Exact Mass: 248.07317819999997
Exact Mass Matches: 248.07317819999997
Found 500 metabolites which its exact mass value is equals to given mass value 248.07317819999997,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sudan_I
C16H12N2O (248.09495819999998)
C.i. solvent yellow 14 appears as dark reddish-yellow leaflets or orange powder. Slight odor. (NTP, 1992) Sudan I is a monoazo compound. It has a role as a dye. It is functionally related to a 2-naphthol. D009676 - Noxae > D002273 - Carcinogens D004396 - Coloring Agents CONFIDENCE standard compound; INTERNAL_ID 5651
Pyridoxamine 5'-phosphate
C8H13N2O5P (248.05620580000001)
Pyridoxamine 5-phosphate belongs to the class of organic compounds known as pyridoxamine 5-phosphates. These are heterocyclic aromatic compounds containing a pyridoxamine that carries a phosphate group at the 5-position. Vitamin B6 is a water-soluble compound that was discovered in 1930s during nutrition studies on rats. The vitamin was named pyridoxine to indicate its structural homology to pyridine. Later it was shown that vitamin B6 could exist in two other, slightly different, chemical forms, termed pyridoxal and pyridoxamine. All three forms of vitamin B6 are precursors of an activated compound known as pyridoxal 5-phosphate (PLP), which plays a vital role as the cofactor of a large number of essential enzymes in the human body. Vitamin B6 is a water-soluble vitamin. The three major forms of vitamin B6 are pyridoxine (also known as pyridoxol), pyridoxal, and pyridoxamine, which are all converted in the liver to pyridoxal 5-phosphate (PLP) a cofactor in many reactions of amino acid metabolism. PLP also is necessary for the enzymatic reaction governing the release of glucose from glycogen. Vitamin B6 is a water-soluble compound that was discovered in 1930s during nutrition studies on rats. The vitamin was named pyridoxine to indicate its structural homology to pyridine. Later it was shown that vitamin B6 could exist in two other, slightly different, chemical forms, termed pyridoxal and pyridoxamine. All three forms of vitamin B6 are precursors of an activated compound known as pyridoxal 5-phosphate (PLP), which plays a vital role as the cofactor of a large number of essential enzymes in the human body. KEIO_ID P113; [MS3] KO009146 KEIO_ID P113; [MS2] KO009143 KEIO_ID P113
Dapsone
A sulfone active against a wide range of bacteria but mainly employed for its actions against mycobacterium leprae. Its mechanism of action is probably similar to that of the sulfonamides which involves inhibition of folic acid synthesis in susceptible organisms. It is also used with pyrimethamine in the treatment of malaria. (From Martindale, The Extra Pharmacopoeia, 30th ed, p157-8) CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5725; ORIGINAL_PRECURSOR_SCAN_NO 5723 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5706; ORIGINAL_PRECURSOR_SCAN_NO 5704 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5675; ORIGINAL_PRECURSOR_SCAN_NO 5671 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5709; ORIGINAL_PRECURSOR_SCAN_NO 5707 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5694; ORIGINAL_PRECURSOR_SCAN_NO 5692 CONFIDENCE standard compound; INTERNAL_ID 857; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5720; ORIGINAL_PRECURSOR_SCAN_NO 5718 J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04B - Drugs for treatment of lepra > J04BA - Drugs for treatment of lepra D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007917 - Leprostatic Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C849 - Sulfone Anti-Infective Agent D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists CONFIDENCE standard compound; EAWAG_UCHEM_ID 3644 CONFIDENCE standard compound; INTERNAL_ID 1024 KEIO_ID A220; [MS2] KO008829 KEIO_ID A220 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Pyrimethamine
Pyrimethamine is only found in individuals that have used or taken this drug. It is one of the folic acid antagonists that is used as an antimalarial or with a sulfonamide to treat toxoplasmosis. [PubChem]Pyrimethamine inhibits the dihydrofolate reductase of plasmodia and thereby blocks the biosynthesis of purines and pyrimidines, which are essential for DNA synthesis and cell multiplication. This leads to failure of nuclear division at the time of schizont formation in erythrocytes and liver. CONFIDENCE standard compound; INTERNAL_ID 1363; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7091; ORIGINAL_PRECURSOR_SCAN_NO 7088 CONFIDENCE standard compound; INTERNAL_ID 1363; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7117; ORIGINAL_PRECURSOR_SCAN_NO 7114 CONFIDENCE standard compound; INTERNAL_ID 1363; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7128; ORIGINAL_PRECURSOR_SCAN_NO 7126 CONFIDENCE standard compound; INTERNAL_ID 1363; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7117; ORIGINAL_PRECURSOR_SCAN_NO 7115 CONFIDENCE standard compound; INTERNAL_ID 1363; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7093; ORIGINAL_PRECURSOR_SCAN_NO 7091 P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BD - Diaminopyrimidines D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists
5-Hydroxyindoleacetylglycine
C12H12N2O4 (248.07970319999998)
5-Hydroxyindoleacetylglycine is found in Tryptophan metabolism [Kegg: C05832] [HMDB] 5-Hydroxyindoleacetylglycine is found in Tryptophan metabolism [Kegg: C05832].
Indolo[2,1-b]quinazoline-6,12-dione
Tryptanthrin is an indole quinazoline that could be an alkaloid from indigo-bearing plants. Tryptanthrin is a potent and orally active cellular Leukotriene (LT) biosynthesis inhibitor. Tryptanthrin has anticancer activity. Tryptanthrin suppresses the expression levels of NOS1, COX-2, and NF-κB and regulates the expression levels of IL-2, IL-10, and TNF-α[1][2]. Tryptanthrin is an indole quinazoline that could be an alkaloid from indigo-bearing plants. Tryptanthrin is a potent and orally active cellular Leukotriene (LT) biosynthesis inhibitor. Tryptanthrin has anticancer activity. Tryptanthrin suppresses the expression levels of NOS1, COX-2, and NF-κB and regulates the expression levels of IL-2, IL-10, and TNF-α[1][2].
