Exact Mass: 384.1608312
Exact Mass Matches: 384.1608312
Found 500 metabolites which its exact mass value is equals to given mass value 384.1608312,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Macrozamin
Macrozamin is a glycoside. (Z)-methyl-oxido-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethylimino]ammonium is a natural product found in Macrozamia communis, Dioon spinulosum, and other organisms with data available. Macrozamin is a major constituent principle of Cycads. Macrozamin has carcinogenic, mutagenic, teratogenic and neurotoxic properties[1].
S-adenosylhomocysteine (SAH)
C14H20N6O5S (384.12158300000004)
S-Adenosyl-L-homocysteine (SAH) is formed by the demethylation of S-adenosyl-L-methionine. S-Adenosylhomocysteine (AdoHcy or SAH) is also the immediate precursor of all of the homocysteine produced in the body. The reaction is catalyzed by S-adenosylhomocysteine hydrolase and is reversible with the equilibrium favoring formation of SAH. In vivo, the reaction is driven in the direction of homocysteine formation by the action of the enzyme adenosine deaminase which converts the second product of the S-adenosylhomocysteine hydrolase reaction, adenosine, to inosine. Except for methyl transfer from betaine and from methylcobalamin in the methionine synthase reaction, SAH is the product of all methylation reactions that involve S-adenosylmethionine (SAM) as the methyl donor. Methylation is significant in epigenetic regulation of protein expression via DNA and histone methylation. The inhibition of these SAM-mediated processes by SAH is a proven mechanism for metabolic alteration. Because the conversion of SAH to homocysteine is reversible, with the equilibrium favoring the formation of SAH, increases in plasma homocysteine are accompanied by an elevation of SAH in most cases. Disturbances in the transmethylation pathway indicated by abnormal SAH, SAM, or their ratio have been reported in many neurodegenerative diseases, such as dementia, depression, and Parkinsons disease (PMID:18065573, 17892439). Therefore, when present in sufficiently high levels, S-adenosylhomocysteine can act as an immunotoxin and a metabotoxin. An immunotoxin disrupts, limits the function, or destroys immune cells. A metabotoxin is an endogenous metabolite that causes adverse health effects at chronically high levels. Chronically high levels of S-adenosylhomocysteine are associated with S-adenosylhomocysteine (SAH) hydrolase deficiency and adenosine deaminase deficiency. S-Adenosylhomocysteine forms when there are elevated levels of homocysteine and adenosine. S-Adenosyl-L-homocysteine is a potent inhibitor of S-adenosyl-L-methionine-dependent methylation reactions. It is toxic to immature lymphocytes and can lead to immunosuppression (PMID:221926). S-adenosylhomocysteine, also known as adohcy or sah, is a member of the class of compounds known as 5-deoxy-5-thionucleosides. 5-deoxy-5-thionucleosides are 5-deoxyribonucleosides in which the ribose is thio-substituted at the 5position by a S-alkyl group. S-adenosylhomocysteine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). S-adenosylhomocysteine can be found in a number of food items such as rapini, european plum, rambutan, and pepper (c. pubescens), which makes S-adenosylhomocysteine a potential biomarker for the consumption of these food products. S-adenosylhomocysteine can be found primarily in blood, cerebrospinal fluid (CSF), feces, and urine, as well as throughout most human tissues. S-adenosylhomocysteine exists in all living species, ranging from bacteria to humans. In humans, S-adenosylhomocysteine is involved in several metabolic pathways, some of which include phosphatidylcholine biosynthesis PC(14:0/18:3(9Z,12Z,15Z)), phosphatidylcholine biosynthesis PC(22:4(7Z,10Z,13Z,16Z)/22:0), phosphatidylcholine biosynthesis PC(20:3(5Z,8Z,11Z)/22:2(13Z,16Z)), and phosphatidylcholine biosynthesis PC(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)). S-adenosylhomocysteine is also involved in several metabolic disorders, some of which include 3-phosphoglycerate dehydrogenase deficiency, hawkinsinuria, non ketotic hyperglycinemia, and tyrosine hydroxylase deficiency. Moreover, S-adenosylhomocysteine is found to be associated with neurodegenerative disease and parkinsons disease. S-adenosylhomocysteine is a non-carcinogenic (not listed by IARC) potentially toxic compound. S-Adenosyl-L-homocysteine (SAH) is an amino acid derivative used in several metabolic pathways in most organisms. It is an intermediate in the synthesis of cysteine and adenosine . [Spectral] S-Adenosyl-L-homocysteine (exact mass = 384.12159) and Adenosine (exact mass = 267.09675) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. [Spectral] S-Adenosyl-L-homocysteine (exact mass = 384.12159) and Cytidine (exact mass = 243.08552) were not completely separated on HPLC under the present analytical conditions as described in AC$XXX. Additionally some of the peaks in this data contains dimers and other unidentified ions. Acquisition and generation of the data is financially supported in part by CREST/JST. COVID info from PDB, Protein Data Bank, WikiPathways Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS SAH (S-Adenosylhomocysteine) is an amino acid derivative and a modulartor in several metabolic pathways. It is an intermediate in the synthesis of cysteine and adenosine[1]. SAH is an inhibitor for METTL3-METTL14 heterodimer complex (METTL3-14) with an IC50 of 0.9 μM[2]. SAH (S-Adenosylhomocysteine) is an amino acid derivative and a modulartor in several metabolic pathways. It is an intermediate in the synthesis of cysteine and adenosine[1]. SAH is an inhibitor for METTL3-METTL14 heterodimer complex (METTL3-14) with an IC50 of 0.9 μM[2].
4-Demethyldeoxypodophyllotoxin
wuweizisu C
schisandrin C is a natural product found in Schisandra sphenanthera and Schisandra chinensis with data available. Schisandrin C (Schizandrin-C) is a phytochemical lignan isolated from Schizandra chinensis[1]. Schisandrin C has diverse biological activities, including anticancer, anti-inflammatory?and antioxidant effects. Schisandrin C is a molecular glue. Schisandrin C can be used for cancer, alzheimer’s disease, and liver diseases?research[2][3]. Schisandrin C induces cell apoptosis[1]. Schisandrin C (Schizandrin-C) is a phytochemical lignan isolated from Schizandra chinensis[1]. Schisandrin C has diverse biological activities, including anticancer, anti-inflammatory?and antioxidant effects. Schisandrin C is a molecular glue. Schisandrin C can be used for cancer, alzheimer’s disease, and liver diseases?research[2][3]. Schisandrin C induces cell apoptosis[1].
