAL_ID 438; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3666; ORIGINAL_PRECURSOR_SCAN_NO 3662 CONFIDENCE standard compound; INTERNAL_ID 438; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3739; ORIGINAL_PRECURSOR_SCAN_NO 3736 CONFIDENCE standard compound; INTERNAL_ID 438; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3676; ORIGINAL_PRECURSOR_SCAN_NO 3674 CONFIDENCE standard compound; INTERNAL_ID 438; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7569; ORIGINAL_PRECURSOR_SCAN_NO 7565 CONFIDENCE standard compound; INTERNAL_ID 438; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7593; ORIGINAL_PRECURSOR_SCAN_NO 7591 CONFIDENCE standard compound; INTERNAL_ID 438; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7621; ORIGINAL_PRECURSOR_SCAN_NO 7619 CONFIDENCE standard compound; INTERNAL_ID 438; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7615; ORIGINAL_PRECURSOR_SCAN_NO 7613 CONFIDENCE standard compound; INTERNAL_ID 438; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7596; ORIGINAL_PRECURSOR_SCAN_NO 7593 CONFIDENCE standard compound; INTERNAL_ID 438; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7629; ORIGINAL_PRECURSOR_SCAN_NO 7627 CONFIDENCE standard compound; INTERNAL_ID 1165 CONFIDENCE standard compound; INTERNAL_ID 1065
clonazepam
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AE - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Clonazepam
An anticonvulsant used for several types of seizures, including myotonic or atonic seizures, photosensitive epilepsy, and absence seizures, although tolerance may develop. It is seldom effective in generalized tonic-clonic or partial seizures. The mechanism of action appears to involve the enhancement of gamma-aminobutyric acid receptor responses. [PubChem] N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AE - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Oxfendazole
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent Anthelmintic, used in cattle, sheep and horse
Avenanthramide C
Avenanthramide c is a member of the class of compounds known as avenanthramides. Avenanthramides are a group of phenolic alkaloids consisting of conjugate of three phenylpropanoids (ferulic, caffeic, or p-coumaric acid) and anthranilic acid. Avenanthramide c is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Avenanthramide c can be found in cereals and cereal products, which makes avenanthramide c a potential biomarker for the consumption of this food product. N-(3,4-Dihydroxycinnamoyl)-2-amino-5-hydroxybenzoic acid is found in cereals and cereal products. N-(3,4-Dihydroxycinnamoyl)-2-amino-5-hydroxybenzoic acid is isolated from oats (Avena sativa).
(1R*,3R*,3'S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid
(1R*,3S*,3R*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid is found in root vegetables. (1R*,3S*,3R*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid is an alkaloid from fermented radish root
Citpressine II
Citpressine II is found in citrus. Citpressine II is an alkaloid from the root of bark of Citrus depressa (Shekwasha mandarin
3-(3,4-Dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]prop-2-enamide
4-Nitrophenyl beta-D-glucopyranosiduronic acid
(7R)-5-Chloro-3-phenyl-7,8-dihydrofuro[2,3-g][1,2]benzoxazole-7-carboxylic acid
N-(3-Chlorophenyl)-6,7-dimethoxyquinazolin-4-amine
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D000970 - Antineoplastic Agents > D020032 - Tyrphostins D004791 - Enzyme Inhibitors
N-(3',4'-Dihydroxycinnamoyl)-5-hydroxyanthranilic acid
Avenanthramide K
Avenanthramide k is a member of the class of compounds known as avenanthramides. Avenanthramides are a group of phenolic alkaloids consisting of conjugate of three phenylpropanoids (ferulic, caffeic, or p-coumaric acid) and anthranilic acid. Avenanthramide k is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Avenanthramide k can be found in oat, which makes avenanthramide k a potential biomarker for the consumption of this food product.