1-Hydroxy-6-methoxypyrene
This compound belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
Glutamylthreonine
C9H16N2O6 (248.10083160000002)
Glutamylthreonine is a dipeptide composed of glutamate and threonine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylthreonine is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Gamma-Glutamylthreonine
C9H16N2O6 (248.10083160000002)
gamma-Glutamylthreonine is a dipeptide composed of gamma-glutamate and threonine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamylthreonine is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
L-beta-aspartyl-L-aspartic acid
L-beta-aspartyl-l-aspartic acid is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha Amino Acids and Derivatives. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom. It is found in urine (PMID: 3782411). A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB] β-Aspartylaspartic acid is a natural compound found in Asparagus (Asparagus officinalis) Shoots[1].
Coriandrone E
Constituent of Coriandrum sativum (coriander) (Umbelliferae). Coriandrone E is found in coriander and herbs and spices. Coriandrone E is found in coriander. Coriandrone E is a constituent of Coriandrum sativum (coriander) (Umbelliferae)
Aspartyl-Aspartate
Aspartyl-Aspartate is a dipeptied compoosed of two aspartate residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Threonylglutamic acid
C9H16N2O6 (248.10083160000002)
Threonylglutamic acid is a dipeptide composed of threonine and glutamic acid. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Enoximone
Enoximone is a selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity that does not cause changes in myocardial oxygen consumption. It is used in patients with congestive heart failure. Trials were halted in the U.S., but the drug is used in various countries. C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CE - Phosphodiesterase inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents
p-Hydroxyphenobarbital
C12H12N2O4 (248.07970319999998)
p-Hydroxyphenobarbital is a metabolite of Phenobarbital. Phenobarbital (INN) is a barbiturate and the most widely used anticonvulsant worldwide, and the oldest still commonly used. It also has sedative and hypnotic properties. (Wikipedia)
Hydroxynalidixic acid
C12H12N2O4 (248.07970319999998)
Hydroxynalidixic acid is a metabolite of nalidixic acid. Nalidixic acid (tradenames Nevigramon, Neggram, Wintomylon and WIN 18,320) is the first of the synthetic quinolone antibiotics. In the technical sense, it is a naphthyridone, not a quinolone: its ring structure is a 1,8-naphthyridine nucleus that contains two nitrogen atoms, unlike quinoline, which has a single nitrogen atom. (Wikipedia)
6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
C26170 - Protective Agent > C1509 - Neuroprotective Agent Selisistat (EX-527) is a potent and selective SirT1 (Sir2 in Drosophila melanogaster) inhibitor with an IC50 of 123 nM for SirT1. Selisistat alleviates pathology in multiple animal and cell models of Huntington's disease[1][2].
3-(3-(Pyridin-3-yl)-1,2,4-oxadiazol-5-yl)benzonitrile
NS9283 is a positive positive allosteric modulator of (α4)3(β2)2 nicotinic ACh receptors. NS9283 can be used in a series of neurological conditions such as attention deficit hyperactivity disorder (ADHD), schizophrenia, Parkinson's disease and Alzheimer's disease[1].
Nitrefazole
C10H8N4O4 (248.05455279999998)
C471 - Enzyme Inhibitor
Tetrahydrouridine
C9H16N2O6 (248.10083160000002)
Sodium glucoheptonate
C7H13NaO8 (248.05080980000002)
It is used as a food additive .
2-(5'-methylthio)pentylmalate
2-(5-methylthio)pentylmalate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 2-(5-methylthio)pentylmalate can be found in a number of food items such as colorado pinyon, yellow bell pepper, asian pear, and celery stalks, which makes 2-(5-methylthio)pentylmalate a potential biomarker for the consumption of these food products.
3-(5'-methylthio)pentylmalate
3-(5-methylthio)pentylmalate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 3-(5-methylthio)pentylmalate can be found in a number of food items such as evening primrose, other bread, sunflower, and broad bean, which makes 3-(5-methylthio)pentylmalate a potential biomarker for the consumption of these food products.
HARMINE HCl
Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1].
Harmine
Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1].
1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]thiourea
C10H11F3N2S (248.05950019999997)
Naphtho[2,3-c]furan-1,4-dione, 3,3a,9,9a-tetrahydro-6-hydroxy-7-methoxy-
6-Ethyl-4H-indolo[3,2,1-de][1,5]naphthyridine-4-one
C16H12N2O (248.09495819999998)
Trans-dec-8.en-4,6-diyn-1-yl-cis-3-methylthioacrylat
6-Ethyl-2,5,7-trihydroxy-3-methyl-1,4-naphthoquinone
2,3-Didehydro,Me ether-2,3-Dihydro-7-hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid
2-Naphthalenecarboxylic acid, 5-hydroxy-4,6-dimethoxy-
Couropitin A|Couroupitin A|Couroupitine A|indolo[1,2-h][1,7]naphthyridine-6,12-dione
2-Naphthalenecarboxylic acid, 6-hydroxy-5,7-dimethoxy-
5-hydroxy-3,6-dimethoxy-2-methylnaphthalene-1,4-dione
2-Methoxy-3,4-dihydroxy-1,2,3,4-tetrahydrodibenzofuran-1-one
lawsonaphthoate A|methyl 1,6-dihydroxy-4-methoxynaphthalene-2-carboxylate
2,6-Dimethyl-4-amino-7-methoxy-3,5,8(2H)-isoquinolinetrione
C12H12N2O4 (248.07970319999998)
3-ethoxycarbonyl-3-hydroxyglutaric acid 1,5-dimethyl ester
2-Methyl-3,5-dimethoxy-6-hydroxy-1,4-naphthoquinone
Epoxide,Ac,Me ester-(Z,Z)-10-Hydroxy-2,8-decadiene-4,6-diynoic acid|methyl 2(Z)-10-acetoxy-8,9-epoxydecen-4,6-diynoate
1,3-Dimethyl-6-propionylpteridine-2,4(1H,3H)-dione
2-Naphthalenecarboxylic acid, 6-hydroxy-4,5-dimethoxy-
Indigoidine
C10H8N4O4 (248.05455279999998)
A member of the class of pyridone that is a dimeric blue pigment biosynthesised from L-glutamine.
