Exact Mass: 409.1334296
Exact Mass Matches: 409.1334296
Found 290 metabolites which its exact mass value is equals to given mass value 409.1334296,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
linustatin
C16H27NO11 (409.15840319999995)
1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole
C12H20N5O9P (409.0998600000001)
DU-6859
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
PF-670462
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
IWR-1-endo
Ezetimibe
C24H21F2NO3 (409.14894200000003)
Ezetimibe is an anti-hyperlipidemic medication which is used to lower cholesterol levels. Specifically, it appears to bind to a critical mediator of cholesterol absorption, the Niemann-Pick C1-Like 1 (NPC1L1) protein on the gastrointestinal tract epithelial cells as well as in hepatocytes. D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent D009676 - Noxae > D000963 - Antimetabolites Ezetimibe (SCH 58235) is a potent cholesterol absorption inhibitor. Ezetimibe is a Niemann-Pick C1-like1 (NPC1L1) inhibitor, and is a potent Nrf2 activator.
Queuosine
Queuosine is a modified nucleoside that is present in certain tRNAs in bacteria and eukaryotes. Originally identified in E. coli, queuosine was found to occupy the first anticodon position of tRNAs for histidine, aspartic acid, asparagine and tyrosine. The first anticodon position pairs with the third "wobble" position in codons, and queuosine improves accuracy of translation. Synthesis of queuosine begins with GTP. In bacteria, two classes of riboswitch are known to regulate genes that are involved in the synthesis or transport of pre-queuosine1, a precursor to queuosine: PreQ1-I riboswitches and PreQ1-II riboswitches (Wikipedia). Queuosine is a modified nucleoside that is present in certain tRNAs in bacteria and eukaryotes. Originally identified in E. coli, queuosine was found to occupy the first anticodon position of tRNAs for histidine, aspartic acid, asparagine and tyrosine. The first anticodon position pairs with the third "wobble" position in codons, and queuosine improves accuracy of translation. Synthesis of queuosine begins with GTP. In bacteria, two classes of riboswitch are known to regulate genes that are involved in the synthesis or transport of pre-queuosine1, a precursor to queuosine: PreQ1-I riboswitches and PreQ1-II riboswitches.
Q
Q is part of the Oxidative phosphorylation, Cardiac muscle contraction, Alzheimers disease, Parkinsons disease, and Huntingtons disease pathways. It is a substrate for: Cytochrome b-c1 complex subunit Rieske, mitochondrial.
Chondroitin D-glucuronate
C16H27NO11 (409.15840319999995)
This compound belongs to the family of N-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moeity in which the oxygen atom is replaced by an n-acyl group.
dermatan L-iduronate
C16H27NO11 (409.15840319999995)
This compound belongs to the family of N-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moeity in which the oxygen atom is replaced by an n-acyl group.
N-Carbamoyl glucuronide lorcaserin
C21H28ClNO5 (409.1655908000001)
N-Carbamoyl glucuronide lorcaserin is a metabolite of lorcaserin. Lorcaserin (APD-356, trade name Lorqess) is a weight-loss drug developed by Arena Pharmaceuticals. It has serotonergic properties and acts as an anorectic. On 22 December 2009 a New Drug Application (NDA) was submitted to the Food and Drug Administration (FDA) in the United States. On 16 September 2010, an FDA advisory panel voted to recommend against approval of the drug based on concerns over both safety and efficacy. (Wikipedia)
Urea,3,4-tri-O-acetyl-D-ribopyranosyl)-
Acetylcorynoline
N-((6-Methyl-5-oxo-3-thiomorpholinyl)carbonyl)-L-histidyl-L-proline
C17H23N5O5S (409.14198280000005)
8-(2,4-Dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[5,1-f][1,3,5]triazin-4-amine
7-[(7S)-7-Amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
Lifibrate
C20H21Cl2NO4 (409.08475660000005)
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent
Piclozotan
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist
(3R,4S)-1-(4-Fluorophenyl)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-3-(4-hydroxyphenyl)azetidin-2-one
C24H21F2NO3 (409.14894200000003)
Telatinib
Trifluperidol
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 > N05AD - Butyrophenone derivatives D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Verubecestat
C17H17F2N5O3S (409.1020116000001)
Linustatin
C16H27NO11 (409.15840319999995)
Linustatin is a member of the class of compounds known as cyanogenic glycosides. Cyanogenic glycosides are glycosides in which the aglycone moiety contains a cyanide group. Linustatin is soluble (in water) and a very weakly acidic compound (based on its pKa). Linustatin can be found in a number of food items such as broad bean, plains prickly pear, shea tree, and longan, which makes linustatin a potential biomarker for the consumption of these food products.
