Exact Mass: 440.14844800000003
Exact Mass Matches: 440.14844800000003
Found 500 metabolites which its exact mass value is equals to given mass value 440.14844800000003
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Candesartan
Candesartan is an angiotensin-receptor blocker (ARB) that may be used alone or with other agents to treat hypertension. It is administered orally as the prodrug, candesartan cilexetil, which is rapidly converted to its active metabolite, candesartan, during absorption in the gastrointestinal tract. Candesartan lowers blood pressure by antagonizing the renin-angiotensin-aldosterone system (RAAS); it competes with angiotensin II for binding to the type-1 angiotensin II receptor (AT1) subtype and prevents the blood pressure increasing effects of angiotensin II. Unlike angiotensin-converting enzyme (ACE) inhibitors, ARBs do not have the adverse effect of dry cough. Candesartan may be used to treat hypertension, isolated systolic hypertension, left ventricular hypertrophy and diabetic nephropathy. It may also be used as an alternative agent for the treatment of heart failure, systolic dysfunction, myocardial infarction and coronary artery disease. C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09C - Angiotensin ii receptor blockers (arbs), plain > C09CA - Angiotensin ii receptor blockers (arbs), plain C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C66930 - Angiotensin II Receptor Antagonist D057911 - Angiotensin Receptor Antagonists > D047228 - Angiotensin II Type 1 Receptor Blockers COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 79 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2804 CONFIDENCE standard compound; INTERNAL_ID 2137 CONFIDENCE standard compound; INTERNAL_ID 8182 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Candesartan (CV 11974) is an orally active angiotensin II AT1-Receptor blocker and PPAR-γ agonist. Candesartan has potent and long-lasting antihypertensive effects. Candesartan can be used for the research of hypertension, chronic heart failure (CHF) and Traumatic brain injury (TBI)[1][2][3]. Candesartan (CV 11974) is an orally active angiotensin II AT1-Receptor blocker and PPAR-γ agonist. Candesartan has potent and long-lasting antihypertensive effects. Candesartan can be used for the research of hypertension, chronic heart failure (CHF) and Traumatic brain injury (TBI)[1][2][3].
Ginkgolide C
C20H24O11 (440.13185539999995)
Ginkgolide C is found in fats and oils. Ginkgolide C is a bitter principle from Ginkgo biloba (ginkgo). Bitter principle from Ginkgo biloba (ginkgo). Ginkgolide C is found in ginkgo nuts and fats and oils. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease.
Sertindole
Sertindole, a neuroleptic, is one of the newer antipsychotic medications available. Serdolect is developed by the Danish pharmaceutical company H. Lundbeck. Like the other atypical antipsychotics, it has activity at dopamine and serotonin receptors in the brain. It is used in the treatment of schizophrenia. It is classified chemically as a phenylindole derivative. It was first marketed in 1996 in several European countries before being withdrawn two years later because of numerous cardiac adverse effects. It has once again been approved and should soon be available on the French and Australian market. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AE - Indole derivatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist Sertindole (Lu 23-174) is an orally active 5-HT2A, 5-HT2C, dopamine D2, and αl-adrenergic receptors antagonist. Sertindole shows antipsychotic activity and anti-proliferative activity to multiple cancer cells[1][2][3].
Hallactone B
A diterpenoid that is a organic heterohexacyclic compound consisting of lactone and epoxide ring systems. It is isolated from Podocarpus macrophyllus.
1S,3R-Rsl3
C23H21ClN2O5 (440.11389260000004)
S-[(Z)-N-hydroxy(4-hydroxyphenyl)acetimidoyl]glutathione
Aminopterin
Aminopterin Syndrome Sine Aminopterin (ASSA, OMIM 600325) is an embryopathy caused by maternal treatment with the olic acid antagonist aminopterin has been recognized since 1952 when aminopterin was used as an abortifacient. The characteristic phenotype of the children who survived infancy after having been exposed to aminopterin or its methyl derivative, methotrexate, in early pregnancy included a very unusual facies, skull anomalies, and skeletal defects.(OMIM). Aminopterin is an antimetabolite drug used in treatment of cancer and autoimmune diseases. It acts by inhibiting the metabolism of folic acid. - Wikipedia. The effects of the drug on intracellular metabolic processes, due to the inhibitory action on the enzyme dihydrofolate reductase, show that the result of this inhibition is more complex and is not limited to blockade of the reduction of folic acid alone. Although rescue methods are important in prevention of lethal effects of methotrexate, some metabolic pathways are insufficiently rescued, resulting in toxic reactions following methotrexate administration.(PMID 6398629). Aminopterin Syndrome Sine Aminopterin (ASSA, OMIM 600325) is an embryopathy caused by maternal treatment with the olic acid antagonist aminopterin has been recognized since 1952 when aminopterin was used as an abortifacient. The characteristic phenotype of the children who survived infancy after having been exposed to aminopterin or its methyl derivative, methotrexate, in early pregnancy included a very unusual facies, skull anomalies, and skeletal defects.(OMIM);
1,6-Dihydroxy-3,7-dimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone
1,6-Dihydroxy-3,7-dimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone is found in fruits. 1,6-Dihydroxy-3,7-dimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone is a constituent of the heartwood of Garcinia mangostana (mangosteen). Constituent of the heartwood of Garcinia mangostana (mangosteen). 1,6-Dihydroxy-3,7-dimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone is found in fruits.
1,3-Dihydroxy-6,7-dimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone
1,3-Dihydroxy-6,7-dimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone is found in fruits. 1,3-Dihydroxy-6,7-dimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone is a constituent of the heartwood of Garcinia mangostana (mangosteen). Constituent of the heartwood of Garcinia mangostana (mangosteen). 1,3-Dihydroxy-6,7-dimethoxy-2-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-xanthone is found in fruits.