6-acetyl-7-hydroxy-2-isopropylidene-benzo[1,4]dioxin-3-one
Selisistat
C26170 - Protective Agent > C1509 - Neuroprotective Agent Selisistat (EX-527) is a potent and selective SirT1 (Sir2 in Drosophila melanogaster) inhibitor with an IC50 of 123 nM for SirT1. Selisistat alleviates pathology in multiple animal and cell models of Huntington's disease[1][2].
Thiamet G
Asp-Asp
A dipeptide formed from two L-aspartic acid units. Beta-Aspartylaspartic acid is an aspartic acid derivative. β-Aspartylaspartic acid is a natural compound found in Asparagus (Asparagus officinalis) Shoots[1].
HARMINE HCl
Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1]. Harmine Hydrochloride (Telepathine Hydrochloride) is a natural DYRK inhibitor with anticancer and anti-inflammatory activities. Harmine has a high affinity of 5-HT2A serotonin receptor, with an Ki of 397 nM[1].
4Y6E3F2U66
Tryptanthrine is an organonitrogen heterocyclic compound, an organic heterotetracyclic compound and an alkaloid antibiotic. Indolo[2,1-b]quinazoline-6,12-dione is a natural product found in Isatis tinctoria, Cissus discolor, and other organisms with data available. Tryptanthrin is an indole quinazoline that could be an alkaloid from indigo-bearing plants. Tryptanthrin is a potent and orally active cellular Leukotriene (LT) biosynthesis inhibitor. Tryptanthrin has anticancer activity. Tryptanthrin suppresses the expression levels of NOS1, COX-2, and NF-κB and regulates the expression levels of IL-2, IL-10, and TNF-α[1][2]. Tryptanthrin is an indole quinazoline that could be an alkaloid from indigo-bearing plants. Tryptanthrin is a potent and orally active cellular Leukotriene (LT) biosynthesis inhibitor. Tryptanthrin has anticancer activity. Tryptanthrin suppresses the expression levels of NOS1, COX-2, and NF-κB and regulates the expression levels of IL-2, IL-10, and TNF-α[1][2].
pyrimethamine
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BD - Diaminopyrimidines D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists [Raw Data] CB119_Pyrimethamine_pos_50eV_CB000043.txt [Raw Data] CB119_Pyrimethamine_pos_40eV_CB000043.txt [Raw Data] CB119_Pyrimethamine_pos_30eV_CB000043.txt [Raw Data] CB119_Pyrimethamine_pos_20eV_CB000043.txt [Raw Data] CB119_Pyrimethamine_pos_10eV_CB000043.txt
gamma-Glutamylthreonine
C9H16N2O6 (248.10083160000002)
A dipeptide composed of glutamic acid and threonine joined by a peptide linkage.
3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid
Glu-THR
C9H16N2O6 (248.10083160000002)
A dipeptide composed of L-glutamic acid and L-threonine joined by a peptide linkage.
3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid
dapsone
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04B - Drugs for treatment of lepra > J04BA - Drugs for treatment of lepra D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007917 - Leprostatic Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C254 - Anti-Infective Agent > C849 - Sulfone Anti-Infective Agent D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Sudan I
C16H12N2O (248.09495819999998)
CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10862; ORIGINAL_PRECURSOR_SCAN_NO 10860 D009676 - Noxae > D002273 - Carcinogens D004396 - Coloring Agents CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10878; ORIGINAL_PRECURSOR_SCAN_NO 10876 CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10910; ORIGINAL_PRECURSOR_SCAN_NO 10908 CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10917; ORIGINAL_PRECURSOR_SCAN_NO 10916 CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10908; ORIGINAL_PRECURSOR_SCAN_NO 10905 CONFIDENCE standard compound; INTERNAL_ID 297; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10943; ORIGINAL_PRECURSOR_SCAN_NO 10942
3,3-Sulfonyldianiline
CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5699; ORIGINAL_PRECURSOR_SCAN_NO 5698 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5698; ORIGINAL_PRECURSOR_SCAN_NO 5694 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5724; ORIGINAL_PRECURSOR_SCAN_NO 5723 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5733; ORIGINAL_PRECURSOR_SCAN_NO 5730 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5745; ORIGINAL_PRECURSOR_SCAN_NO 5744 CONFIDENCE standard compound; INTERNAL_ID 984; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5735; ORIGINAL_PRECURSOR_SCAN_NO 5733
3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid_major
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-hydroxyethyl)-5-phenyl-
C12H12N2O4 (248.07970319999998)
p-Hydroxyphenobarbital
C12H12N2O4 (248.07970319999998)
Propanoic acid, 2-hydroxy-3-[(4-hydroxy-1-naphthalenyl)oxy]-
Enoximone
C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CE - Phosphodiesterase inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents
EX-527
Selisistat (EX-527) is a potent and selective SirT1 (Sir2 in Drosophila melanogaster) inhibitor with an IC50 of 123 nM for SirT1. Selisistat alleviates pathology in multiple animal and cell models of Huntington's disease[1][2].