Roxatidine acetate hydrochloride
C19H29ClN2O4 (384.18157440000004)
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists Roxatidine Acetate Hydrochloride is a potent, selective, competitive and orally active histamine H2-receptor antagonist. Roxatidine Acetate Hydrochloride has antisecretory potency against gastric acid secretion. Roxatidine Acetate Hydrochloride can also suppress inflammatory responses and can be used for gastric and duodenal ulcers research. Roxatidine Acetate Hydrochloride has antitumor activity[1][2][3].
1,3,3-tri-O-methyl-4alpha-mannobiose
C15H28O11 (384.16315380000003)
Artesunate
Artesunate is an artemisinin derivative that is the hemisuccinate ester of the lactol resulting from the reduction of the lactone carbonyl group of artemisinin. It is used, generally as the sodium salt, for the treatment of malaria. It has a role as an antimalarial, a ferroptosis inducer and an antineoplastic agent. It is an artemisinin derivative, a sesquiterpenoid, a dicarboxylic acid monoester, a cyclic acetal, a semisynthetic derivative and a hemisuccinate. Artesunate is indicated for the initial treatment of severe malaria. The World Health Organization recommends artesunate as first line treatment for severe malaria. Artesunate was developed out of a need for a more hydrophilic derivative of [artemisinin]. Artesunate was granted FDA approval on 26 May 2020. Artesunic acid is a natural product found in Artemisia apiacea, Acronychia pubescens, and Artemisia carvifolia with data available. Artesunate is a water-soluble, semi-synthetic derivative of the sesquiterpine lactone artemisinin with anti-malarial, anti-schistosomiasis, antiviral, and potential anti-neoplastic activities. Upon hydrolysis of artesunates active endoperoxide bridge moiety by liberated heme in parasite-infected red blood cells, reactive oxygen species and carbon-centered radicals form, which have been shown to damage and kill parasitic organisms. Additionally, in vitro studies demonstrate that this agent induces DNA breakage in a dose-dependent manner. Artesunate has also been shown to stimulate cell differentiation, arrest the cell cycle in the G1 and G2/M phases, inhibit cell proliferation, and induce apoptosis through mitochondrial and caspase signaling pathways. Artemisinin is isolated from the plant Artemisia annua. artesunate is a mineral. A water-soluble, semi-synthetic derivative of the sesquiterpene lactone artemisinin with anti-malarial, anti-schistosomiasis, antiviral, and potential anti-neoplastic activities Artesunate is part of the artemisinin group of drugs that treat malaria. It is a semi-synthetic derivative of artemisinin that is water-soluble and may, therefore, be given by injection. It is on the World Health Organizations List of Essential Medicines, the most effective and safe medicines needed in a health system (DrugBank). P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BE - Artemisinin and derivatives, plain D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides D000970 - Antineoplastic Agents Artesunate is an inhibitor of both STAT-3 and exported protein 1 (EXP1). Artesunate is an inhibitor of both STAT-3 and exported protein 1 (EXP1).
Licopyranocoumarin
Licopyranocoumarin is an isoflavonoid and an organic hydroxy compound. Licopyranocoumarin is a natural product found in Glycyrrhiza and Glycyrrhiza uralensis with data available. See also: Glycyrrhiza Glabra (part of). Licopyranocoumarin is found in herbs and spices. Licopyranocoumarin is isolated from Glycyrrhiza sp. Isolated from Glycyrrhiza species Licopyranocoumarin is found in herbs and spices.
(+)-Zeylenol
(+)-Zeylenol is found in herbs and spices. (+)-Zeylenol is a constituent of Piper cubeba (cubeb pepper)
Piperenol B
Piperenol B is found in herbs and spices. Piperenol B is isolated from Piper cubeba (cubeb pepper). Isolated from Piper cubeba (cubeb pepper). Piperenol B is found in herbs and spices.
Dulxanthone F
Dulxanthone F is found in fruits. Dulxanthone F is a constituent of Garcinia dulcis (mundu) Constituent of Garcinia dulcis (mundu). Dulxanthone F is found in fruits.
O-Ethylcubebin
O-Ethylcubebin is found in herbs and spices. O-Ethylcubebin is a constituent of Piper cubeba (cubeb pepper). Constituent of Piper cubeba (cubeb pepper). O-Ethylcubebin is found in herbs and spices.
Piperenol A
Piperenol A is found in herbs and spices. Piperenol A is isolated from Piper cubeba (cubeb pepper). Isolated from Piper cubeba (cubeb pepper). Piperenol A is found in herbs and spices.
3'-O-Methylgancaonin P
3-O-Methylgancaonin P is found in herbs and spices. 3-O-Methylgancaonin P is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). 3-Methylgancaonin P is found in herbs and spices.
Kanzonol N
Kanzonol N is found in herbs and spices. Kanzonol N is a constituent of the roots of Glycyrrhiza uralensis (Chinese licorice). Constituent of the roots of Glycyrrhiza uralensis (Chinese licorice). Kanzonol N is found in herbs and spices.
(6beta,7alpha,12beta,13beta)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide
(6beta,7beta,12beta,13beta)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide is found in herbs and spices. (6beta,7beta,12beta,13beta)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide is isolated from sage. Isolated from sage. (6beta,7alpha,12beta,13beta)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide is found in herbs and spices.
2,3-Butanediol apiosylglucoside
C15H28O11 (384.16315380000003)
2,3-Butanediol apiosylglucoside is found in herbs and spices. 2,3-Butanediol apiosylglucoside is a constituent of fennel (Foeniculum vulgare). Constituent of fennel (Foeniculum vulgare). 2,3-Butanediol apiosylglucoside is found in herbs and spices.
Armillarivin
Armillarivin is found in mushrooms. Armillarivin is a metabolite of Armillaria mellea (honey mushroom). Metabolite of Armillaria mellea (honey mushroom). Armillarivin is found in mushrooms.