1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-butenyl)-8-(2-hydroxy-3-methyl-3-butenyl)-xanthone
1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-butenyl)-8-(2-hydroxy-3-methyl-3-butenyl)-xanthone is found in fruits. 1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-butenyl)-8-(2-hydroxy-3-methyl-3-butenyl)-xanthone is a constituent of the heartwood of Garcinia mangostana (mangosteen). Constituent of the heartwood of Garcinia mangostana (mangosteen). 1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-butenyl)-8-(2-hydroxy-3-methyl-3-butenyl)-xanthone is found in fruits.
1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methyl-1E-butenyl)-xanthone
1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methyl-1E-butenyl)-xanthone is found in fruits. 1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methyl-1E-butenyl)-xanthone is a constituent of the heartwood of Garcinia mangostana (mangosteen). Constituent of the heartwood of Garcinia mangostana (mangosteen). 1,6-Dihydroxy-3,7-dimethoxy-2-(3-methyl-2-butenyl)-8-(3-hydroxy-3-methyl-1E-butenyl)-xanthone is found in fruits.
Propylene glycol alginate
Propylene glycol alginate is a stabiliser, emulsifier, thickener, formulation aid, surface active agent and flavouring adjunct or adjuvant for foodstuffs Propylene glycol alginate (PGA) is an emulsifier, stabilizer, and thickener used in food products. It is a food additive with E number E405. Chemically, propylene glycol alginate is an ester of alginic acid, which is derived from kelp. Some of the carboxyl groups are esterified with propylene glycol, some are neutralized with an appropriate alkali, and some remain free. Stabiliser, emulsifier, thickener, formulation aid, surface active agent and flavouring adjunct or adjuvant for foodstuffs
Isolariciresinol sulfate
gamma-CEHC glucuronide
Azobilirubin
Butyrolactone derivative
2,2-Dimethylpropanoyloxymethyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3R)-5-oxopyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
C20H28N2O7S (440.16171380000003)
Metreton
Cichorioside B
C21H28O10 (440.16823880000004)
Cichorioside b is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Cichorioside b is soluble (in water) and a very weakly acidic compound (based on its pKa). Cichorioside b can be found in chicory and endive, which makes cichorioside b a potential biomarker for the consumption of these food products.
Cichorioside F
C21H28O10 (440.16823880000004)
Cichorioside f is a member of the class of compounds known as C-glycosyl compounds. C-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. Cichorioside f is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Cichorioside f can be found in endive, which makes cichorioside f a potential biomarker for the consumption of this food product.
Cichorioside G
C21H28O10 (440.16823880000004)
Cichorioside g is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Cichorioside g is soluble (in water) and a very weakly acidic compound (based on its pKa). Cichorioside g can be found in endive, which makes cichorioside g a potential biomarker for the consumption of this food product.
Cichorioside H
C21H28O10 (440.16823880000004)
Cichorioside h is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Cichorioside h is soluble (in water) and a very weakly acidic compound (based on its pKa). Cichorioside h can be found in endive, which makes cichorioside h a potential biomarker for the consumption of this food product.
Cichorioside I
C21H28O10 (440.16823880000004)
Cichorioside i is soluble (in water) and a very weakly acidic compound (based on its pKa). Cichorioside i can be found in endive, which makes cichorioside i a potential biomarker for the consumption of this food product.
Ginkgolide
C20H24O11 (440.13185539999995)
ginkgolide-C is a natural product found in Ginkgo biloba with data available. See also: Ginkgo (part of). Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease.
Arugosin D
Dorsmanin F
Tanariflavanone D
A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 3 and 4 and a 6-hydroxy-3,7-dimethylocta-2,7-dienyl group at position 6. Isolated from Macaranga tanarius, it exhibits antineoplastic and radical scavenging activities.
Vernodesmin
1,6-Dihydroxy-2-(2-hydroxy-3-methylbut-3-enyl)-3,7-dimethoxy-8-(3-methylbut-2-enyl) xanthone
diplacol
abyssinoflavanone VI
Kushenol X
[3aR-(3aR*,5E,7R*,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid
C21H28O10 (440.16823880000004)
9,11-Dihydroxy-2,3,6-trimethoxy-8-prenhyl-6a,12a-didehydrorotenone
15-O-beta-D-Glucopyranosylurospermal A
C21H28O10 (440.16823880000004)
2,3-Dihydroxylupinifolin
Tetrahydroswertianolin
C20H24O11 (440.13185539999995)
A xanthone glycoside that is the 1,2,3,4-tetrahydro derivaive of swertianolin (the S,4R-stereoisomer). It is isolated from Swertia japonica and shows hepatoprotective properties.
3,5,8-Trimethoxy-3,4-methylenedioxy-7-prenyloxyflavone
8,9-Dimethoxy-2-(2-phenyldiazenyl)-3-(2-thienyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carbonitrile
N-(tert-Butyl)-2-[2-(2,4-dichlorophenoxy)acetyl]decahydroisoquinoline-3-carboxamide
C22H30Cl2N2O3 (440.16333699999996)
(8Z)-2,15-dioxapentacyclo[22.2.2.13,7.110,14.016,21]triaconta-3(30),4,6,8,10(29),11,13,16(21),17,19,25,27-dodecaene-4,5,17-triol 1
(20S)-14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15,17,19(27),22,25-dodecaene-5,16,20,24-tetrol
CONFIDENCE Predicted
8alpha-(2,3-dihydroxy-2-methylpropanoyloxy)hirsutinolide 13-O-acetate|vernchinilide D
C21H28O10 (440.16823880000004)
(S)-7-O-methylpeucedanol 3-O-beta-D-glucopyranoside
C21H28O10 (440.16823880000004)
(E)-2-phenylmethylene-3-methoxy-4-[(2,3-diphenylpropionic acid methyl ester)-3-yl]-5-oxo-2(2H)-furylidene|isoravenelone methyl ester
Grandidentoside
C21H28O10 (440.16823880000004)
2-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-L-biopterin|2-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)biopterin|limipterin
C17H24N6O8 (440.16555439999996)
3,5,8-Tri-Me,3,4-methylene ether,7-O-(3-methyl-2-butenyl)-Gossypetin
5-O-beta-D-glucopyranosyl-2,3-dihydrooroselol|peucedanoside B
C20H24O11 (440.13185539999995)
7-O-beta-D-glucopyranosyl-(4alpha,4aalpha,7beta,8alpha)-4-(3-furanyl)-1-hydroxy-4a,8-dimethyl-4,4a,5,6,7,8,-hexahydro-2H-3-benzopyran-2-one|dictamnusine
C21H28O10 (440.16823880000004)
(2E)-3,4-dimethoxycinnamyl 3-(3,4-diacetoxyphenyl)acrylate
1-(4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)propane-1,2,3-triol
C21H28O10 (440.16823880000004)
A guaiacyl lignin that is guaiacylglycerol in which the hydrogen on the 2-hydroxy function has been replaced by a 4-(1,2,3-trihydroxypropan-1-yl)-2,6-dimethoxyphenyl group.