Acetylcorynoline
Acetylcorynoline is a benzophenanthridine alkaloid. Acetylcorynoline is a natural product found in Corydalis bungeana, Corydalis remota, and other organisms with data available. Acetylcorynoline is the major alkaloid component derived from Corydalis bungeana, and has anti-inflammatory properties[1]. Acetylcorynoline is the major alkaloid component derived from Corydalis bungeana, and has anti-inflammatory properties[1].
Trifluperidol
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 > N05AD - Butyrophenone derivatives D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
N1-(2-Cyanoethyl)-N1-cyclohexyl-3-nitro-4-(phenylthio)benzamide
FucGlcNAcGA
C16H27NO11 (409.15840319999995)
[Chemical] Source; sea squirt H-antigen (limited periodate oxide)
Fluoxetine Succinamic Acid
C21H22F3NO4 (409.15008480000006)
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 702
6,7-dimethoxy-13-methyl-13,14-dihydro-[1,3]dioxolo[4,5-i][1,3]dioxolo[4,5:4,5]benzo[1,2-c]phenanthridin-14-ol|Macarpin
C22H19NO7 (409.11614640000005)
8-Ethoxy-3-oxo-1,2-dehydroretrorsine
C20H27NO8 (409.17365820000003)
2-amino-5-[(4,5-dihydroxy-cyclopent-2-enylamino)-methyl]-7-Beta-D-ribofuranosyl-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
MLS002153367-01!Dehydroisoandrosterone 3-sulfate sodium salt dihydrate1099-87-2
[C19H30NaO6S]+ (409.16607000000005)
MLS001332601-01!Dehydroisoandrosterone 3-sulfate sodium salt dihydrate1099-87-2
C19H30NaO6S (409.16607000000005)
Ezetimibe
C24H21F2NO3 (409.14894200000003)
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent D009676 - Noxae > D000963 - Antimetabolites Ezetimibe (SCH 58235) is a potent cholesterol absorption inhibitor. Ezetimibe is a Niemann-Pick C1-like1 (NPC1L1) inhibitor, and is a potent Nrf2 activator.
Ala Cys Cys Asn
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IWR-1-exo
(R)-2-Benzyloxycarbonylamino-1,5-dimethanesulfonyloxypentane
Pyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione,9-[(4-fluorophenyl)methyl]-6-hydroxy-1,3-dimethyl-7-(2-propynyl)- (9CI)
Thiazolidine, 3-[(2,3-dihydro-1H-phenalen-4-yl)sulfonyl]-2-(4-methylphenyl)- (9CI)
(S)-(-)1 2 3 4-TETRAHYDRO-6 7DI-MEO-3-I&
C19H23NO7S (409.11951680000004)
glimepiride related compound c (20 mg) (glimepiride urethane)
C18H23N3O6S (409.13074980000005)
2-(METHYLAMINO)-2-PHENYLBUTYL 3,4,5-TRIMETHOXYBENZOATE HYDROCHLORIDE
C21H28ClNO5 (409.1655908000001)
Ezetimibe Tetrahydropyran Impurity
C24H21F2NO3 (409.14894200000003)
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-phenylmethoxyquinazolin-4-amine
m-Fluoro Prasugrel Hydrochloride
C20H21ClFNO3S (409.09146380000004)
p-Fluoro Prasugrel Hydrochloride
C20H21ClFNO3S (409.09146380000004)
5-Chloro-N-[(2R)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-2-thiophenecarboxamide
C18H20ClN3O4S (409.0862990000001)
1H-Pyrrolo[2,3-b]pyridine-3-methanamine, 4-bromo-N,N-dimethyl-1-[tris(1-methylethyl)silyl]-
Sitafloxacin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials > J01MA - Fluoroquinolones D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
[2-(diethylcarbamoyl)-4-(2,4-difluorophenyl)phenyl] benzoate
C24H21F2NO3 (409.14894200000003)
Prasugrel hydrochloride
C20H21ClFNO3S (409.09146380000004)
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent > C190801 - P2Y12 Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Prasugrel hydrochloride (PCR 4099 hydrochloride), a thienopyridine and proagent, inhibits platelet function. Prasugrel hydrochloride is an orally active and potent P2Y12 receptor antagonist, and inhibits ADP-induced platelet aggregation[1].