3,9-(2-Imino-1-methyl-4-imidazolidinone-5-yl)isopropenylpurine-6,8-dione
AG-1478
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D000970 - Antineoplastic Agents > D020032 - Tyrphostins D004791 - Enzyme Inhibitors
Alachlor ESA
An organosulfonic acid that is 2-oxoethanesulfonic acid substituted by (2,6-diethylphenyl)(methoxymethyl)amino group at position 2. It is a metabolite of alachlor. CONFIDENCE standard compound; EAWAG_UCHEM_ID 99
Acetochlor esa
An organosulfonic acid that is 2-oxoethanesulfonic acid substituted by an (ethoxymethyl)(2-ethyl-6-methylphenyl)amino group at position 2. CONFIDENCE standard compound; EAWAG_UCHEM_ID 103
N1-(2-Cyanoethyl)-N1-(3-pyridylmethyl)-4-methyl-1-benzenesulfonamide
6-[(Acetyloxy)methyl]-5,6-dihydro-7-hydroxy-2,2-dimethyl-2H-pyrano[3,2-c]quinolin-5-one
5-(9H-beta-carbolin-1-yl)-5-hydroxy-5,6-dihydro-[2]pyrindin-7-one|Pauridianthinin|Pauridianthinine
S-(2-Amino-4-(4-methoxyphenyl)-1-methyl-1H-imidazol-5-yl) O-hydrogen sulfothioate
(7E)-N-(3,4,5-trihydroxyl)phenylethyl-4-hydroxyl-cinnamamide
(5,8-dihydro-7-methoxy-6-methyl-5,8-dioxo-1-isoquinolinyl)methyl (2Z)-2-methyl-2-butenoate|Renieron|Renierone
Flusilazole
D016573 - Agrochemicals D010575 - Pesticides CONFIDENCE standard compound; EAWAG_UCHEM_ID 97
chlorprothixene
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AF - Thioxanthene derivatives D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Chlorprothixene is a dopamine and histamine receptors antagonist with Kis of 18 nM, 2.96 nM, 4.56 nM, 9 nM and 3.75 nM for hD1, hD2, hD3, hD5 and hH1 receptors, respectively. Antipsychotic activity[1].
Efavirenz
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AG - Non-nucleoside reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065689 - Cytochrome P-450 CYP2C19 Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065688 - Cytochrome P-450 CYP2C9 Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D065693 - Cytochrome P-450 Enzyme Inducers > D065695 - Cytochrome P-450 CYP2B6 Inducers D065693 - Cytochrome P-450 Enzyme Inducers > D065701 - Cytochrome P-450 CYP3A Inducers D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent CONFIDENCE standard compound; INTERNAL_ID 2357
Hippeastrine
Hippeastrine is an indole alkaloid isolated from the Amaryllidaceae family and has been shown to exhibit cytotoxic activity. It has a role as an antineoplastic agent and a metabolite. It is an indole alkaloid, a delta-lactone, a secondary alcohol and an organic heteropentacyclic compound. Hippeastrine is a natural product found in Pancratium trianthum, Pancratium canariense, and other organisms with data available. An indole alkaloid isolated from the Amaryllidaceae family and has been shown to exhibit cytotoxic activity. Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Amaryllidaceae alkaloids
p-[N-Propyl-N-(2-carboxyethyl)sulfamoyl]benzoic acid
1-(2-sulfanylidenepyrrolidin-3-yl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid
Sulfamide,N-(6-hydroxy-4,5,7-trimethyl-2-benzothiazolyl)-N,N-dimethyl-
protizinic acid
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]benzoic acid
Phenyl (4-chloro-3-(trifluoromethyl)phenyl)carbamate
2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanone
2-quinolin-2-yl-1-[3-(trifluoromethyl)phenyl]ethanone