Coriandrone E
2-(3-OXO-PIPERAZINE-1-CARBONYL)-BENZOIC ACID
C12H12N2O4 (248.07970319999998)
2-piperidin-3-ylaniline,dihydrochloride
C11H18Cl2N2 (248.08469680000002)
1H-1,2,4-Triazole-3-carboxamide,N-(4,7-dihydro-2,1,3-benzothiadiazol-4-yl)-
5-(2,5-dimethoxyphenyl)-1h-pyrazole-3-carboxylic acid
C12H12N2O4 (248.07970319999998)
5-METHYL-1-(4-NITROPHENYL)-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID
C10H8N4O4 (248.05455279999998)
(4-METHYL-1,3-THIAZOL-2-YL)ACETONITRILE
C12H12N2O4 (248.07970319999998)
3-BIPHENYL-3,4-DIFLUORO-ACETICACID
C14H10F2O2 (248.06488240000002)
3-BIPHENYL-3,5-DIFLUORO-ACETICACID
C14H10F2O2 (248.06488240000002)
Sulfabenz
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-THIAZOLECARBOXYLICACID,4-(4-AMINOPHENYL)-,ETHYLESTER
Ethyl 4-methyl-2-(3-pyridinyl)-1,3-thiazole-5-carboxylate
1,1-(1,4-Butanediyl)bis(1H-pyrrole-2,5-dione)
C12H12N2O4 (248.07970319999998)
2-BIPHENYL-3,5-DIFLUORO-ACETICACID
C14H10F2O2 (248.06488240000002)
Dimethyl 5-methyl-1H-pyrrolo[2,3-b]pyridine-1,3-dicarboxylate
C12H12N2O4 (248.07970319999998)
2-(3,5-DIFLUORO-[1,1-BIPHENYL]-4-YL)ACETIC ACID
C14H10F2O2 (248.06488240000002)
2-BIPHENYL-3,4-DIFLUORO-ACETICACID
C14H10F2O2 (248.06488240000002)
4-BIPHENYL-3,4-DIFLUORO-ACETICACID
C14H10F2O2 (248.06488240000002)
2,4-dihydroxy-3-propyl-1,1,1-trifluoroacetophenone
C11H11F3O3 (248.06602519999998)
Nimazone
C11H9ClN4O (248.04648539999997)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
5-(2,4-dimethoxyphenyl)-1H-pyrimidine-2,4-dione
C12H12N2O4 (248.07970319999998)
6-(1,1-DIMETHYLPROPYL)-1-BENZOTHIOPHENE-3-CARBOXYLIC ACID
3,4-DIFLUORO-3-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
C14H10F2O2 (248.06488240000002)
4,4-DIFLUORO-3-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C14H10F2O2 (248.06488240000002)
4,6-DIFLUORO-3-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C14H10F2O2 (248.06488240000002)
Ethyl 5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
C12H12N2O4 (248.07970319999998)
methyl 5-(1,3-dioxolan-2-yl)-1-benzofuran-2-carboxylate
Ethyl 4-methyl-7-nitro-1H-indole-2-carboxylate
C12H12N2O4 (248.07970319999998)
1-Benzylpiperazine dihydrochloride
C11H18Cl2N2 (248.08469680000002)
1-(4-Nitrobenzoyl)tetrahydro-4(1H)-pyridinone
C12H12N2O4 (248.07970319999998)
ethyl 2-(3-aminophenyl)-1,3-thiazole-4-carboxylate
(4-ISOPROPOXY-2-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
C10H12BF3O3 (248.08315480000002)
ethyl 5-hydroxy-2-oxo-1,3-dihydropyrido[4,3-b]azepine-4-carboxylate
C12H12N2O4 (248.07970319999998)
3-(2-amino-2-carboxyethyl)-1H-indole-4-carboxylic acid
C12H12N2O4 (248.07970319999998)
(1R)-1-(2,3-dihydro-1H-indol-7-yl)propan-1-amine,dihydrochloride
C11H18Cl2N2 (248.08469680000002)
(1S)-1-(2,3-dihydro-1H-indol-7-yl)propan-1-amine,dihydrochloride
C11H18Cl2N2 (248.08469680000002)
5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
1-(3-Methylphenyl)piperazine dihydrochloride
C11H18Cl2N2 (248.08469680000002)
3-(3,4-DIETHOXY-PHENYL)-PROPYLAMINE
C13H16N2OS (248.09832859999997)
ethyl 1-methyl-5-nitroindole-2-carboxylate
C12H12N2O4 (248.07970319999998)
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
C12H12N2O4 (248.07970319999998)
4,6(1H,5H)-Pyrimidinedione,5-ethyldihydro-5-phenyl-2-thioxo-
7H-Pyrido(4,3-c)carbazole, 10-methoxy-
C16H12N2O (248.09495819999998)
EX-527 (S-enantiomer)
(S)-Selisistat ((S)-EX-527) is a potent and selective SIRT1 inhibitor, with an IC50 of 98 nM.