19,20-alpha-epoxy-12,15-dihydroxy-11-methoxyicajine
2-{{6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxoprop-2-en-1-yl]-beta-d-glucopyranosyl}oxy}-4-methylpentanoic acid|ligularoside I
C21H28O10 (440.16823880000004)
1-caffeoyl-6-tuliposide A|1-O-caffeoyl-6-O-(4-hydroxy-2-methylenebutyroyl)-beta-D-glucopyranose
C20H24O11 (440.13185539999995)
longumoside B|trans-cinnamyl-(6-(3-O-3-methyl-pentanedioic acid))-beta-d-glucopyranoside
C21H28O10 (440.16823880000004)
(6-cis-p-coumaroyl)-3-O-beta-D-glucopyranosyl-2-deoxy-D-ribono-gamma-lactone
C20H24O11 (440.13185539999995)
5,7,5-trimethoxy-6-(3-hydroxy-3-methyl-trans-but-1-enyl)-3,4-methylenedioxy flavone
N-[5-(4-Hydroxybenzoylamino)pentyl]-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxopteridine-6-carboxamide
3,10-diacetoxy-1,2;8,9-diepoxy-2,3,6a,7,9,10,13a,14-octahydro-1H,8H-7a,14a-cyclo-pyrazino[1,2-a;4,5-a]diindole-6,13-dione|O,O-diacetyl-scabrosine|Scabrosin-4,4-diacetat
O4-[O4,O6-((Xi)-1-Carboxy-aethyliden)-beta-D-galactopyranosyl]-3,6-anhydro-L-galactose-dimethylacetal|O4-[O4,O6-((Xi)-1-carboxy-ethylidene)-beta-D-galactopyranosyl]-3,6-anhydro-L-galactose-dimethylacetal
4,8,15-Tri-Ac-3,4,7,8,15-Scirpenepentol
C21H28O10 (440.16823880000004)
8-(3-beta-D-glucopyranosyloxy-2-hydroxy-3-methylbutyl)-7-methoxy-2H-1-benzopoyran-2-one
C21H28O10 (440.16823880000004)
JGB1741
JGB1741 (ILS-JGB-1741) is a potent and specific SIRT1 activity inhibitor with an IC50 of ~15 μM. JGB1741 is a weak SIRT2 and SIRT3 inhibitor with an all IC50>100 μM. JGB1741 increases the acetylated p53 levels leading to p53-mediated apoptosis with modulation of Bax/Bcl2 ratio, cytochrome c release and PARP cleavage. JGB1741 has the potential for breast cancer research[1].
candesartan
C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09C - Angiotensin ii receptor blockers (arbs), plain > C09CA - Angiotensin ii receptor blockers (arbs), plain C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C66930 - Angiotensin II Receptor Antagonist D057911 - Angiotensin Receptor Antagonists > D047228 - Angiotensin II Type 1 Receptor Blockers COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 2137 Candesartan (CV 11974) is an orally active angiotensin II AT1-Receptor blocker and PPAR-γ agonist. Candesartan has potent and long-lasting antihypertensive effects. Candesartan can be used for the research of hypertension, chronic heart failure (CHF) and Traumatic brain injury (TBI)[1][2][3]. Candesartan (CV 11974) is an orally active angiotensin II AT1-Receptor blocker and PPAR-γ agonist. Candesartan has potent and long-lasting antihypertensive effects. Candesartan can be used for the research of hypertension, chronic heart failure (CHF) and Traumatic brain injury (TBI)[1][2][3].
(E)-3-[1-[(E)-but-2-en-2-yl]-9-hydroxy-10-(hydroxymethyl)-3-methoxy-4-methyl-6-oxobenzo[b][1,4]benzodioxepin-7-yl]but-2-enoic acid
methyl 2-[[3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl]methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate
C21H28O10_2-Hydroxycyclohexyl 2-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside
C21H28O10 (440.16823880000004)
C21H28O10_2-Hydroxycyclohexyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside
C21H28O10 (440.16823880000004)
Aminopterin
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2153 - Dihydrofolate Reductase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists
methyl 2-[[3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl]methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate
(1S,3R,6R,7S,8S,9R,10S,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione
C20H24O11 (440.13185539999995)
Ginkgolide C
C20H24O11 (440.13185539999995)
Annotation level-1 Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease. Ginkgolide C is a flavone isolated from Ginkgo biloba leaves, possessing multiple biological functions, such as decreasing platelet aggregation and ameliorating Alzheimer disease.