Methyl 3-bromo-4-[3-(dimethylamino)propoxy]benzoate
2-(3-BROMO-PHENYL)-N-(2,2-DIMETHOXY-ETHYL)-N-METHYL-ACETAMIDE
1-ETHANONE, 2-CHLORO-1-[2,5-DIMETHYL-1-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROL-3-YL]-
2-(2-ISOPROPYLAMINO-THIAZOL-4-YL)-7-METHOXY-QUINOLIN-4-OL
3-CHLORO-3-(CYCLOPROPYLCARBAMOYL)-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
tert-Butyl (S)-2-(4-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
5-FLUORO-2,3-DIHYDRO-BENZOFURAN-3-YLAMINEHYDROCHLORIDE
(5-HYDROXY-6-METHYLPYRIDINE-3,4-DIYL)DIMETHANOL 2-OXOPENTANEDIOATE
Fotemustine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AD - Nitrosoureas C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents
(R)-(-)-n-(3,5-dinitrobenzoyl)-alpha-phenylethylamine
TERT-BUTYL 2-(CHLOROSULFONYL)-1H-INDOLE-1-CARBOXYLATE
3-[2-(4-Chlorophenoxy)phenyl]-1,5-dihydro-4-hydroxy-1-methyl-2H-pyrrol-2-one
2-(4-ACETOPHENOXY)-3-CHLORO-5-TRIFLUOROMETHYL PYRIDINE
3-[Bis(2-thienyl)methylene]octahydro-2H-quinolizine
2-[4-(2-pyrimidinyl)-1-piperazinyl]ethanamine(SALTDATA: 3HCl)
ETHYL 2-(4-CHLOROPHENYL)-7-METHYLPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE
2-(5-Chloro-2H-benzotriazol-2-yl)-4-methyl-6-(2-methyl-2-propanyl )phenol
6-[Methyl(propyl)amino]-5,6,7,8-tetrahydro-2,3-naphthalenediol hy drobromide (1:1)
3-[(2-chlorophenyl)methyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
ethyl 4-chloro-5-methyl-7-phenylpyrrolo[2,3-d]pyrimidine-6-carboxylate
2-CYANO-2-(3-ETHYL-4-OXO-5-((PHENYLAMINO)METHYLENE)THIAZOLIDIN-2-YLIDENE)ACETIC ACID
3-Nitro-4-[[(tetrahydropyran-4-yl)methyl]amino]benzenesulfonamide
2,5-dimethyl-4-(2-thienylaminosulphonyl)furan-3-carboxylic acid
disodium,1-(N-benzylcarbamimidoyl)-2-phosphonatoguanidine,hydrate
5-METHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRAZOL-3-YL 2-CHLORONICOTINATE
1H-Pyrrolo[2,3-b]pyridine-3-ethanamine, 1-[(3-methylphenyl)sulfonyl]-
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(4-nitrophenyl)methoxy]tetr ahydropyran-3,4,5-triol
(4-Amino-5-benzyl-pyrimidin-2-ylsulfanyl)-acetic acid allyl ester
4-Chloro-2-(piperazin-1-yl)-6-(trifluoromethyl)quinoline
2-(4-benzoylphenyl)-2-(4-fluorophenyl)acetonitrile
5-[ISOCYANO-(TOLUENE-4-SULFONYL)-METHYL]-BENZO[1,3]DIOXOLE
(S)-(+)-CROTONYLCYCLOPENTANEDIENYLIRONCARBONYLTRIPHENYLPHOSPHINECOMPLEX
b-Alanine,N-(2-carboxyethyl)-N-[(4-methylphenyl)sulfonyl]-
ETHYL 2-(2-[3-(TRIFLUOROMETHYL)PHENYL]-1,3-THIAZOL-4-YL)ACETATE
3-[4-[(4-METHYLPHENYL)THIO]-3-NITROPHENYL]ACRYLIC ACID
3-(4-FLUORO-BENZENESULFONYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-[4-(2-Nitrobenzenesulfonyl)piperazin-1-yl]ethanol
(3-hydroxy-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone
2-(2-CHLORO-ACETYLAMINO)-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
Tolmetin sodium dihydrate
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
3-[2-[(4-METHYLPHENYL)THIO]-5-NITROPHENYL]ACRYLIC ACID
tert-Butyl 4-(2-chloro-5-fluoropyrimidin-4-yl)piperidine-1-carboxylate
p-Nitrophenyl-beta-D-glucuronide
(E)-1-TERT-BUTYL4-ETHYL2,3,6,7-TETRAHYDROAZEPINE-1,4-DICARBOXYLATE
7-chloro-8-methyl-2-phenyl-quinoline-4-carbonyl chloride
Clobenzepam
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
{[4-Benzyl-5-(2-furyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
3-amino-4-(4-chloro-3,5-dimethylphenoxy)benzotrifluoride