Bortezomib
C19H25BN4O4 (384.19687600000003)
Bortezomib (originally PS-341 and marketed as Velcade by Millennium Pharmaceuticals) is the first therapeutic proteasome inhibitor to be tested in humans. It is approved in the U.S. for treating relapsed multiple myeloma and mantle cell lymphoma. In multiple myeloma, complete clinical responses have been obtained in patients with otherwise refractory or rapidly advancing disease. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XG - Proteasome inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2160 - Proteasome Inhibitor D000970 - Antineoplastic Agents C471 - Enzyme Inhibitor
5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone
5,7-Dihydroxy-3,4-dimethoxy-5-prenylflavanone is found in herbs and spices. 5,7-Dihydroxy-3,4-dimethoxy-5-prenylflavanone is a constituent of Melilotus alba (white melilot). Constituent of Melilotus alba (white melilot). 5,7-Dihydroxy-3,4-dimethoxy-5-prenylflavanone is found in herbs and spices and pulses.
Glicoisoflavanone
Glicoisoflavanone is found in herbs and spices. Glicoisoflavanone is a constituent of Glycyrrhiza uralensis (Chinese licorice) Constituent of Glycyrrhiza uralensis (Chinese licorice). Glicoisoflavanone is found in herbs and spices.
12-Dehydroporson
12-Dehydroporson is found in herbs and spices. 12-Dehydroporson is a constituent of Myrica gale (bog myrtle).
16alpha-Hydroxy DHEA 3-sulfate
C19H28O6S (384.16065080000004)
16alpha-Hydroxy DHEA 3-sulfate (16α-OH-DHEAS), also known as 3beta,16alpha-Dihydroxyandrostenone sulfate, belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. 16alpha-Hydroxy DHEA 3-sulfate originates mainly from the fetus and is a precursor for placental estriol biosynthesis (PMID: 24717977). 16alpha-Hydroxy DHEA 3-sulfate is a normal human metabolite identified in the placenta and breast milk of pregnant women. The size of the neonates adrenal glands is in direct relation to the levels of 16alpha-Hydroxy DHEA 3-sulfate in pregnancy (PMID: 2963083, 2974194, 6216072, 6220027, 6220952, 6445373).
1-(2-(4-Morpholinyl)ethyl)-3-(1-naphthoyl) indole
C25H24N2O2 (384.18376839999996)
16beta-OH-Dhea sulfate
C19H28O6S (384.16065080000004)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
4-(4-(Benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide
C22H16N4O3 (384.12223459999996)
4-(2-(1-(4-Chlorocinnamyl)piperazin-4-yl)ethyl)benzoate
Elafibranor
C22H24O4S (384.13952240000003)
Istradefylline
[(2S,3As,7aS)-Octahydro-1-[[(1R,2R)-2-phenylcyclopropyl]carbonyl]-1H-indol-2-yl]-3-thiazolidinyl--methanone
beta-Alanine, N-(N-(1-carboxy-2-phenylethyl)-L-phenylalanyl)-, (S)-
[(3S,8R,9S,10R,13S,14S)-16-Hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
C19H28O6S (384.16065080000004)
1,5-Dihydroxy-4,8-bis[2-(methylamino)ethylamino]anthracene-9,10-dione
(2S)-2-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]-4-sulfanylbutanoic acid
C14H20N6O5S (384.12158300000004)
Schiff base
C19H24N6O3 (384.19097939999995)
schisandrin C
A polyphenol metabolite detected in biological fluids [PhenolExplorer]
UVA-1
C22H16N4O3 (384.12223459999996)
AC1L9DW8
Wuweizisu C is a tannin. Schizandrin C is a natural product found in Kadsura heteroclita, Schisandra bicolor, and other organisms with data available. See also: Schisandra chinensis fruit (part of). Schisandrin C (Schizandrin-C) is a phytochemical lignan isolated from Schizandra chinensis[1]. Schisandrin C has diverse biological activities, including anticancer, anti-inflammatory?and antioxidant effects. Schisandrin C is a molecular glue. Schisandrin C can be used for cancer, alzheimer’s disease, and liver diseases?research[2][3]. Schisandrin C induces cell apoptosis[1]. Schisandrin C (Schizandrin-C) is a phytochemical lignan isolated from Schizandra chinensis[1]. Schisandrin C has diverse biological activities, including anticancer, anti-inflammatory?and antioxidant effects. Schisandrin C is a molecular glue. Schisandrin C can be used for cancer, alzheimer’s disease, and liver diseases?research[2][3]. Schisandrin C induces cell apoptosis[1].
Laccaridione A
An organic heterotricyclic compound that is 1H-benzo[g]isochromene-8,9-dione substituted by a hydroxy group at position 10, methoxy groups at positions 1 and 7 and a 4-methylhex-2-en-2-yl group at position 3. Isolated from the stem of the fruiting bodies of the basidiomycete strain Laccaria amethystea, it exhibits inhibitory activity against proteases.
2-Methyl-9b-(1H-indole-3-yl)-2,4a,5-triaza-1,2,3,4,4a,4b,5,9b-octahydroindeno[2,1-a]indene-1,3,4-trione
C22H16N4O3 (384.12223459999996)
12-dehydroporson
Dodecamethylpentasiloxane
An organosiloxane that is pentasiloxane in which all the hydrogens have been replaced by methyl groups. Metabolite observed in cancer metabolism.