7,8,19,20-Tetrahydro-15,18-etheno-2,6:9,13-dimetheno-1,14-benzodioxacyclodocosin-11,12,24-triol
CONFIDENCE Predicted
(E)-3-[1-[(E)-but-2-en-2-yl]-9-hydroxy-10-(hydroxymethyl)-3-methoxy-4-methyl-6-oxobenzo[b][1,4]benzodioxepin-7-yl]but-2-enoic acid [IIN-based on: CCMSLIB00000845225]
(E)-3-[1-[(E)-but-2-en-2-yl]-9-hydroxy-10-(hydroxymethyl)-3-methoxy-4-methyl-6-oxobenzo[b][1,4]benzodioxepin-7-yl]but-2-enoic acid [IIN-based: Match]
methyl 2-[[3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl]methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000846943]
methyl 2-[[3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl]methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate [IIN-based: Match]
methyl 2-[[3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl]methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate [IIN-based on: CCMSLIB00000846940]
(E)-3-[1-[(E)-but-2-en-2-yl]-9-hydroxy-10-(hydroxymethyl)-3-methoxy-4-methyl-6-oxobenzo[b][1,4]benzodioxepin-7-yl]but-2-enoic acid [IIN-based on: CCMSLIB00000845223]
methyl 2-[[3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl]methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate_major
(1S,3R,6R,7S,8S,9R,10S,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione_major
C20H24O11 (440.13185539999995)
(1S,3R,6R,7S,8S,9R,10S,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,?.0?,¹¹.0¹³,¹?]nonadecane-5,15,18-trione
C20H24O11 (440.13185539999995)
Ala Cys Phe Thr
C19H28N4O6S (440.17294680000003)
Ala Cys Thr Phe
C19H28N4O6S (440.17294680000003)
Ala Phe Cys Thr
C19H28N4O6S (440.17294680000003)
Ala Phe Thr Cys
C19H28N4O6S (440.17294680000003)
Ala Gly Met Tyr
C19H28N4O6S (440.17294680000003)
Ala Gly Tyr Met
C19H28N4O6S (440.17294680000003)
Ala Met Gly Tyr
C19H28N4O6S (440.17294680000003)
Ala Met Tyr Gly
C19H28N4O6S (440.17294680000003)
Ala Thr Cys Phe
C19H28N4O6S (440.17294680000003)
Ala Thr Phe Cys
C19H28N4O6S (440.17294680000003)
Ala Tyr Gly Met
C19H28N4O6S (440.17294680000003)
Ala Tyr Met Gly
C19H28N4O6S (440.17294680000003)
Cys Ala Phe Thr
C19H28N4O6S (440.17294680000003)
Cys Ala Thr Phe
C19H28N4O6S (440.17294680000003)
Cys Cys Cys Ile
C15H28N4O5S3 (440.12217580000004)
Cys Cys Cys Leu
C15H28N4O5S3 (440.12217580000004)
Cys Cys Ile Cys
C15H28N4O5S3 (440.12217580000004)
Cys Cys Leu Cys
C15H28N4O5S3 (440.12217580000004)
Cys Asp Phe Gly
Cys Asp Gly Phe
Cys Phe Ala Thr
C19H28N4O6S (440.17294680000003)
Cys Phe Asp Gly
Cys Phe Gly Asp
Cys Phe Thr Ala
C19H28N4O6S (440.17294680000003)
Cys Gly Asp Phe
Cys Gly Phe Asp
Cys Gly Met Met
C15H28N4O5S3 (440.12217580000004)
Cys Gly Val Tyr
C19H28N4O6S (440.17294680000003)
Cys Gly Tyr Val
C19H28N4O6S (440.17294680000003)
Cys Ile Cys Cys
C15H28N4O5S3 (440.12217580000004)
Cys Leu Cys Cys
C15H28N4O5S3 (440.12217580000004)
Cys Met Gly Met
C15H28N4O5S3 (440.12217580000004)
Cys Met Met Gly
C15H28N4O5S3 (440.12217580000004)
Cys Met Ser Thr
Cys Met Thr Ser
Cys Ser Met Thr
Cys Ser Thr Met
Cys Thr Ala Phe
C19H28N4O6S (440.17294680000003)
Cys Thr Phe Ala
C19H28N4O6S (440.17294680000003)
Cys Thr Met Ser
Cys Thr Ser Met
Cys Val Gly Tyr
C19H28N4O6S (440.17294680000003)
Cys Val Tyr Gly
C19H28N4O6S (440.17294680000003)
Cys Tyr Gly Val
C19H28N4O6S (440.17294680000003)
Cys Tyr Val Gly
C19H28N4O6S (440.17294680000003)
Asp Cys Phe Gly
Asp Cys Gly Phe
Asp Phe Cys Gly
Asp Phe Gly Cys
Asp Gly Cys Phe
Asp Gly Phe Cys
Asp Gly Ser Tyr
C18H24N4O9 (440.15432139999996)
Asp Gly Tyr Ser
C18H24N4O9 (440.15432139999996)
Asp Ser Gly Tyr
C18H24N4O9 (440.15432139999996)
Asp Ser Tyr Gly
C18H24N4O9 (440.15432139999996)
Asp Tyr Gly Ser
C18H24N4O9 (440.15432139999996)
Asp Tyr Ser Gly
C18H24N4O9 (440.15432139999996)
Phe Ala Cys Thr
C19H28N4O6S (440.17294680000003)
Phe Ala Thr Cys
C19H28N4O6S (440.17294680000003)
Phe Cys Ala Thr
C19H28N4O6S (440.17294680000003)
Phe Cys Asp Gly
Phe Cys Gly Asp