(2,4-DIFLUORO-PHENYL)-[(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)]-ACETIC ACID
C23H17F2NO4 (409.11255860000006)
BENZOSALICYLANILIDE GAMMA-PHENYLBUTYRATE
C27H23NO3 (409.16778480000005)
2-(METHYLAMINO)-2-PHENYLBUTYL 3,4,5-TRIMETHOXYBENZOATE
C21H28ClNO5 (409.1655908000001)
1H-Indazole-1-acetamide,N-(6-acetyl-1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-3-(trifluoromethyl)-(9CI)
C19H18F3N3O4 (409.12493440000003)
Telatinib
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
[(2S)-2-(dibenzylamino)-3-phenylpropyl] methanesulfonate
C24H27NO3S (409.17115520000004)
Pimethixene maleate
C23H23NO4S (409.13477180000007)
Pimethixene maleate is antihistamine and antiserotonergic compound, acts as an antimigraine agent. Pimethixene maleate is a highly potent antagonist of 5-HT1A, 5-HT2A, 5-HT2B, 5-HT2C, histamine H1, dopamine D2 and D4.4 as well as muscarinic M1 and M2 receptors, with pKis of 7.63, 10.22, 10.44, 8.42, 10.14, 8.19, 7.54, 8.61 and 9.38, respectively[1].
Reboxetine mesylate
C20H27NO6S (409.1559002000001)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C185721 - Norepinephrine Reuptake Inhibitor D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators Reboxetine mesylate (FCE20124 mesylate) is a potent, selective, and specific noradrenaline reuptake inhibitor (NARI) for the research of depression. Reboxetine mesylate inhibits the uptake of norepinephrine, with a Ki of 8 nM[1].
ent-Ezetimibe
C24H21F2NO3 (409.14894200000003)
ent-Ezetimibe (ent-SCH 58235) is the RRS-enantiomer of Ezetimibe. Ezetimibe is a potent cholesterol absorption inhibitor.?Ezetimibe is a Niemann-Pick C1-like1 (NPC1L1) inhibitor, and is a potent?Nrf2 activator[1].
MK-8931
C17H17F2N5O3S (409.1020116000001)
C26170 - Protective Agent > C1509 - Neuroprotective Agent C471 - Enzyme Inhibitor
thiazol-5-ylmethyl ((2R,5R)-5-amino-1,6-diphenylhexan-2-yl)carbamate
C23H27N3O2S (409.18238820000005)
2(1H)-Isoquinolinecarboxylic acid, 8-[(2-benzothiazolylamino)carbonyl]-3,4-dihydro-, 1,1-dimethylethyl ester
N-kappa-Maleimidoundecanoic acid hydrazide trifluoroacetate
C15H25N3O3.C2HF3O2 (409.1824462)
Balovaptan
C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C2180 - Vasopressin Antagonist D045283 - Natriuretic Agents > D065092 - Antidiuretic Hormone Receptor Antagonists D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents
(S)-5-Chloro-(cyclopropylethynyl)-2-[(4-methoxyphenyl)methyl]amion trifluoromethyl benzenemethanol
C21H19ClF3NO2 (409.10563400000007)
Cerlapirdine
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist Cerlapirdine (SAM-531, PF-05212365) is a selective and potent full antagonist of the 5-hydroxytryptamine 6 (5-HT6) receptor. Cerlapirdine has the potential for researching the Alzheimer's disease[1].