5-Chloro-3-[(1E)-3,4-dihydroxy-3,5-dimethyl-1-hepten-1-yl]-7,8-dihydroxy-7-methyl-7,8-dihydro-6H-isochromen-6-one
2-Pyrrolidinecarboxamide, N-(2-benzoylphenyl)-1-(phenylmethyl)-
C25H24N2O2 (384.18376839999996)
4MeC13SPC
Literature spectrum; CONFIDENCE Identification confirmed with Reference Standard (Level 1); Digitised from figure: approximate intensities
Glicoisoflavanone
(1R*,3S*,4S*,5R*,8S*,9S*,12R*,13S*,14S*)-8-bromo-5,9-dimethyl-13-(1-methylethyl)tetracyclo[10.2.1.0(3,12).0(4,9)]pentadecane-5,14-diol|(3S*)-3-hydroxy-1-deoxybromotetrasphaerol
1beta,6alpha-dihydroxy-8alpha-(3-hydroxy-isobutanoyloxy)-11-carboxymethyl-eudesm-11(13)-en-4-one
10-hydroxy-19alpha-methyl-2-oxo-(7alphaC2,20alpha)-formosanane-16-carboxylic acid methyl ester|Rumberin|rumberine
rel-(7S,8S,1R,5R,6S)-Delta2,8-6-acetoxy-4-methoxy-3,4-methylenedioxy-4-oxo-8,1,7.5-neolignan
11-methoxy-16-hydroxyalstonal|16-hydroxy-N(4)-demethylalstophyllal oxindole
11-methoxy-19-oxo-20alpha-hydroxyakuammicine|lagumidine
1-(2-Hydroxy-6-methoxyphenyl)-9-(1,3-benzodioxol-5-yl)nonan-1-one
Androst-5-en-17-one,7-hydroxy-3-(sulfooxy)-,(3|A,7|A)-(9CI)
C19H28O6S (384.16065080000004)
3,4,3,4-Tetramethoxy-Delta7,8-9-oxo-8.8,9.O.9-lignan|Tetra-Me ether-3,3,4,4-Tetrahydroxylign-7-en-9,9-olide
(S)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one|glovanon
3-deoxy-5-o-alpha-L-rhamnopyranosyl-D-manno-2-octulopyrosonic acid|alpha-L-rhamnopyranosido-(1<*>5)-D-3-deoxy-D-manno-2-octulosonic acid|alpha-L-rhamnopyranosido-(1[*]5)-D-3-deoxy-D-manno-2-octulosonic acid
Lehualide H
A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by methoxy groups at positions 3 and 4, a methyl group at position 5 and a 10-(acetylsulfanyl)decyl group at position 6. Isolated from the marine sponge of the genus Plakortis, it exhibits cytotoxicity against human promyeloid leukemic HL-60 cells.
(4bR*,5S*,8R*,8aR*,10aS*,11S*)-8-bromododecahydro-5,8a-dimethyl-11-(1-methylethyl)-1H-3,10a-methanophenanthrene-2,5-diol|ioniol II
(1R*,3R*,4R*,4aR*,4bR*,5S*,8R*,8aR*,10aR*)-8-bromododecahydro-5,8a-dimethyl-1-(1-methylethyl)-1H-4,10a-methanophenanthrene-3,5-diol|ioniol I
4-methoxy-9-[[(2E,5E)-7-hydroxy-3,7-dimethyl-2,5-octadien-1-yl]oxy]-7H-furo-[3,2-g][1]benzopyran-7-one|melicotriphyllin A
4-methoxy-9-[[(2E)-6-hydroxy-3,7-dimethyl-2,7-octadien-1-yl]oxy]-7H-furo[3,2-g][1]benzopyran-7-one|melicotriphyllin C
(9S,9aR)-9-hydroxy-9a-methyl-3-octanoyl-6-((E)-prop-1-enyl)-9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one|monaphilol A
(S)-5,7-dihydroxy-2,4-dimethoxy-3-(3-methylbut-2-enyl)isoflavanone|(S)-platyisoflavanone A
1-[8-hydroxy-5-methoxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-4-methylpent-3-enyl angenyloate
(-)-4-hydroxybenzoicacid-4-O-[6-O-((2R)-methylbutyryl)-beta-D-glucopyranoside]
(6aS,11aS)-1,9-dimethoxy-2-(3-methylbut-2-ene-1-yl)-6a,11a-dihydro-6H-benzofuro[3,2-c]chromene-3,6a-diol
(1S,3R,5R,7aR)-4-[(acetoxy)methyl]-1,3,5,7a-tetrahydro-7-(hydroxymethyl)-3,5-dimethoxycyclopenta[c]pyran-1-yl 3-methylbutanoate|jatairidoids A
(E)-3-(3,5-dimethoxy-4-phenylpropionyloxyphenyl)prop-2-enol acetate|dichrocephol D
5-beta-D-glucopyranosyloxy-7-hydroxy-2-isopropylchromanone
(2R,3S)-2-(3,4-dihydroxyphenyl)-3-acetylamino-7-(N-acetyl-2-aminoethylene)-1,4-benzodioxane
7alpha-hydroxy-11,16-diketo-apian-8,14(15)-dien-(20,6)-olide
(1R,2S,4S)-2-bromo-4-(5-hydroxy-1,5,9-trimethyldeca-1,3,8-trienyl)-1-methylcyclohexanol|rogioldiol D
2,6-dihydroxy-4-[(E)-7-hydroxy-3,7-dimethylocta-2-enyloxy]benzophenone
3-O-acetyl-4,5-O-(3-methylvaleryl)-and propionylshikimic acid methyl ester|3-O-acetyl-4,5-O-<3-methylvaleryl>-and propionylshikimic acid methyl ester
(S)-1-(8-hydroxy-5-methoxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-methylpent-3-enyl 3-methylbut-2-enoate|5-methoxy-beta,beta-dimethylacrylalkannin|5-O-methyl-11-O-(beta,beta-dimethylacryl)alkannin
deoxyanhydro-4-isopodophyllol|Deoxyanhydropodophyllol
(5S,6S,7R)-5,6,7,8-tetrahydro-4-methoxy-5-(7-methoxy-1,3-benzodioxol-5-yl)-6,7-dimethylnaphtho[2,3-d][1,3]dioxole|kadsurindutin C
O-(4-Methoxybenzoyl)-2alpha-2-Hydroxy-1(10)-oplopene-4,9-dione
Enalaprilat Dihydrate
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
Roxatidine acetate HCl
C19H29ClN2O4 (384.18157440000004)
Roxatidine Acetate Hydrochloride is a potent, selective, competitive and orally active histamine H2-receptor antagonist. Roxatidine Acetate Hydrochloride has antisecretory potency against gastric acid secretion. Roxatidine Acetate Hydrochloride can also suppress inflammatory responses and can be used for gastric and duodenal ulcers research. Roxatidine Acetate Hydrochloride has antitumor activity[1][2][3].
Artesunate
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BE - Artemisinin and derivatives, plain D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents Artesunate is an inhibitor of both STAT-3 and exported protein 1 (EXP1). Artesunate is an inhibitor of both STAT-3 and exported protein 1 (EXP1).