Phe Cys Thr Ala
C19H28N4O6S (440.17294680000003)
Phe Asp Cys Gly
Phe Asp Gly Cys
Phe Gly Cys Asp
Phe Gly Asp Cys
Phe Gly Met Ser
C19H28N4O6S (440.17294680000003)
Phe Gly Ser Met
C19H28N4O6S (440.17294680000003)
Phe Met Gly Ser
C19H28N4O6S (440.17294680000003)
Phe Met Ser Gly
C19H28N4O6S (440.17294680000003)
Phe Ser Gly Met
C19H28N4O6S (440.17294680000003)
Phe Ser Met Gly
C19H28N4O6S (440.17294680000003)
Phe Thr Ala Cys
C19H28N4O6S (440.17294680000003)
Phe Thr Cys Ala
C19H28N4O6S (440.17294680000003)
Gly Ala Met Tyr
C19H28N4O6S (440.17294680000003)
Gly Ala Tyr Met
C19H28N4O6S (440.17294680000003)
Gly Cys Asp Phe
Gly Cys Phe Asp
Gly Cys Met Met
C15H28N4O5S3 (440.12217580000004)
Gly Cys Val Tyr
C19H28N4O6S (440.17294680000003)
Gly Cys Tyr Val
C19H28N4O6S (440.17294680000003)
Gly Asp Cys Phe
Gly Asp Phe Cys
Gly Asp Ser Tyr
C18H24N4O9 (440.15432139999996)
Gly Asp Tyr Ser
C18H24N4O9 (440.15432139999996)
Gly Phe Cys Asp
Gly Phe Asp Cys
Gly Phe Met Ser
C19H28N4O6S (440.17294680000003)
Gly Phe Ser Met
C19H28N4O6S (440.17294680000003)
Gly His Asn Asn
C16H24N8O7 (440.17678739999997)
Gly Met Ala Tyr
C19H28N4O6S (440.17294680000003)
Gly Met Cys Met
C15H28N4O5S3 (440.12217580000004)
Gly Met Phe Ser
C19H28N4O6S (440.17294680000003)
Gly Met Met Cys
C15H28N4O5S3 (440.12217580000004)
Gly Met Ser Phe
C19H28N4O6S (440.17294680000003)
Gly Met Tyr Ala
C19H28N4O6S (440.17294680000003)
Gly Asn His Asn
C16H24N8O7 (440.17678739999997)
Gly Asn Asn His
C16H24N8O7 (440.17678739999997)
Gly Ser Asp Tyr
C18H24N4O9 (440.15432139999996)
Gly Ser Phe Met
C19H28N4O6S (440.17294680000003)
Gly Ser Met Phe
C19H28N4O6S (440.17294680000003)
Gly Ser Tyr Asp
C18H24N4O9 (440.15432139999996)
Gly Val Cys Tyr
C19H28N4O6S (440.17294680000003)
Gly Val Tyr Cys
C19H28N4O6S (440.17294680000003)
Gly Tyr Ala Met
C19H28N4O6S (440.17294680000003)
Gly Tyr Cys Val
C19H28N4O6S (440.17294680000003)
Gly Tyr Asp Ser
C18H24N4O9 (440.15432139999996)
Gly Tyr Met Ala
C19H28N4O6S (440.17294680000003)
Gly Tyr Ser Asp
C18H24N4O9 (440.15432139999996)
Gly Tyr Val Cys
C19H28N4O6S (440.17294680000003)
His Gly Asn Asn
C16H24N8O7 (440.17678739999997)
His Asn Gly Asn
C16H24N8O7 (440.17678739999997)
His Asn Asn Gly
C16H24N8O7 (440.17678739999997)
Ile Cys Cys Cys
C15H28N4O5S3 (440.12217580000004)
Leu Cys Cys Cys
C15H28N4O5S3 (440.12217580000004)
Met Ala Gly Tyr
C19H28N4O6S (440.17294680000003)
Met Ala Tyr Gly
C19H28N4O6S (440.17294680000003)
Met Cys Gly Met
C15H28N4O5S3 (440.12217580000004)
Met Cys Met Gly
C15H28N4O5S3 (440.12217580000004)
Met Cys Ser Thr
Met Cys Thr Ser
Met Phe Gly Ser
C19H28N4O6S (440.17294680000003)
Met Phe Ser Gly
C19H28N4O6S (440.17294680000003)
Met Gly Ala Tyr
C19H28N4O6S (440.17294680000003)
Met Gly Cys Met
C15H28N4O5S3 (440.12217580000004)
Met Gly Phe Ser
C19H28N4O6S (440.17294680000003)
Met Gly Met Cys
C15H28N4O5S3 (440.12217580000004)
Met Gly Ser Phe
C19H28N4O6S (440.17294680000003)
Met Gly Tyr Ala
C19H28N4O6S (440.17294680000003)
Met Met Cys Gly
C15H28N4O5S3 (440.12217580000004)
Met Met Gly Cys
C15H28N4O5S3 (440.12217580000004)
Met Ser Cys Thr
Met Ser Phe Gly
C19H28N4O6S (440.17294680000003)
Met Ser Gly Phe
C19H28N4O6S (440.17294680000003)
Met Ser Thr Cys
Met Thr Cys Ser
Met Thr Ser Cys
Met Tyr Ala Gly
C19H28N4O6S (440.17294680000003)
Met Tyr Gly Ala
C19H28N4O6S (440.17294680000003)
Asn Gly His Asn
C16H24N8O7 (440.17678739999997)
Asn Gly Asn His
C16H24N8O7 (440.17678739999997)
Asn His Gly Asn
C16H24N8O7 (440.17678739999997)
Asn His Asn Gly
C16H24N8O7 (440.17678739999997)
Asn Asn Gly His
C16H24N8O7 (440.17678739999997)
Asn Asn His Gly
C16H24N8O7 (440.17678739999997)
Ser Cys Met Thr
Ser Cys Thr Met
Ser Asp Gly Tyr
C18H24N4O9 (440.15432139999996)
Ser Asp Tyr Gly
C18H24N4O9 (440.15432139999996)
Ser Phe Gly Met
C19H28N4O6S (440.17294680000003)
Ser Phe Met Gly
C19H28N4O6S (440.17294680000003)
Ser Gly Asp Tyr