Rabeximod
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C308 - Immunotherapeutic Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
[4,5-Diacetyloxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]oxan-3-yl] acetate
trans-1-(4-Fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one
C24H21F2NO3 (409.14894200000003)
1-(4-Fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one
C24H21F2NO3 (409.14894200000003)
4,5-Dimethyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester
C23H25N2O3S+ (409.15858000000003)
N-[(6-Butoxynaphthalen-2-Yl)sulfonyl]-D-Glutamic Acid
C19H23NO7S (409.11951680000004)
N-[(6-Butoxynaphthalen-2-Yl)sulfonyl]-L-Glutamic Acid
C19H23NO7S (409.11951680000004)
N-[4-({[5-(Dimethylamino)-1-Naphthyl]sulfonyl}amino)butyl]-3-Sulfanylpropanamide
C19H27N3O3S2 (409.14937519999995)
3-[3-[[(2S)-2,3-dihydroxypropyl]amino]phenyl]-4-(5-fluoro-1-methylindol-3-yl)pyrrole-2,5-dione
C22H20FN3O4 (409.14377720000005)
lifibrate
C20H21Cl2NO4 (409.08475660000005)
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent
2-amino-5-[[[(4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
(3R,4S)-1-(4-Fluorophenyl)-4-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-3-(4-hydroxyphenyl)azetidin-2-one
C24H21F2NO3 (409.14894200000003)
Aklaviketone(1-)
A phenolate anion obtained by deprotonation of 5-hydroxy group of aklaviketone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
3-(6-Amino-5-cyano-3-isopropyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl morpholine-4-carboxylate
C21H23N5O4 (409.17499580000003)
N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-pentynamide
N-(1,3-benzodioxol-5-yl)-2-[(8-methoxy-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetamide
C19H15N5O4S (409.08447100000006)
2,4-dihydroxy-N-((1E)-{4-methoxy-3-[(pyridin-2-ylthio)methyl]phenyl}methylene)benzohydrazide
C21H19N3O4S (409.1096214000001)
4-(2,5-dimethoxyphenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione
C20H19N5O3S (409.1208544000001)
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3-pyridinyl)-3-piperidinecarboxamide
C18H20ClN3O4S (409.0862990000001)
2-(4-Chloro-3-methylphenoxy)acetic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester
C23H20ClNO4 (409.1080790000001)
2-(4-Chloro-2-methylphenoxy)acetic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester
C23H20ClNO4 (409.1080790000001)
2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]thio]-N-(2-furanylmethyl)acetamide
C21H19N3O4S (409.1096214000001)
7-(5-chloro-2-methoxyanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
C22H20ClN3O3 (409.11931200000004)
N-[(4-fluorophenyl)methyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-morpholinecarboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)-1-imidazolidinyl]acetamide
C22H23N3O5 (409.16376280000003)
(2-Methyl-[1,3]dioxolan-2-yl)-acetic acid [1-(3,4-dichloro-phenyl)-2,5-dimethyl-1H-pyrrol-3-ylmethylene]-hydrazide
C19H21Cl2N3O3 (409.09598960000005)
2-cyclopropyl-2-hydroxy-6-mercapto-3-(3-methyl-1-pyridin-1-iumyl)-4-(4-nitrophenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile
(2R)-N-[2-(2-ethoxyphenoxy)ethyl]-1-(4-methoxy-3-sulfamoylphenyl)propan-2-aminium
C20H29N2O5S+ (409.17970840000004)
(1R,5S)-7-[4-(3-pyridinyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptane
C24H22F3N3 (409.17657280000003)
4-[4-[(1S,5R)-6-(1,3-benzodioxol-5-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(4-thiazolyl)ethylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(4-thiazolyl)ethylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide
(1R,5S)-7-(4-pyridin-4-ylphenyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptane
C24H22F3N3 (409.17657280000003)
(3-fluorophenyl)-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanone
(6R,7R,8R)-N-(4-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
(6R,7R,8S)-N-(4-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
(2R,3R,4R)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-1-[2-(4-morpholinyl)-1-oxoethyl]-2-azetidinecarbonitrile
(3-fluorophenyl)-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-spiro[2,3-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanone
(6S,7R,8S)-N-(4-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
(6S,7S,8S)-N-(4-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
(6R,7S,8S)-N-(4-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
(6S,7S,8R)-N-(4-fluorophenyl)-8-(hydroxymethyl)-2-oxo-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
(2S)-N-[2-(2-ethoxyphenoxy)ethyl]-1-(4-methoxy-3-sulfamoylphenyl)propan-2-aminium
C20H29N2O5S+ (409.17970840000004)
4-(Furan-2-carbonyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
C21H19N3O4S (409.1096214000001)
4-(2,3-Dihydro-1,4-benzodioxine-6-carbonyl)-1-[2-(dimethylamino)ethyl]-5-pyridin-2-ylpyrrolidine-2,3-dione
C22H23N3O5 (409.16376280000003)
Dehydroisoandrosterone 3-sulfate sodium salt dihydrate
C19H30NaO6S+ (409.16607000000005)
2,4-Dibenzyl-1H-(1,3,5)triazino(1,2-A)quinoline-1,3,6(2H,4H)-trione
N-Carbamoyl glucuronide lorcaserin
C21H28ClNO5 (409.1655908000001)
SN-38 carboxylate
A hydroxy monocarboxylic acid anion that is the conjugate base of SN-38 carboxylic acid, obtained from the deprotonation of the carboxy group. It is the major microspecies at pH 7.3.
orlandin(1-)
A phenolate anion resulting from the deprotonation of the 7-hydroxy group orlandin. It is the major microspecies at pH 7.3.
desertorin A(1-)
A phenolate anion that is the conjugate base of desertorin A, obtained by deprotonation of 7-hydroxy group of desertorin A. It is the major microspecies at pH 7.3.