2-(2-CHLORO-ACETYLAMINO)-6-METHYL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
tert-butyl 2-(2,3-difluoro-6-nitrophenyl)-3-oxobutanoate
3-(5-chloro-2-phenoxyphenyl)-1-methylpyrrolidine-2,4-dione
Ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
Cidofovir Dihydrate
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent D004791 - Enzyme Inhibitors
4,5,7-TRI-O-ACETYL-2,6-ANHYDRO-3-DEOXY-D-LYXO-HEPT-2-ENONAMIDE
1-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydrobenzo[b]azepin-5-one
4-(4-fluorophenyl)-3-[2-(4-hydroxyphenyl)ethyl]-1H-1,2,4-triazole-5-thione
AZD-4635
AZD4635 (HTL1071) is a potent, selective and orally active adenosine A2A receptor (A2AR) antagonist. AZD4635 binds to human A2AR with a Ki of 1.7 nM and shows >30-fold selectivity over other adenosine receptors[1].
N-((2-methyl-5-nitrophenyl)carbamothioyl)benzamide
Carbamic acid, [(1R)-1-(3-bromophenyl)-2-hydroxyethyl]-, 1,1-dimethylethyl ester (9CI)
Ramosetron 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 D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Ramosetron Hydrochloride(YM060 Hydrochloride) is a serotonin 5-HT3 receptor antagonist for the treatment of nausea and vomiting. Target: 5-HT3 Receptor Ramosetron hydrochloride selectively blocks serotonin receptors (5-HT3). Serotonin plays a vital role in vomiting, serotonin-induced bradycardic reflex and peristalsis. The pharmacological action of Ramosetron hydrochloride is sustained and potent.
2-(3-chloro-2-oxo-1,3-dihydroindol-4-yl)ethyl benzoate
MPC 6827 hydrochloride
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent
1-Methyl ethyl 2-chloro-5-[[[(1-methylethoxy)thiooxo]methyl]amino]-benzoate
5H-Benzo(4,5)cyclohepta(1,2-b)naphthalene-5,12-imine-6,11,13(12H)-trione, 14-methyl-
(3E)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
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
Furo[2,3-g]-1,2-benzisoxazole-7-carboxylicacid, 5-chloro-7,8-dihydro-3-phenyl-
5-[[2,5-Dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene]-2-thioxo-4-thiazolidinone
N-(7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
9-phenyl-3,4a,5,6,7,8,8a,9-octahydro-2H-5,8-methanothiochromeno[2,3-d][1,3]thiazol-2-one
1-[Oxo-(2-oxo-1-benzopyran-3-yl)methyl]-4-piperidinecarboxylic acid methyl ester
N-[(4-chlorophenyl)methyl]-6-(3,5-dimethyl-1-pyrazolyl)-1,2,4,5-tetrazin-3-amine
2-{[({1-[2-(4-Methoxyphenyl)cyclopropyl]ethylidene}amino)oxy]carbonyl}thiophene
3-[[Oxo(thiophen-2-yl)methyl]amino]-2-benzofurancarboxylic acid ethyl ester
6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one
diethyl [(1S)-1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl]phosphonate
D000970 - Antineoplastic Agents
(3r)-3-Ethyl-N-[(4-Methylphenyl)sulfonyl]-L-Aspartic Acid
2-Methylcarbamoyl-3-(4-phosphonooxy-phenyl)-cyclopropanecarboxylic acid
4,6-Dideoxy-4-{[(1s,5r,6s)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-d-xylo-hex-5-enopyranose
(1R*,3R*,3'S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid
(1R*,3S*,3R*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid is found in root vegetables. (1R*,3S*,3R*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid is an alkaloid from fermented radish root Alkaloid from fermented radish roots. (1R*,3S*,3R*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid is found in root vegetables.