S-(5-Adenosyl)-L-homocysteine
C14H20N6O5S (384.12158300000004)
SAH (S-Adenosylhomocysteine) is an amino acid derivative and a modulartor in several metabolic pathways. It is an intermediate in the synthesis of cysteine and adenosine[1]. SAH is an inhibitor for METTL3-METTL14 heterodimer complex (METTL3-14) with an IC50 of 0.9 μM[2]. SAH (S-Adenosylhomocysteine) is an amino acid derivative and a modulartor in several metabolic pathways. It is an intermediate in the synthesis of cysteine and adenosine[1]. SAH is an inhibitor for METTL3-METTL14 heterodimer complex (METTL3-14) with an IC50 of 0.9 μM[2].
S-Adenosyl-L-homocysteine
C14H20N6O5S (384.12158300000004)
An organic sulfide that is the S-adenosyl derivative of L-homocysteine. COVID info from PDB, Protein Data Bank, WikiPathways Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS SAH (S-Adenosylhomocysteine) is an amino acid derivative and a modulartor in several metabolic pathways. It is an intermediate in the synthesis of cysteine and adenosine[1]. SAH is an inhibitor for METTL3-METTL14 heterodimer complex (METTL3-14) with an IC50 of 0.9 μM[2]. SAH (S-Adenosylhomocysteine) is an amino acid derivative and a modulartor in several metabolic pathways. It is an intermediate in the synthesis of cysteine and adenosine[1]. SAH is an inhibitor for METTL3-METTL14 heterodimer complex (METTL3-14) with an IC50 of 0.9 μM[2].
5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one
schisandrin C
Schisandrin C (Schizandrin-C) is a phytochemical lignan isolated from Schizandra chinensis[1]. Schisandrin C has diverse biological activities, including anticancer, anti-inflammatory?and antioxidant effects. Schisandrin C is a molecular glue. Schisandrin C can be used for cancer, alzheimer’s disease, and liver diseases?research[2][3]. Schisandrin C induces cell apoptosis[1]. Schisandrin C (Schizandrin-C) is a phytochemical lignan isolated from Schizandra chinensis[1]. Schisandrin C has diverse biological activities, including anticancer, anti-inflammatory?and antioxidant effects. Schisandrin C is a molecular glue. Schisandrin C can be used for cancer, alzheimer’s disease, and liver diseases?research[2][3]. Schisandrin C induces cell apoptosis[1].
5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one [IIN-based on: CCMSLIB00000846833]
5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one [IIN-based: Match]
S-Adenosylhomocysteine
C14H20N6O5S (384.12158300000004)
SAH (S-Adenosylhomocysteine) is an amino acid derivative and a modulartor in several metabolic pathways. It is an intermediate in the synthesis of cysteine and adenosine[1]. SAH is an inhibitor for METTL3-METTL14 heterodimer complex (METTL3-14) with an IC50 of 0.9 μM[2]. SAH (S-Adenosylhomocysteine) is an amino acid derivative and a modulartor in several metabolic pathways. It is an intermediate in the synthesis of cysteine and adenosine[1]. SAH is an inhibitor for METTL3-METTL14 heterodimer complex (METTL3-14) with an IC50 of 0.9 μM[2].
S-Adenosylhomocysteine (SAH); AIF; CE0; CorrDec
C14H20N6O5S (384.12158300000004)
S-Adenosylhomocysteine (SAH); AIF; CE10; CorrDec
C14H20N6O5S (384.12158300000004)
S-Adenosylhomocysteine (SAH); AIF; CE30; CorrDec
C14H20N6O5S (384.12158300000004)
S-Adenosylhomocysteine (SAH); AIF; CE0; MS2Dec
C14H20N6O5S (384.12158300000004)
S-Adenosylhomocysteine (SAH); AIF; CE10; MS2Dec
C14H20N6O5S (384.12158300000004)
S-Adenosylhomocysteine (SAH); AIF; CE30; MS2Dec
C14H20N6O5S (384.12158300000004)
S-Adenosyl-homocysteine (SAH); LC-tDDA; CE10
C14H20N6O5S (384.12158300000004)
S-Adenosyl-homocysteine (SAH); LC-tDDA; CE20
C14H20N6O5S (384.12158300000004)
S-Adenosyl-homocysteine (SAH); LC-tDDA; CE30
C14H20N6O5S (384.12158300000004)
S-Adenosyl-homocysteine (SAH); LC-tDDA; CE40
C14H20N6O5S (384.12158300000004)
Ala Ala His Ser
Ala Ala Ser His
Ala Gly His Thr
Ala Gly Thr His
Ala His Ala Ser
Ala His Gly Thr
Ala His Ser Ala
Ala His Thr Gly
Ala Ser Ala His
Ala Ser His Ala
Ala Thr Gly His
Ala Thr His Gly
Asp Gly Gly His
Asp Gly His Gly
Asp Gly Pro Pro
Asp His Gly Gly
Asp Pro Gly Pro
Asp Pro Pro Gly
Gly Ala His Thr
Gly Ala Thr His
Gly Asp Gly His
Gly Asp His Gly
Gly Asp Pro Pro
Gly Gly Asp His
Gly Gly His Asp
Gly His Ala Thr
Gly His Asp Gly
Gly His Gly Asp
Gly His Thr Ala
Gly Pro Asp Pro
Gly Pro Pro Asp
Gly Thr Ala His
Gly Thr His Ala
His Ala Ala Ser
His Ala Gly Thr
His Ala Ser Ala
His Ala Thr Gly
His Asp Gly Gly
His Gly Ala Thr
His Gly Asp Gly
His Gly Gly Asp
His Gly Thr Ala
His Ser Ala Ala
His Thr Ala Gly
His Thr Gly Ala
Pro Asp Gly Pro
Pro Asp Pro Gly
Pro Gly Asp Pro
Pro Gly Pro Asp
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Ser Ala Ala His
Ser Ala His Ala
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Thr His Gly Ala
19-hydroxy-17-oxoandrost-5-en-3-β-yl sulfate
C19H28O6S (384.16065080000004)
SB 431542
C22H16N4O3 (384.12223459999996)
JWH-200
C25H24N2O2 (384.18376839999996)
3b,16b-Dihydroxyandrostenone sulfate
C19H28O6S (384.16065080000004)
3b,16a-Dihydroxyandrostenone sulfate
C19H28O6S (384.16065080000004)
Bortezomib
C19H25BN4O4 (384.19687600000003)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XG - Proteasome inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2160 - Proteasome Inhibitor D000970 - Antineoplastic Agents C471 - Enzyme Inhibitor
(6beta,7alpha,12beta,13beta)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide
2,3-Butanediol apiosylglucoside
C15H28O11 (384.16315380000003)
Armillarivin
O-Ethylcubebin
Kanzonol N
N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide
C25H24N2O2 (384.18376839999996)
2-[N-(2-acetyloxyethyl)-3-benzamidoanilino]ethyl acetate
((R)-3-Methyl-1-((R)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)butyl)boronic acid
C19H25BN4O4 (384.19687600000003)
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N,N-bis(phenylmethyl)- (9CI)
C24H24N4O (384.19500139999997)
benzyl 2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-ylcarbamate
C20H25BN2O5 (384.18564299999997)
1H-Benzimidazole,1-ethyl-2-[4-[(phenylmethyl)sulfonyl]-1-piperazinyl]-(9CI)
(2S,3R)-5-METHOXY-2-(((4-METHYLBENZOYL)OXY)METHYL)TETRAHYDROFURAN-3-YL 4-METHYLBENZOATE
2-[4-(1,3-dioxolan-2-yl)phenyl]-5-methoxy-3-phenyl-1,6-naphthyridine
[2-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]phenyl] 2-methylprop-2-enoate
methyl 2-deoxy-3,5-di-o-p-toluoyl-d-*rib ofuranoside
Methyl 2-deoxy-3,5-di-O-toluoyl-D-ribofuranoside 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].