Propanebis(thioic)acid,S1,S3-bis(1,1-dimethylethyl) ester
C11H20O2S2 (248.09046600000002)
(2-ISOPROPOXY-5-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
C10H12BF3O3 (248.08315480000002)
4-(TERT-BUTOXY)-2,3,5,6-TETRAFLUOROSTYRENE
C12H12F4O (248.08242299999998)
2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexene-1-carboxaldehyde
3-ANILINO-2-CYANO-3-MERCAPTOACRYLIC ACID ETHYL ESTER
4-(3-Piperidyl)aniline Dihydrochloride
C11H18Cl2N2 (248.08469680000002)
ETHYL 8-METHOXY-4-OXO-1,4-DIHYDRO-1,5-NAPHTHYRIDINE-3-CARBOXYLATE
C12H12N2O4 (248.07970319999998)
4-(Benzyloxy)-3,5-difluorobenzaldehyde
C14H10F2O2 (248.06488240000002)
Propanedioic acid, 2-[(2E)-3-chloro-2-propen-1-yl]-2-(1-methylethyl)-, 1,3-dimethyl ester
1-(2-methylphenyl)piperazine,dihydrochloride
C11H18Cl2N2 (248.08469680000002)
4-CHLOROCARBONYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-(4-chlorophenyl)-1,3-diazaspiro[4.4]non-1-en-4-one
1,5-DIPHENYL-1H-PYRAZOLE-3-CARBALDEHYDE
C16H12N2O (248.09495819999998)
Tetrahydrouridine
C9H16N2O6 (248.10083160000002)
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2135 - Cytidine Deaminase Inhibitor D009676 - Noxae > D000963 - Antimetabolites
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
C12H12N2O4 (248.07970319999998)
4-(1-pyrrolidinylmethyl)-benzenamine dihydrochloride
C11H18Cl2N2 (248.08469680000002)
2-(3-Bromopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C9H18BBrO2 (248.05831380000004)
1-(4-FLUOROPHENYL)-3-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
3-(3-(PYRIDIN-2-YL)-1,2,4-OXADIAZOL-5-YL)BENZONITRILE
(2-PROPOXY-5-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
C10H12BF3O3 (248.08315480000002)
(4-PROPOXY-2-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
C10H12BF3O3 (248.08315480000002)
(3-ISOPROPOXY-5-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
C10H12BF3O3 (248.08315480000002)
(3-PROPOXY-5-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
C10H12BF3O3 (248.08315480000002)
6-Methylpyridinyl-2-boronic acid MIDA ester
C11H13BN2O4 (248.09683280000002)
Ethyl [3-(trifluoromethyl)phenoxy]acetate
C11H11F3O3 (248.06602519999998)
4-(2,6-DIFLUORO-BENZYLOXY)-BENZALDEHYDE
C14H10F2O2 (248.06488240000002)
(4-TOLYLETHYL)METHYLDICHLOROSILANE
C11H11F3O3 (248.06602519999998)
2-ACETYL-8-CHLORO-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE
THIENO[3,4-B]-1,4-DIOXIN, 2,3-DIHYDRO-5-(4-METHOXYPHENYL)-
1,3-diphenylpyrazole-4-carbaldehyde
C16H12N2O (248.09495819999998)
ETHYL 4-HYDROXY-7-METHYL-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
C12H12N2O4 (248.07970319999998)
3-(6-(Methoxycarbonyl)naphthalen-2-yl)benzoic acid
5-(4-methoxy-2-methylphenyl)thiophene-2-carboxylic acid
2-[(5-Amino-3-methyl-1,2-oxazol-4-yl)sulfanyl]-1-phenylethanone
1-ethyl-3-methylimidazol-3-ium,trifluoro(trifluoromethyl)boranuide
C7H11BF6N2 (248.09194279999997)
5-(Benzyloxy)-1H-indole-3-carbonitrile
C16H12N2O (248.09495819999998)
6-CHLORO-N4-(1-PHENYL-ETHYL)-PYRIMIDINE-4,5-DIAMINE
2-(Methoxycarbonyl)-4-(trifluoromethyl)phenylboronic acid
C9H8BF3O4 (248.04677139999998)
3-(2,5-DIMETHOXYPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
C12H12N2O4 (248.07970319999998)
ETHYL 4-HYDROXY-1-METHYL-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
C12H12N2O4 (248.07970319999998)
(3-Trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetic acid
5-(2-METHOXY-PHENOXYMETHYL)-FURAN-2-CARBOXYLIC ACID
4-(3,3-Difluoroazetidin-1-yl)piperidine dihydrochloride
1-[4-(3-bromopropyl)piperazin-1-yl]ethanone
C9H17BrN2O (248.05241719999998)
Piperazine,1-(4-methylphenyl)-, hydrochloride (1:2)
C11H18Cl2N2 (248.08469680000002)
CYCLOPENTYLMETHYL-PYRIDIN-4-YL-AMINE DIHYDROCHLORIDE
C11H18Cl2N2 (248.08469680000002)
4-[(morpholinothio)thioxomethyl]morpholine
C9H16N2O2S2 (248.06531560000002)
ETHYL 4-METHYL-2-(PYRIDIN-2-YL)THIAZOLE-5-CARBOXYLATE
3-acetamido-5-methoxy-1H-indole-2-carboxylate
C12H12N2O4 (248.07970319999998)
3-(2,5-dioxo-4-phenyl-imidazolidin-4-yl)propanoic acid
C12H12N2O4 (248.07970319999998)
1H-1,2,4-Triazole-3-carboxamide,N-(3,4-dimethoxyphenyl)-(9CI)
Ethyl 6-acetoxy-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
C12H12N2O4 (248.07970319999998)
Topiroxostat
C471 - Enzyme Inhibitor > C1637 - Xanthine Oxidase Inhibitor D004791 - Enzyme Inhibitors
N-phenylpiperidin-4-amine,dihydrochloride
C11H18Cl2N2 (248.08469680000002)
1-Phenyl-4-piperidinamine dihydrochloride
C11H18Cl2N2 (248.08469680000002)