C18H24N4O9 (440.15432139999996)
Ser Gly Phe Met
C19H28N4O6S (440.17294680000003)
Ser Gly Met Phe
C19H28N4O6S (440.17294680000003)
Ser Gly Tyr Asp
C18H24N4O9 (440.15432139999996)
Ser Met Cys Thr
Ser Met Phe Gly
C19H28N4O6S (440.17294680000003)
Ser Met Gly Phe
C19H28N4O6S (440.17294680000003)
Ser Met Thr Cys
Ser Thr Cys Met
Ser Thr Met Cys
Ser Tyr Asp Gly
C18H24N4O9 (440.15432139999996)
Ser Tyr Gly Asp
C18H24N4O9 (440.15432139999996)
Thr Ala Cys Phe
C19H28N4O6S (440.17294680000003)
Thr Ala Phe Cys
C19H28N4O6S (440.17294680000003)
Thr Cys Ala Phe
C19H28N4O6S (440.17294680000003)
Thr Cys Phe Ala
C19H28N4O6S (440.17294680000003)
Thr Cys Met Ser
Thr Cys Ser Met
Thr Phe Ala Cys
C19H28N4O6S (440.17294680000003)
Thr Phe Cys Ala
C19H28N4O6S (440.17294680000003)
Thr Met Cys Ser
Thr Met Ser Cys
Thr Ser Cys Met
Thr Ser Met Cys
Val Cys Gly Tyr
C19H28N4O6S (440.17294680000003)
Val Cys Tyr Gly
C19H28N4O6S (440.17294680000003)
Val Gly Cys Tyr
C19H28N4O6S (440.17294680000003)
Val Gly Tyr Cys
C19H28N4O6S (440.17294680000003)
Val Tyr Cys Gly
C19H28N4O6S (440.17294680000003)
Val Tyr Gly Cys
C19H28N4O6S (440.17294680000003)
Tyr Ala Gly Met
C19H28N4O6S (440.17294680000003)
Tyr Ala Met Gly
C19H28N4O6S (440.17294680000003)
Tyr Cys Gly Val
C19H28N4O6S (440.17294680000003)
Tyr Cys Val Gly
C19H28N4O6S (440.17294680000003)
Tyr Asp Gly Ser
C18H24N4O9 (440.15432139999996)
Tyr Asp Ser Gly
C18H24N4O9 (440.15432139999996)
Tyr Gly Ala Met
C19H28N4O6S (440.17294680000003)
Tyr Gly Cys Val
C19H28N4O6S (440.17294680000003)
Tyr Gly Asp Ser
C18H24N4O9 (440.15432139999996)
Tyr Gly Met Ala
C19H28N4O6S (440.17294680000003)
Tyr Gly Ser Asp
C18H24N4O9 (440.15432139999996)
Tyr Gly Val Cys
C19H28N4O6S (440.17294680000003)
Tyr Met Ala Gly
C19H28N4O6S (440.17294680000003)
Tyr Met Gly Ala
C19H28N4O6S (440.17294680000003)
Tyr Ser Asp Gly
C18H24N4O9 (440.15432139999996)
Tyr Ser Gly Asp
C18H24N4O9 (440.15432139999996)
Tyr Val Cys Gly
C19H28N4O6S (440.17294680000003)
Tyr Val Gly Cys
C19H28N4O6S (440.17294680000003)
His-Tyr-OH
Dricoid
b-D-Glucopyranoside, phenyl1-thio-, 2,3,4,6-tetraacetate
(4-CHLOROBENZYL)TRIPHEYLPHOSPHONIUM TETRAFLUOROBORATE
(4R)-5-(8-azaspiro[4.5]decan-8-yl)-4-[(3,5-dichlorobenzoyl)amino]-5-oxopentanoic acid
C21H26Cl2N2O4 (440.12695360000004)
2-[[4-[(2-cyanoethyl)(2-phenoxyethyl)amino]phenyl]azo]-5-nitrobenzonitrile
4-[[4-(aminocarbonyl)phenyl]azo]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
C25H20N4O4 (440.14844800000003)
2-((4-METHOXYPHENYL)AMINO)-1-(2-(TRIFLUOROMETHYL)BENZYL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDE
1,4-bis(4-phenylphenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-N-(o-tolyl)naphthalene-2-carboxamide
C25H20N4O4 (440.14844800000003)
Phenyl 2,3,4,6-Tetra-O-acetyl-1-thio-a-D-mannopyranoside
Poly(oxy-1,2-ethanediyl), .alpha.-(3-carboxy-1-oxosulfopropyl)-.omega.-hydroxy-, C10-16-alkyl ethers, disodium salts
C18H34Na2O7S (440.18205340000003)
sodium 2-hydroxy-3-[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propoxy]propane-1-sulphonate
C13H33NaO7SSi3 (440.11524280000003)
phenyl 2,3,4,6-tetra-o-acetyl-1-thio-beta-d-galactopyranoside
1-[(4-chlorophenyl)-phenylmethyl]-4-(4-methylphenyl)sulfonylpiperazine
(3β)-17-Iodoandrosta-5,16-dien-3-yl acetate
C21H29IO2 (440.12122039999997)
(3S)-3-Amino-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetatic acid1,2-dimethylethyl ester, (2r,3r)-2,3-dihydroxybuta
1-METHYL-3-TRIFLUOROMETHYL-5-TRIBUTYLSTANNYLPYRAZOLE
4-Thiazolidinecarboxylic acid, 3-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]acetyl]-2,2-dimethyl-, (4R)-
Ravoxertinib
C21H18ClFN6O2 (440.11637299999995)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C174048 - ERK Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents Ravoxertinib (GDC-0994) is an orally active ERK kinase inhibitor with an IC50 of 6.1 nM and 3.1 nM for ERK1 and ERK2, respectively.