1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-c]pyridine
C19H21BN2O4S (384.13150160000004)
methyl 4-((4-(tert-butoxycarbonyl)piperazinyl)sulfonyl)benzoate
beta-d-gal-[1->4]-beta-d-glc-1->opr
C15H28O11 (384.16315380000003)
1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
C19H21BN2O4S (384.13150160000004)
(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
C14H20N6O5S (384.12158300000004)
1-(benzenesulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
C19H21BN2O4S (384.13150160000004)
3-(3-hydroxypropoxy)propan-1-ol,1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
rac-Des(4-cyclohexyl-L-proline) Fosinopril Acetic Acid
[2-BENZYL-[(2-METHOXY-BENZENESULFONYL)-AMINO]-ETHYL]-DIMETHYLAMINE HYDROCHLORIDE
4,4-(9H-Fluorene-9,9-diyl)bis(2-fluoroaniline)
C25H18F2N2 (384.14379719999994)
METHYL 4-(2-(6-METHYLPYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOL-3-YL)QUINOLINE-6-CARBOXYLATE
METHYL 4-(2-(6-METHYLPYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-B]PYRAZOL-3-YL)QUINOLINE-7-CARBOXYLATE
4-Fluorophenyl 4-(trans-4-propylcyclohexyl carbonyloxy)benzoate
(1-Benzyl-4-cyanopiperidin-4-yl)methyl 4-methylbenzenesulfonate
1-Methyl-3-[6-(methylthio)hexyl]imidazolium p-Toluenesulfonate
C18H28N2O3S2 (384.15412580000003)
4-(3-CARBOXY-BENZENESULFONYL)-[1,4]DIAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Istradefylline
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent N - Nervous system > N04 - Anti-parkinson drugs Istradefylline is a very potent, selective and orally active adenosine A2A receptor antagonist with Ki of 2.2 nM in experimental models of Parkinson's disease.
[[2(or 3)-(phenylmethyl)[1,1-biphenyl]-4-yl]oxy]-,sodium salt
C23H21NaO4 (384.13374660000005)
Toborinone
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents
ethyl 2-[2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxylate
VU 29
C22H16N4O3 (384.12223459999996)
VU-29 is a positive allosteric modulator of metabotropic glutamate 5 (mGlu5) receptor (EC50=9 nM and Ki=244 nM for rmGluR5). VU-29 is selective for mGluR5 relative to other mGluR subtypes (EC50: rmGluR1/rmGluR2=557 nM/1.5 μM; hmGluR4=154 nM)[1][2].
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)- (9CI)
bis(ethyl acetoacetato)(2,4-pentanedionato)aluminium
methyl 2-(2-(benzyloxycarbonylamino)-(1,3-d6-propan)-2-yl)-5-hydroxy-1-(methyl-d3)-6-oxo-1,6-dihydropyrimidine-4-carboxylate
(S)-2-(3-((2-isopropylthiazol-4-yl)methyl)-3-methylureido)-4-morpholinobutanoic acid
C17H28N4O4S (384.18311680000005)
(4R,12aS)-3,4,6,8,12,12a-Hexahydro-4-methyl-6,8-dioxo-7-(phenylmethoxy)-2H-pyrido[1,2:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid
Boronic acid, B-[(1S)-3-Methyl-1-[[(2R)-1-oxo-3-phenyl-2-[(2-pyrazinylcarbonyl)aMino]propyl]aMino]butyl]-
C19H25BN4O4 (384.19687600000003)
Methyl 2-deoxy-beta-D-erythro-pentopyranoside bis(4-methylbenzoate)
(S)-Valganciclovir DiMethyl Ether IMpurityDISCONTINUED
13,14-dihydro-13-phenyl-benz[c]indolo[2,3-a]carbazole
(3aS,3aS,8aR,8aR)-2,2-Cyclopentylidenebis[3a,8a-dihydro-8H-indeno[1,2-d]oxazole]
C25H24N2O2 (384.18376839999996)
Decitabine Impurity 6 (alpha-D-Erythro-Pentopyranoside-Methyl-2-Deoxy-bis(4-methylbenzoate))
L-Phenylalanine, N-[(2R,3R)-3-methoxy-2-methyl-1-oxo-3-(2S)-2-pyrrolidinylpropyl]-, methyl ester, monohydrochloride (9CI)
C19H29ClN2O4 (384.18157440000004)
2,2,2-TRIFLUORO-1-(4-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)PIPERAZIN-1-YL)ETHANONE
C18H24BF3N2O3 (384.18319799999995)
dimethyl-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]azanium,2-hydroxy-2-oxoacetate
Elafibranor
C22H24O4S (384.13952240000003)
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C154291 - Peroxisome Proliferator-Activated Receptor Agonist Elafibranor (GFT505) is a PPARα/δ agonist with EC50s of 45 and 175 nM, respectively.