(3R,9R,10R)-9-hydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-olate
3-O-methyltricetin(1-)
The conjugate base of 3-O-methyltricetin arising from selective deprotonation of the 7-OH position; major species at pH 7.3.
3,4,5-Trihydroxy-3-methoxyflavon-7-olate
The conjugate base of 3,4,5,7-tetrahydroxy-3-methoxyflavone arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
5-Hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-methoxy-4-oxochromen-3-olate
(3R)-3-(2,4-dimethoxyphenyl)-7-hydroxy-4-oxo-2,3-dihydrochromen-5-olate
3-N-[(2-chloro-6-phenoxyphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
2,3,4,5-Tetrafluoro-6-(3-methoxyanilino)benzoic acid
N-(1H-benzimidazol-2-yl)-2-methylsulfonylbenzamide
[4-[(2-Fluorophenyl)methoxy]phenyl]-(1-pyrrolidinyl)methanethione
4-(3-methylphenyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione
4-(4-chlorophenyl)-3-(2-phenylethyl)-1H-1,2,4-triazole-5-thione
8-Chloro-5-isobutyl-1,2,3,4-tetrahydro-7-oxa-6,9,11-triaza-benzo[c]fluorene
2-amino-7-methyl-4-(5-nitro-2-furanyl)-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
N-[3-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl]acetamide
N,N,2-trimethyl-1-phenyl-5-benzimidazolesulfonamide
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide
5-(2-nitrophenyl)-N-(2-thiazolyl)-2-furancarboxamide
4-(3-methylphenyl)-3-(5-propan-2-yl-3-thiophenyl)-1H-1,2,4-triazole-5-thione
2-(2,3,4-Trimethoxyphenyl)-2,3-dihydro-1,3-benzoxazin-4-one
N-[(3-methoxybenzoyl)oxy]-4-nitrobenzenecarboximidamide
2-Ethoxy-3-pyridinecarboxylic acid (4-methoxycarbonylphenyl)methyl ester
3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione
2-(cinnamoylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
1-(4-Methyl-3-nitrophenyl)-3-[(4-methylphenyl)methyl]thiourea
N-(1-ethyl-5-benzimidazolyl)-4-methylbenzenesulfonamide
3-[3-(2-Methoxyphenoxy)propyl]-1,3-benzothiazol-2-one
5-Nitro-2-furancarboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester
2-[(3-Cyano-6-cyclopropyl-4-thiophen-2-yl-2-pyridinyl)thio]acetamide
5,6-Dimethyl-1-(4-methylphenyl)sulfonyl-2-benzimidazolamine
4-(phenylmethyl)-3-(5-propyl-3-thiophenyl)-1H-1,2,4-triazole-5-thione
[2-(furan-2-ylmethylamino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
4-[(1-methyl-5-tetrazolyl)thio]-5-(1H-pyrrol-2-yl)thieno[2,3-d]pyrimidine
4-hydroxy-1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1,2-dihydro-3-quinolinecarboxamide
5-(4-fluorophenyl)-7-phenyl-3,6-dihydro-2H-imidazo[2,1-b]thiazol-4-ium-5-ol
2-thiophen-2-ylethyl (Z)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate
6-[4-(2-chlorophenyl)piperazin-1-yl]-7H-purin-1-ium
N-hydroxy-1,3-dimethyl-3-nitrospiro[cyclohepta[d]imidazol-3-ium-2,4-cyclohexa-2,5-diene]-1-imine oxide
4-[3-Amino-6-(4-cyanophenyl)pyrazin-2-yl]benzamide
[(2R)-2-(4-chlorophenyl)cyclopropyl]-[4-(2-hydroxyethylamino)phenyl]methanone
2-Amino-3-[hydroxy-(2-hydroxy-3-propanoyloxypropoxy)phosphoryl]oxypropanoic acid
(1R*,3R*,3S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid
hydroxyfenbendazole
A member of the class of benzimidazoles that is fenbendazole in which the hydrogen at position 4 on the phenyl ring has been replaced by a hydroxy group.