4,4-(1E,1E)-2,2-(1-phenyl-1H-pyrazole-3,5-diyl)bis(ethene-2,1-diyl)bis(2-methoxyphenol)
3-(N-Morpholino)propanesulfonic acid hemisodium salt
N-[5-[bis(2-methoxyethyl)amino]-2-[(2-cyano-4-nitrophenyl)azo]phenyl]acetamide
GSK 2018682
C22H21ClN4O4 (440.12512560000005)
erythro-Guaiacylglycerol β-threo-syringylglycerol ether
C21H28O10 (440.16823880000004)
(4Z)-4-[(5-carbamoyl-2-methoxyphenyl)hydrazinylidene]-3-oxo-N-phenylnaphthalene-2-carboxamide
C25H20N4O4 (440.14844800000003)
tert-Butyl 3S-amino-2,3,4,5-tetrahydro-1H-[1]benaepin-2-one-1acetate-tartrate
(4Z)-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]hydrazinylidene]-3-oxonaphthalene-2-carboxamide
C25H20N4O4 (440.14844800000003)
Prednisolone phosphate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
N-{4-[(1r,3s,5s)-3-Amino-5-Methylcyclohexyl]pyridin-3-Yl}-6-(2,6-Difluorophenyl)-5-Fluoropyridine-2-Carboxamide
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
1-(3-Hydroxypropyl)-2-[(3-Nitrobenzoyl)amino]-1h-Benzimidazol-5-Yl Pivalate
Ozanimod Hydrochloride
D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents > D000081243 - Sphingosine 1 Phosphate Receptor Modulators C308 - Immunotherapeutic Agent
1-(2,4-dichlorophenyl)-6-methyl-N-(1-piperidinyl)-4H-indeno[1,2-c]pyrazole-3-carboxamide
2-oxo-N-[2-[(2-phenyl-1H-indol-3-yl)thio]ethyl]-1-benzopyran-3-carboxamide
2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-N-(2-furanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
N2-({[(4-Bromophenyl)methyl]oxy}carbonyl)-N1-[(1S)-1-formylpentyl]-L-leucinamide
C20H29BrN2O4 (440.13105740000003)
(4r)-N-[4-({[2-(Dimethylamino)ethyl]amino}carbonyl)-1,3-Thiazol-2-Yl]-4-Methyl-1-Oxo-2,3,4,9-Tetrahydro-1h-Beta-Carboline-6-Carboxamide
[(3R)-4-[[3-(2-hexanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]phosphinic acid
C17H33N2O7PS (440.17459980000007)
2,2-Dimethylpropanoyloxymethyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3R)-5-oxopyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
C20H28N2O7S (440.16171380000003)
(2S)-2-amino-5-[[(1R)-1-carboxy-2-[(1,2,6-trimethyl-3,5-dioxopyrazolo[1,2-a]pyrazol-7-yl)methylsulfanyl]ethyl]amino]-5-oxopentanoic acid
4-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-3-propyl-1H-pyrrol-2-yl]diazenyl]benzenesulfonic acid
(1S,3aS,8aS,9R,9aS)-9-hydroxy-1,5-dimethyl-8-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-1,3a,4,8a,9,9a-hexahydroazuleno[6,5-b]furan-2,6-dione
C21H28O10 (440.16823880000004)
5-Hydroxy-1-methyl-4-(4-morpholinylmethyl)-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester
C24H28N2O4S (440.17696880000005)
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-hydroxycyclohexyl)oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
C21H28O10 (440.16823880000004)
6-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid
2,6-difluoro-N-[2-[3-[(2-fluorophenyl)methylthio]-1-indolyl]ethyl]benzamide
C24H19F3N2OS (440.11701200000005)
4,5-Dimethoxy-2-[[1-oxo-2-[(3,5,8-trimethyl-2-quinolinyl)thio]ethyl]amino]benzoic acid
2-(3,5-Dinitrophenyl)-3-(2-phenylethyl)imidazo[4,5-b]quinoxaline
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(2-methoxyphenyl)acetamide
(1S,5R)-3-[(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
C23H21ClN2O5 (440.11389260000004)
(S)-2-(benzyloxy)-1-(2-methoxynaphthalen-1-yl)phenanthrene
(1R,9S,10S,11S)-5-(3-fluorophenyl)-10-(hydroxymethyl)-12-methyl-6-oxo-N-(1,3-thiazol-2-yl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(1S,9R,10R,11R)-5-(3-fluorophenyl)-10-(hydroxymethyl)-12-methyl-6-oxo-N-(1,3-thiazol-2-yl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(2S,3S,3aR,9bR)-1-[cyclobutyl(oxo)methyl]-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
C24H25FN2O5 (440.17474119999997)
2-cyclopropyl-1-[(2R,3R)-2-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone
C24H28N2O4S (440.17696880000005)
2-cyclopropyl-1-[(2S,3R)-2-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone
C24H28N2O4S (440.17696880000005)
1-[(2S,3R)-2-(hydroxymethyl)-6-methylsulfonyl-3-[4-[(E)-2-phenylethenyl]phenyl]-1,6-diazaspiro[3.3]heptan-1-yl]propan-1-one
C24H28N2O4S (440.17696880000005)
(2R,3R,3aS,9bS)-1-[cyclobutyl(oxo)methyl]-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
C24H25FN2O5 (440.17474119999997)
2-cyclopropyl-1-[(2S,3S)-2-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone
C24H28N2O4S (440.17696880000005)
N-(2,4-dinitrophenyl)glycyl-L-lysyl-beta-alanine
C17H24N6O8 (440.16555439999996)
(1R,3R,8S,9R,10S,13S,16S,17R)-8-Tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
C20H24O11 (440.13185539999995)
(2R,3R,4S,5R)-2-acetamido-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxyhexanoic acid
2-amino-5-[[3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
(1S,3R,6R,7S,8S,9R,10S,11R,12S,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
C20H24O11 (440.13185539999995)
(1S,3R,6R,7S,8S,9R,10S,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0(1),(1)(1).0(3),.0,(1)(1).0(1)(3),(1)]nonadecane-5,15,18-trione
C20H24O11 (440.13185539999995)
4-Methoxycarbonyl-5,6-diphenyl-2-(para-tolyl)perhydropyrrolo(3,4-C)pyrrole-1,3-dione(3A,4-cis-6,6A-trans)
4-Methoxycarbonyl-5,6-diphenyl-2-(para-tolyl)perhydropyrrolo(3,4-C)pyrrole-1,3-dione(3A,4-trans-6,6A-cis)
(1R,6R,7S,8S,9S,10S,11R,12R,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
C20H24O11 (440.13185539999995)
(1S,3R,6R,7S,8S,9R,10S,11R,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
C20H24O11 (440.13185539999995)
(1R,6R,7R,8S,9S,10S,11R,12R,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
C20H24O11 (440.13185539999995)
SERTINDOLE
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AE - Indole derivatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist Sertindole (Lu 23-174) is an orally active 5-HT2A, 5-HT2C, dopamine D2, and αl-adrenergic receptors antagonist. Sertindole shows antipsychotic activity and anti-proliferative activity to multiple cancer cells[1][2][3].
gamma-CEHC beta-glucuronide
C21H28O10 (440.16823880000004)
A member of the class of chromanes that is gamma-CEHC in which the phenolic hydrogen is replaced by a beta-glucuronosyl residue.