3-[1-(3-Aminopropyl)-1H-indol-3-YL]-4-(1H-indol-3-YL)-1H-pyrrole-2,5-dione
1-Benzyl-3-(4-methoxyphenylamino)-4-phenylpyrrole-2,5-dione
GSK3987 is a pan LXRα/β agonist with EC50s of 50 nM, 40 nM for LXRα-SRC1 and LXRβ-SRC1, respectively. GSK3987 increases the expression of ABCA1 and SREBP-1c. GSK3987 induces cellular cholesterol efflux and triglyceride accumulation[1].
N-(P-Cyanophenyl)-N-diphenylmethyl-guanidine-acetic acid
N-(3-(8-cyano-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazin-2-ylamino)phenyl)acetamide
C20H16N8O (384.14470059999996)
2,4-Diamino-5-methyl-6-[(3,4,5-trimethoxy-N-methylanilino)methyl]pyrido[2,3-D]pyrimidine
C19H24N6O3 (384.19097939999995)
4-{[4-(1-Cyclopropyl-2-Methyl-1h-Imidazol-5-Yl)pyrimidin-2-Yl]amino}-N-Methylbenzenesulfonamide
Sarizotan hydrochloride
C26170 - Protective Agent > C1509 - Neuroprotective Agent
4-(2-(1-(4-Chlorocinnamyl)piperazin-4-yl)ethyl)benzoic acid
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D009676 - Noxae > D000963 - Antimetabolites D004791 - Enzyme Inhibitors
N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-2-oxo-1-propyl-3-quinolinecarboxamide
2-[(4,7-Dimethyl-2-quinazolinyl)thio]-1,2-diphenylethanone
Benzeneacetic acid, 3,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester
Trimethylsilyl [(trimethylsilyl)oxy](4-[(trimethylsilyl)oxy]phenyl)acetate
Benzeneacetic acid, 2,5-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester
6-[N-(1-Isopropyl-3,4-dihydro-7-isoquinolinyl)carbamyl]-2-naphthalenecarboxamidine
C24H24N4O (384.19500139999997)
(1R)-2-{[Amino(imino)methyl]amino}-1-{4-[(4R)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-YL]phenyl}ethyl nicotinate
C18H21BN4O5 (384.16049260000005)
(2s)-1-(6h-Indol-3-Yl)-3-{[5-(7h-Pyrazolo[3,4-C]pyridin-5-Yl)pyridin-3-Yl]oxy}propan-2-Amine
N-{3-Methyl-5-[2-(pyridin-4-ylamino)-ethoxy]-phenyl}-benzenesulfonamide
C20H22N3O3S+ (384.1381802000001)
16alpha-Hydroxydehydroepiandrosterone 3-sulfate
C19H28O6S (384.16065080000004)
An androstanoid that is dehydroepiandrosterone 3-sulfate substituted by a hydroxy group at the 16alpha-position.
[(2S,3As,7aS)-Octahydro-1-[[(1R,2R)-2-phenylcyclopropyl]carbonyl]-1H-indol-2-yl]-3-thiazolidinyl--methanone
5-S-[(3S)-3-azaniumyl-3-carboxylatopropyl]-5-thioadenosine
C14H20N6O5S (384.12158300000004)
4-(2-(1-(4-Chlorocinnamyl)piperazin-4-yl)ethyl)benzoate
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D009676 - Noxae > D000963 - Antimetabolites D004791 - Enzyme Inhibitors
(2S)-2-amino-4-[[5-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
C14H20N6O5S (384.12158300000004)
(2S)-2-[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]-4-sulfanylbutanoic acid
C14H20N6O5S (384.12158300000004)
Perimetazine
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
5,6-dimethoxy-3-[[(3-methoxyphenyl)-oxomethyl]amino]-1H-indole-2-carboxylic acid methyl ester
5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-furanylmethyl)-4-triazolecarboxamide
2-[[4-(1-Pyrrolidinyl)-6-[2-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol
C16H19F3N6O2 (384.15215099999995)
5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-furancarboxamide
4-(4-Anilinoanilino)-2-quinazolinecarboxylic acid ethyl ester
2-[4-[[4-(4-Methoxyphenyl)-1-phthalazinyl]amino]phenyl]acetamide
6-[2-butylimino-3-(cyclopentylideneamino)-4-thiazolyl]-4H-1,4-benzoxazin-3-one
[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-[2-(ethylthio)phenyl]methanone
N-(1H-benzimidazol-2-ylmethyl)-3-(1-pyrrolidinylsulfonyl)benzamide
C19H20N4O3S (384.12560500000006)
N-(1H-benzimidazol-2-ylmethyl)-4-(1-pyrrolidinylsulfonyl)benzamide
C19H20N4O3S (384.12560500000006)
4-[4-(1H-benzimidazol-2-ylmethyl)-1-piperazinyl]benzofuro[3,2-d]pyrimidine
[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-(2,6-dimethoxyphenyl)methanone
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(2-hydroxyethyl)benzamide
5-Chloro-4-(4-methoxyphenoxy)-2-(3-methyl-4-propan-2-ylphenyl)-3-pyridazinone
1-(Diethylamino)-3-[(2-oxo-2-thiophen-2-ylethyl)thio]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
C21H24N2OS2 (384.13299739999997)
4-[[[5-(2,3-Dihydro-1,4-benzodioxin-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-3,5-dimethylisoxazole
C19H20N4O3S (384.12560500000006)
N,N-diethyl-2-[[4-ethyl-5-(3-oxo-2-naphthalenylidene)-1H-1,2,4-triazol-3-yl]thio]acetamide
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-[(3-ethyl-5,8-dimethyl-2-quinolinyl)thio]acetamide
C19H20N4O3S (384.12560500000006)
2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-3-methyl-5H-pyrimido[5,4-b]indol-4-one
2-[3-(3-methoxyphenyl)-7-oxo-6-triazolo[4,5-d]pyrimidinyl]-N-(2-oxolanylmethyl)acetamide
(2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester
N-(2-chlorophenyl)-4-hydroxy-2-oxo-1-pentyl-3-quinolinecarboxamide
5-chloro-3-[(E)-3,4-dihydroxy-3,5-dimethylhept-1-enyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one
1-butyl-N-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-3-quinolinecarboxamide
2-[[2-Furanyl(oxo)methyl]amino]benzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester
1-[(3aS,4S,9bR)-8-(4-fluorophenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-methoxyethanone
1-[(3aR,4R,9bS)-8-(4-fluorophenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-methoxyethanone
(1S,5R)-3-[(3-fluorophenyl)methyl]-7-[4-[(E)-2-phenylethenyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane
C26H25FN2 (384.20016619999996)
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-6-oxo-1-propyl-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