4-piperidin-4-ylmethylpyridine dihydrochloride
C11H18Cl2N2 (248.08469680000002)
[4-(1-Naphthyl)phenyl]boronic acid
C16H13BO2 (248.10085480000004)
2-amino-3-Methyl-3-sulfino-4-(1H-1,2,3-triazol-1-yl)butyric acid
C7H12N4O4S (248.05792319999998)
(S)-3-amino-1-benzylpyrrolidine dihydrochloride
C11H18Cl2N2 (248.08469680000002)
2-((2-Hydroxyethyl)thio)-3-methylnaphthalene-1,4-dione
2,3-Difluoro-6-(phenylmethoxy)benzaldehyde
C14H10F2O2 (248.06488240000002)
2,3-Difluoro-4-formyl-benzyloxybenzene
C14H10F2O2 (248.06488240000002)
ethyl 2-amino-4-(4-pyridinyl)-3-thiophenecarboxylate
1-(4-Methoxy-phenyl)-5-Methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid
C12H12N2O4 (248.07970319999998)
(r)-3-amino-1-benzylpyrrolidine dihydrochloride
C11H18Cl2N2 (248.08469680000002)
1-BENZYL-2-(METHYLSULFANYL)-1H-IMIDAZOLE-5-CARBOXYLIC ACID
4-chloro-6-(methoxymethyl)-2-(3-methylphenyl)pyrimidine
2-(4-AMINO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
7-HYDROXY-4-OXO-8-PROPYL-4H-CHROMENE-2-CARBOXYLIC ACID
1-(3-Chloropropyl)-4-methylpiperazine dihydrochloride
4-amino-2-chloro-5-((trimethylsilyl)ethynyl)benzonitrile
C12H13ClN2Si (248.05364880000002)
5-DIMETHYLAMINO-2-(2-THIAZOLYLAZO)PHENOL
C11H12N4OS (248.07317819999997)
(3-Butoxy-2,4,6-trifluorophenyl)boronic acid
C10H12BF3O3 (248.08315480000002)
[3-(thiophen-2-ylmethoxymethyl)phenyl]boronic acid
C12H13BO3S (248.06784180000002)
[2-(thiophen-2-ylmethoxymethyl)phenyl]boronic acid
C12H13BO3S (248.06784180000002)
Methyl 3-[3-(trifluoromethoxy)phenyl]propanoate
C11H11F3O3 (248.06602519999998)
3-methyl-5-nitro-6-pyridin-4-yl-1H-pyrimidine-2,4-dione
C10H8N4O4 (248.05455279999998)
6-amino-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
C11H12N4OS (248.07317819999997)
5-AMINO-1-(4-NITRO-PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID
C10H8N4O4 (248.05455279999998)
4-(2,6-Dimethylphenoxy)phthalonitrile
C16H12N2O (248.09495819999998)
2-chloro-3-[(2R)-2-methylpiperazin-1-yl]pyrazine,hydrochloride
6-Benzothiazolamine,2-propyl-(9CI)
C12H12N2O4 (248.07970319999998)
3-(2,5-DIOXO-4-PHENYL-IMIDAZOLIDIN-4-YL)PROPIONIC ACID
C12H12N2O4 (248.07970319999998)
2-(4-(Dimethylamino)phenyl)thiazole-4-carboxylic acid
(3,4-DIFLUOROPHENYL)(4-(HYDROXYMETHYL)PHENYL)METHANONE
C14H10F2O2 (248.06488240000002)
1,2,5,6-TETRAHYDRO-6-(2-HYDROXYPHENYL)-4-METHYL-2-OXO-5-PYRIMIDINECARBOXYLIC ACID
C12H12N2O4 (248.07970319999998)
methyl 4-(4-fluorophenyl)-2,5-dimethylfuran-3-carboxylate
[6-(4-chloroanilino)pyridin-3-yl]boronic acid
C11H10BClN2O2 (248.05238200000002)
(S)-BENZYL 2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLATE
C12H12N2O4 (248.07970319999998)
Triethyloxonium hexafluorophosphate(1-)
C6H15F6OP (248.07646619999997)
a-D-Xylofuranose,1,2-O-(1-methylethylidene)-, 5-(methyl carbonate) (9CI)
(Z)-7-[(1R,2R,3R,5S)-5-ACETOXY-2-FORMYL-3-(TETRAHYDRO-PYRAN-2-YLOXY)-CYCLOPENTYL]-HEPT-5-ENOICACIDMETHYLESTER
C12H12N2O4 (248.07970319999998)
(9-OXO-4,5,6,7,8,9-HEXAHYDRO-[1,2,4]TRIAZOLO-[5,1-B]QUINAZOLIN-2-YL)-ACETIC ACID
4-(NAPHTHALEN-1-YL)PHENYLBORONIC ACID
C16H13BO2 (248.10085480000004)
(2-(METHOXYCARBONYL)-3-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
C9H8BF3O4 (248.04677139999998)
(2-(METHOXYCARBONYL)-5-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID
C9H8BF3O4 (248.04677139999998)
ETHYL 4-METHYL-2-(PYRIDIN-4-YL)THIAZOLE-5-CARBOXYLATE
2-Benzylpiperazine dihydrochloride
C11H18Cl2N2 (248.08469680000002)
beta-[3-(2-Naphthalenyl)phenyl]boronic acid
C16H13BO2 (248.10085480000004)
[2-(2-Naphthyl)phenyl]boronic acid
C16H13BO2 (248.10085480000004)
ethyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
C12H12N2O4 (248.07970319999998)
1-(2,4-Dihydroxy-3-(trifluoromethyl)phenyl)-2-methylpropan-1-one
C11H11F3O3 (248.06602519999998)
1,2,3,4-TETRAHYDRO-4-(P-HYDROXYPHENYL)-6-METHYL-2-OXO-5-PYRIMIDINECARBOXYLIC ACID
C12H12N2O4 (248.07970319999998)
Censavudine
C12H12N2O4 (248.07970319999998)
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent
S-Ethyl-N-[4-(trifluoromethyl)phenyl]isothiourea
C10H11F3N2S (248.05950019999997)
N-[3-(2-amino-1-hydroxyethyl)-4-fluorophenyl]methanesulfonamide
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]guanidine
C11H12N4OS (248.07317819999997)
(R)-6-Chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
(R)-Selisistat ((R)-EX-527) is a R-enantiomer of Selisistat. Selisistat (EX-527) is a potent and selective SIRT1 inhibitor with IC50 of 98 nM.