4-nitrophenyl beta-D-glucuronide
A beta-D-glucosiduronic acid having a 4-nitrophenyl substituent at the anomeric position.
isorhamnetin(1-)
A flavonoid oxoanion that is the conjugate base of isorhamnetin, arising from the deprotonation of the 7-hydroxy group; major species at pH 7.3.
(1R,2S)-VU0155041
(1R,2S)-VU0155041, Cis regioisomer of VU0155041, is a partial mGluR4 agonist with an EC50 of 2.35 μM.
2-TEDC
2-TEDC is a potent inhibitor of 5-, 12-, and 15-lipoxygenase with IC50 values of 0.09 μM, 0.013 μM and 0.5 μM, respectively. 2-TEDC can be used for the research of atheroscrelosi[1].
APX-115
APX-115 (Ewha-18278) is a potent, orally active pan NADPH oxidase (Nox) inhibitor with Ki values of 1.08 μM, 0.57 μM, and 0.63 μM for Nox1, Nox2 and Nox4, respectively. APX-115 effectively prevents kidney injury[1].
Flupyrimin
Flupyrimin acts as an antagonist at the insect nicotinic acetylcholine receptor (nAChR)[1].
VU0155041
VU0155041 is a potent, selective positive allosteric modulator (PAM) of mGluR4, with EC50s of 798 nM and 693 nM for human and rat mGluR4, respectively. VU0155041 has potential for the research of Parkinson's disease (PD)[1].
6-{[(2s)-3,3-dimethyloxiran-2-yl]methoxy}-4-methoxyfuro[2,3-b]quinolin-7-ol
(7-methoxy-6-methyl-5,8-dioxoisoquinolin-1-yl)methyl (2z)-2-methylbut-2-enoate
(10r)-2-hydroxy-10-{[(4z)-5-hydroxy-2-imino-3-methylimidazol-4-ylidene]methyl}-1,3,6,8-tetraazatricyclo[6.3.1.0⁴,¹²]dodeca-2,4(12),6-trien-5-one
(1r,13r,16r,18r)-18-methoxy-5,7,12-trioxa-15-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,19-tetraen-11-one
2-[(1r)-1-hydroxyethyl]-n-[2-(1h-indol-3-yl)ethyl]-1,3-thiazole-4-carboximidic acid
(10s)-2-hydroxy-10-{[(4z)-5-hydroxy-2-imino-3-methylimidazol-4-ylidene]methyl}-1,3,6,8-tetraazatricyclo[6.3.1.0⁴,¹²]dodeca-2,4(12),6-trien-5-one
(3s,9s)-9-hydroxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),7,13,15(19)-tetraen-12-one
1-(2'-pyrrolidinethion-3'-yl)-1,2,3,4-tetrahydro-β-carboline-3-carboxylicacid
{"Ingredient_id": "HBIN000967","Ingredient_name": "1-(2'-pyrrolidinethion-3'-yl)-1,2,3,4-tetrahydro-\u03b2-carboline-3-carboxylicacid","Alias": "NA","Ingredient_formula": "C16H17N3O2S","Ingredient_Smile": "C1CNC(=S)C1C2C3=C(CC(N2)C(=O)O)C4=CC=CC=C4N3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "18264","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