(2S,3S,4S)-4-(hydroxymethyl)-1-(2-phenylacetyl)-3-(4-pyrimidin-5-ylphenyl)azetidine-2-carbonitrile
(2R,3S,4S)-4-(hydroxymethyl)-1-(1-oxo-2-phenylethyl)-3-[4-(5-pyrimidinyl)phenyl]-2-azetidinecarbonitrile
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-1-propyl-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
N-(cyclopropylmethyl)-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-(cyclopropylmethyl)-2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-(cyclopropylmethyl)-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
(2S,3S,4R)-4-(hydroxymethyl)-1-(1-oxo-2-phenylethyl)-3-[4-(5-pyrimidinyl)phenyl]-2-azetidinecarbonitrile
2-fluoro-N-[[(2S,3R,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]-N-methylbenzamide
N-[[(2S,3R,4R)-1-acetyl-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide
1-[(1R,2aR,8bR)-2-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-methoxyethanone
1-[(1R,2aS,8bS)-2-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-methoxyethanone
1-[(3aR,4S,9bS)-8-(4-fluorophenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-methoxyethanone
1-[(2R,3R)-6-[(2-chlorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]-1-propanone
N-acetyl-alpha-D-glucosaminyltyrosine
C17H24N2O8 (384.15325839999997)
N-(cyclopropylmethyl)-2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-(cyclopropylmethyl)-2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-(cyclopropylmethyl)-2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-(cyclopropylmethyl)-2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-(cyclopropylmethyl)-2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[(1-methyl-4-imidazolyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo(3-pyridinyl)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid
(2S,3R,4R)-4-(hydroxymethyl)-1-(1-oxo-2-phenylethyl)-3-[4-(5-pyrimidinyl)phenyl]-2-azetidinecarbonitrile
2-fluoro-N-[[(2R,3S,4R)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]-N-methylbenzamide
2-fluoro-N-[[(2R,3S,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]-N-methylbenzamide
N-[[(2R,3S,4S)-1-acetyl-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide
N-[[(2R,3R,4S)-1-acetyl-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide
1-[(1S,2aS,8bS)-2-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-methoxyethanone
1-[(1S,2aR,8bR)-2-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-methoxyethanone
1-[(3aS,4R,9bR)-8-(4-fluorophenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-methoxyethanone
(1S,5R)-3-(3-methoxyphenyl)sulfonyl-7-[4-[(E)-prop-1-enyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane
3-(p-Tert-butylphenyl)-3-(6-chloropyridin-3-yl)-1-(morpholin-4-yl)prop-2-en-1-one
4-oxo-4-[[(1S,4S,5R,8S,9R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid
3,4,5-Trihydroxy-6-[1-(4-methoxyphenyl)-4-methylpentan-3-yl]oxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[1-(4-methoxyphenyl)-3-oxopentan-2-yl]oxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[1-(4-methoxyphenyl)-3-oxopentoxy]oxane-2-carboxylic acid
[(8S,9S,10S,13R,14S,16R)-1-hydroxy-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl] hydrogen sulate
C19H28O6S (384.16065080000004)
3,4,5-Trihydroxy-6-[5-(4-methoxyphenyl)-3-oxopentan-2-yl]oxyoxane-2-carboxylic acid
[(8R,9S,10S,13S,14S)-10-(hydroxymethyl)-13-methyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
C19H28O6S (384.16065080000004)
N-[2-[(4S)-6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl]ethyl]-2-(dimethylamino)acetamide
6-Acetoxy-2,5,7,8-tetramethyl-2-[2-(phenylthio)ethyl]-3,4-dihydro-2H-1-benzopyran
Methyl 2-(N-((bornane-10,2-sultam)-12-carbamoyl)amino)-4-methyl-4-pentenoate
C18H28N2O5S (384.17188380000005)
2-[(3-Acetyloxy-2-pentanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[(2-Butanoyloxy-3-propanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
SB431542
C22H16N4O3 (384.12223459999996)
[3-Methyl-1-[[1-oxo-2-[[oxo(2-pyrazinyl)methyl]amino]-3-phenylpropyl]amino]butyl]boronic acid
C19H25BN4O4 (384.19687600000003)
S-adenosyl-L-homocysteine zwitterion
C14H20N6O5S (384.12158300000004)
Zwitterionic form of S-adenosyl-L-homocysteine arising from migration of a proton from the carboxy group to the alpha-amino group; major species at pH 7.3.
3beta,16alpha-Dihydroxyandrostenone sulfate
C19H28O6S (384.16065080000004)
AR-M 1000390 (hydrochloride)
AR-M 1000390 hydrochloride is an exceptionally selective, potent δ opioid receptor agonist with an EC50 of 7.2±0.9 nM for δ agonist potency.
BMY-14802 (hydrochloride)
BMY-14802 hydrochloride (BMY-14802-1) is a selective and orally active sigma receptor antagonist with an IC50 of 112 nM. BMY-14802 hydrochloride is also a 5-HT1A and adrenergic α1 receptors agonist. BMY-14802 hydrochloride has antipsychotic effects[1][2][3].
FASN-IN-3
C24H24N4O (384.19500139999997)
FASN-IN-3 is a fatty acid synthase (FASN) inhibitor extracted from patent US20170119786A1, compound 242A[1].
TVB-3166
C24H24N4O (384.19500139999997)
TVB-3166 is an orally-available, reversible, and selective fatty acid synthase (FASN) inhibitor with IC50s of 42 nM and 81 nM for biochemical FASN and cellular palmitate synthesis, respectively. TVB-3166 induces apoptosis, and inhibits in-vivo xenograft tumor growth[1].
Y16
Y16 is a specific inhibitor of Leukemia-associated Rho guanine nucleotide exchange factor (LARG) with a Kd value of 76 nM. Y16 is active in blocking the interaction of LARG and related G-protein-coupled Rho GEFs with RhoA. Y16 shows no detectable effect on other diffuse B-cell lymphoma (Dbl) family Rho GEFs, Rho effectors, or a RhoGAP[1].