4-[2-(2,4-Dioxopentan-3-ylidene)hydrazinyl]benzoic acid
C12H12N2O4 (248.07970319999998)
N-(4-fluorophenyl)carbamic acid (2-oxo-1H-pyridin-3-yl) ester
C12H9FN2O3 (248.05971759999997)
2-(1-Methoxy-2-(naphthalen-1-yl)ethylidene)malononitrile
C16H12N2O (248.09495819999998)
2,2-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
C13H16N2OS (248.09832859999997)
4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 9-hydroxy-4-oxo-, ethyl ester
C12H12N2O4 (248.07970319999998)
(5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
Tryptanthrin
Tryptanthrin is an indole quinazoline that could be an alkaloid from indigo-bearing plants. Tryptanthrin is a potent and orally active cellular Leukotriene (LT) biosynthesis inhibitor. Tryptanthrin has anticancer activity. Tryptanthrin suppresses the expression levels of NOS1, COX-2, and NF-κB and regulates the expression levels of IL-2, IL-10, and TNF-α[1][2]. Tryptanthrin is an indole quinazoline that could be an alkaloid from indigo-bearing plants. Tryptanthrin is a potent and orally active cellular Leukotriene (LT) biosynthesis inhibitor. Tryptanthrin has anticancer activity. Tryptanthrin suppresses the expression levels of NOS1, COX-2, and NF-κB and regulates the expression levels of IL-2, IL-10, and TNF-α[1][2].
2(1H)-pyrimidinone, tetrahydro-4-hydroxy-1-beta-D-ribofuranosyl-
C9H16N2O6 (248.10083160000002)
D009676 - Noxae > D000963 - Antimetabolites
N-(6-methoxy-3-pyridinyl)-3-methyl-2-thiophenecarboxamide
5-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]-1H-pyrazole-3-carboxamide
C11H12N4OS (248.07317819999997)
2-[fluoro(trifluoromethoxy)methyl]-6-methyl-1H-benzimidazole
C10H8F4N2O (248.05727259999998)
5-(Dimethylaminomethylidene)-3-phenyl-1,3-thiazolidine-2,4-dione
6-methyl-2-[2-[(3-methyl-2-thiophenyl)methylidene]hydrazinyl]-1H-pyrimidin-4-one
C11H12N4OS (248.07317819999997)
1H-Indole-2,3-dione, 1-(trimethylsilyl)-, 3-(O-methyloxime)
4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 6-hydroxy-4-oxo-, ethyl ester
C12H12N2O4 (248.07970319999998)
pyridoxamine phosphate
C8H13N2O5P (248.05620580000001)
A vitamin B6 phosphate that is the phosphoric ester derivative of pyridoxamine.
5-Hydroxyindoleacetylglycine
C12H12N2O4 (248.07970319999998)
An N-acylglycine resulting from the formal condensation of the carboxy group of (5-hydroxyindol-3-yl)acetic acid with the amino group of glycine.
7,8-Dihydropyrene-7-carboxylate
A member of the class of pyrenes that is 1,2-dihydropyrene substituted by a carboxy group at position 2.
4-Hydroxyphenobarbital
C12H12N2O4 (248.07970319999998)
THR-Glu
C9H16N2O6 (248.10083160000002)
A dipeptide formed from L-threonine and L-glutamic acid residues.
β-Aspartylaspartic acid
β-Aspartylaspartic acid is a natural compound found in Asparagus (Asparagus officinalis) Shoots[1].
L-gamma-Glu-L-THR
C9H16N2O6 (248.10083160000002)
A dipeptide obtained by formal condensation of the side-chain carboxy group of L-glutamic acid with the amino group of L-threonnine.