(1R,3S)-2-(2-chloro-1-oxoethyl)-1-(4-methoxycarbonylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid methyl ester
C23H21ClN2O5 (440.11389260000004)
platensimycin(1-)
C24H26NO7 (440.17091860000005)
A monocarboxylic acid anion that is the conjugate base of platensimycin resulting from the deprotonation of the carboxy group; major species at pH 7.3.
AZD4747
C24H22ClFN2O3 (440.13029040000004)
AZD4747 is a selective, blood-brain barrier-permeable mutant GTPase KRASG12C inhibitor. AZD4747 has the potential to study cancer[1].
JP1302 dihydrochloride
JP1302 dihydrochloride is a potent, selective, high affinity antagonist of the α2C-adrenoceptor, with a Kb of 16 nM and a Ki of 28 nM for the human α2C-receptor. JP1302 dihydrochloride shows antidepressant and antipsychotic-like effects. JP1302 dihydrochloride can be used for neuropsychiatric disorders and renal dysfunction research[1][2][3].
PF-06372865
PF-06372865 is an orally active, α2/α3/α5 subtype-selective GABAA positive allosteric modulator (PAM). PF-06372865 is a high affinity ligand at GABAA receptors containing α1/α2/α3/α5 subunits (Kis of 2.9 nM, 21 nM, 134 nM for α2, α1 PAM, α2 PAM, respectively), with low affinity for α4/α6 subunits. PF-06372865 can across the blood-brain barrier (BBB). PF-06372865 has anxiolytic activity and has the potential for epilepsy[1].
methyl (1r,2r,4r,5r,7r,11s,12s,15s,23r)-4,11-dihydroxy-18-methoxy-3-oxo-6-oxa-8,16-diazaoctacyclo[10.10.1.0¹,¹⁵.0²,⁷.0⁴,¹⁵.0⁵,¹².0⁸,²³.0¹⁷,²²]tricosa-17,19,21-triene-16-carboxylate
methyl (1r,2r,4s,5r,7r,11s,12s,15s,23r)-4,11-dihydroxy-18-methoxy-3-oxo-6-oxa-8,16-diazaoctacyclo[10.10.1.0¹,¹⁵.0²,⁷.0⁴,¹⁵.0⁵,¹².0⁸,²³.0¹⁷,²²]tricosa-17,19,21-triene-16-carboxylate
(1r,5s,6s,8ar)-1-(furan-3-yl)-6-hydroxy-5,8a-dimethyl-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6,7,8-tetrahydro-1h-isochromen-3-one
C21H28O10 (440.16823880000004)
methyl (2r)-2-[(3-{[(2r)-3,3-dimethyloxiran-2-yl]methyl}-4-hydroxyphenyl)methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate
(1r,3r,9r,10s,13s,16s,17r)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0¹,¹¹.0³,⁷.0⁷,¹¹.0¹³,¹⁷]nonadecane-5,15,18-trione
C20H24O11 (440.13185539999995)
9-(hydroxymethyl)-3,6-dimethyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione
C21H28O10 (440.16823880000004)
(1s,2r,4r,10r,11r,12s,14r)-11-hydroxy-1,7-dimethyl-11-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,5-dioxapentacyclo[8.4.0.0²,⁴.0⁴,⁸.0¹²,¹⁴]tetradec-7-en-6-one
C21H28O10 (440.16823880000004)
(e,2z,4e)-n-[(1z)-3-[(4s,5r,6s,8r,9z,11e)-5,17-dihydroxy-2-oxo-3,7-dioxatricyclo[11.4.0.0⁶,⁸]heptadeca-1(17),9,11,13,15-pentaen-4-yl]prop-1-en-1-yl]-4-(methoxyimino)but-2-enimidic acid
2,15-dioxapentacyclo[22.2.2.1³,⁷.1¹⁰,¹⁴.0¹⁶,²¹]triaconta-1(26),3,5,7(30),10(29),11,13,16,18,20,24,27-dodecaene-4,5,17-triol
4,17,19-trihydroxy-4-(methoxycarbonyl)-11-methyl-2,13-dioxo-12-oxa-6-thiatricyclo[13.4.0.0³,⁷]nonadeca-1(19),15,17-trien-6-ium-6-olate
(11s)-4,17,19-trihydroxy-4-(methoxycarbonyl)-11-methyl-2,13-dioxo-12-oxa-6-thiatricyclo[13.4.0.0³,⁷]nonadeca-1(19),15,17-trien-6-ium-6-olate
methyl (2r)-4-hydroxy-3-(4-hydroxyphenyl)-2-{[(2r)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methyl}-5-oxofuran-2-carboxylate
(3s,3ar,4r,4as,9as)-4-hydroxy-3,8-dimethyl-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3h,3ah,4h,4ah,9h,9ah-azuleno[6,5-b]furan-2,7-dione
C21H28O10 (440.16823880000004)
(2r,3r,4s,5s,6r)-4,5-dihydroxy-2-{[(1r,2s)-2-hydroxycyclohexyl]oxy}-6-(hydroxymethyl)oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
C21H28O10 (440.16823880000004)