6-(2,4-dihydroxy-6-methylphenyl)-4-methoxypyran-2-one
8,9-dihydroxy-2-methyl-2h,3h,5h-pyrano[3,2-c]chromen-4-one
(2r)-2-({[(2s)-2-amino-1-hydroxy-3-methylbutylidene]amino}oxy)butanedioic acid
C9H16N2O6 (248.10083160000002)
(1s,4'r)-4',5-dihydroxy-2,3-dihydrospiro[naphthalene-1,2'-oxolane]-4,5'-dione
3,12-diazatetracyclo[8.7.0.0²,⁸.0¹¹,¹⁵]heptadeca-1,5,7,10,12,14,16-heptaene-4,9-dione
(e)-5,5'-diamino-2,2'-dihydroxy-[3,3'-bipyridinylidene]-6,6'-dione
C10H8N4O4 (248.05455279999998)
5-methyl-10h-indolo[3,2-b]quinolin-11-one
C16H12N2O (248.09495819999998)
4-acetyl-8-hydroxy-6-methoxy-5-methylisochromen-1-one
6-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid
anticancer alkaloid pmv70p691-050
C16H12N2O (248.09495819999998)
{"Ingredient_id": "HBIN016308","Ingredient_name": "anticancer alkaloid pmv70p691-050","Alias": "NA","Ingredient_formula": "C16H12N2O","Ingredient_Smile": "COC1=C2C(=NC3=CC=CC=C31)C4=CC=CC=C4N2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1380","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-hydroxy-4,5-dimethoxynaphthalene-2-carboxylic acid
1,3,8-trihydroxy-6-methyl-1h,2h,3h-cyclopenta[b]chromen-9-one
3,12-diazatetracyclo[8.7.0.0²,⁸.0¹¹,¹⁵]heptadeca-1(17),2,5,7,10,13,15-heptaene-4,9-dione
6-hydroxy-3-methylidene-10-(prop-1-en-1-yl)-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione
5-methylindolo[3,2-b]quinolin-11-ol
C16H12N2O (248.09495819999998)
7-hydroxy-2-(hydroxymethyl)-5-(2-oxopropyl)chromen-4-one
methyl 2-[2-(methylamino)phenyl]-1,3-thiazole-4-carboxylate
(5s,6s,10r)-6-hydroxy-3-methylidene-10-[(1e)-prop-1-en-1-yl]-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione
n-[2-(1h-indol-3-yl)ethyl]-n-methylmethylsulfanylformamide
C13H16N2OS (248.09832859999997)
(2e)-2-methyl-3-[(2s,3s,5r,6s)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-enoic acid
11-methoxy-10h-indolo[3,2-b]quinoline
C16H12N2O (248.09495819999998)
(2s)-2-{[(2s)-2-amino-3-carboxy-1-hydroxypropylidene]amino}butanedioic acid
(3s,6s,7r)-11-hydroxy-8-oxo-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(13),9,11-triene-6-carboxylic acid
6,8-dihydroxy-4,7-dimethyl-3-methylidene-1-oxo-4h-2-benzopyran-5-carbaldehyde
5,8-dihydroxy-2,2-dimethyl-8h-furo[3,4-g]chromen-6-one
(3r,6r,7s)-11-hydroxy-8-oxo-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(13),9,11-triene-6-carboxylic acid
11-methoxy-5h-indolo[3,2-b]quinoline
C16H12N2O (248.09495819999998)
5'-amino-2,2',6'-trihydroxy-5-imino-[3,3'-bipyridin]-6-one
C10H8N4O4 (248.05455279999998)
(3ar,4r,6ar)-4-(2h-1,3-benzodioxol-5-yl)-tetrahydro-3h-furo[3,4-c]furan-1-one
(5s,6s,10s)-6-hydroxy-3-methylidene-10-[(1e)-prop-1-en-1-yl]-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione
5-hydroxy-2,7-dimethoxy-6-methylnaphthalene-1,4-dione
3-hydroxy-5,6-dimethoxy-2-methylnaphthalene-1,4-dione
7-formyl-5-hydroxy-2,2-dimethylchromene-6-carboxylic acid
2-hydroxy-6,7-dimethoxy-3-methylnaphthalene-1,4-dione
5-hydroxy-4,6-dimethoxynaphthalene-2-carboxylic acid
2-methyl-3-[(2s,3s,5r,6s)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-enoic acid
11-hydroxy-8,16-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,11,13,15-octaen-10-one
(3ar,4s,6ar)-4-(2h-1,3-benzodioxol-5-yl)-tetrahydro-3h-furo[3,4-c]furan-1-one
(1s,3r)-1,3,8-trihydroxy-6-methyl-1h,2h,3h-cyclopenta[b]chromen-9-one
methyl 5-(5-hydroxy-2-methoxyphenyl)furan-3-carboxylate
(5r,6r,7s,8s)-6,7,8-trihydroxy-5-(hydroxymethyl)-octahydroimidazo[1,2-a]pyridine-2-carboxylic acid
C9H16N2O6 (248.10083160000002)
(2s,4r)-2-(1h-indol-3-yl)-1,3-thiazolidine-4-carboxylic acid
4',5-dihydroxy-2,3-dihydrospiro[naphthalene-1,2'-oxolane]-4,5'-dione
(4s)-4-amino-4-{[(1s,2r)-1-carboxy-2-hydroxypropyl]-c-hydroxycarbonimidoyl}butanoic acid
C9H16N2O6 (248.10083160000002)
(2r)-2-(2-butoxy-2-oxoethyl)-2-hydroxybutanedioic acid
7-acetyl-6-hydroxy-3-(propan-2-ylidene)-1,4-benzodioxin-2-one
5-hydroxy-2,7-dimethoxy-8-methylnaphthalene-1,4-dione
11-hydroxy-8-oxo-2-oxatricyclo[7.4.0.0³,⁷]trideca-1(13),9,11-triene-6-carboxylic acid
(12s,13r)-13-hydroxy-8-methoxy-12-methyl-4,11-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5,7-tetraen-10-one
4-(2h-1,3-benzodioxol-5-yl)-tetrahydro-3h-furo[3,4-c]furan-1-one
2-{2-[5-(prop-1-yn-1-yl)thiophen-2-yl]ethenyl}oxan-3-ol
4-amino-7-methoxy-2,6-dimethylisoquinoline-3,5,8-trione
C12H12N2O4 (248.07970319999998)