Alogabat
C21H23N5O4 (409.17499580000003)
Alogabat (example 8) is a GABAA α5 receptor positive allosteric modulators (PAMs) (extracted from patent WO2018104419A1)[1].
AT7867 (dihydrochloride)
C20H22Cl3N3 (409.08792220000004)
AT7867 dihydrochloride is a potent ATP-competitive inhibitor of Akt1/Akt2/Akt3 and p70S6K/PKA with IC50s of 32 nM/17 nM/47 nM and 85 nM/20 nM, respectively.
FT113
C22H20FN3O4 (409.14377720000005)
FT113 is a potent and orally active fatty acid synthase (FASN) inhibitor, with an IC50 of 213 nM for full-length recombinant human FASN enzyme. In cell-based assay, FT113 blocks FASN activity in BT474 cells (IC50, 90 nM). FT113 shows anti-proliferative activity, and exhibits anti-cancer activity both in vitro and in vivo[1].
7-[(3s)-2,4-dihydroxy-3h-indol-3-yl]-4,6-dihydroxy-5-methoxy-3-propylnaphthalene-1,2-dione
C22H19NO7 (409.11614640000005)
7-acetyl-1,8-dihydroxy-3-methoxy-5-methyl-4-(3-methylbut-2-en-1-yl)cyclohepta[b]quinoline-6,11-dione
(23s)-11,12-dimethoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-ol
C22H19NO7 (409.11614640000005)
11-hydroxy-7-(1-hydroxyethylidene)-3-methoxy-5-methyl-4-(3-methylbut-2-en-1-yl)cyclohepta[b]quinoline-1,6,8-trione
(25r)-3β-[(o-β-d-glucopyranosyl-(1→3)-β-d-glucopyranosyl-(1→2)-o-[β-d-xylopyranosyl-(1→3)]-o-β-d-glucopyranosyl-(1→4)-β-d-ga-lactopyranosyl)oxy]-5α-spirostan-12-one
C18H22ClN4O5+ (409.12786520000003)
{"Ingredient_id": "HBIN004736","Ingredient_name": "(25r)-3\u03b2-[(o-\u03b2-d-glucopyranosyl-(1\u21923)-\u03b2-d-glucopyranosyl-(1\u21922)-o-[\u03b2-d-xylopyranosyl-(1\u21923)]-o-\u03b2-d-glucopyranosyl-(1\u21924)-\u03b2-d-ga-lactopyranosyl)oxy]-5\u03b1-spirostan-12-one","Alias": "NA","Ingredient_formula": "C18H22ClN4O5+","Ingredient_Smile": "CC1(C([N+](CCO1)(C=O)N2C=CC3=C2N=CN=C3Cl)C4C5C(CO4)OCO5)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8660","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acetycorynoline
{"Ingredient_id": "HBIN014438","Ingredient_name": "acetycorynoline","Alias": "NA","Ingredient_formula": "C23H23NO6","Ingredient_Smile": "CC(=O)OC1CC2=CC3=C(C=C2C4C1(C5=C(CN4C)C6=C(C=C5)OCO6)C)OCO3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37010","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acetylisocorynoline
{"Ingredient_id": "HBIN014479","Ingredient_name": "acetylisocorynoline","Alias": "NA","Ingredient_formula": "C23H23NO6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "438","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
11,12-dimethoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaen-23-ol
C22H19NO7 (409.11614640000005)
3-[2-(hydroxymethyl)-3-methoxyphenyl]-10-methyl-2-(4-methylphenyl)-2-azatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),3,6,8(12),9-pentaen-5-one
C27H23NO3 (409.16778480000005)
n-[5-({4-[2-amino-4-(hydroxymethyl)phenoxy]-3,6-dioxocyclohexa-1,4-dien-1-yl}amino)-2-hydroxyphenyl]ethanimidic acid
C21H19N3O6 (409.12737940000005)
ethyl 2-{23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.9.2.0²,¹⁰.0⁴,⁸.0¹³,²¹.0¹⁵,¹⁹]tricosa-2,4(8),9,13,15(19),20-hexaen-22-yl}acetate
13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-yl acetate
(4s,5r)-4-benzyl-13-bromo-3,6-dimethyl-1,3,6-triazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-9(16),10,12,14-tetraene
(1s,12r,13s)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-yl acetate
5-chloro-3-{4-[(3r)-5-chloro-1,3-dimethyl-2h-indol-3-yl]-1-methylpyrrol-3-yl}-1h-indole
2-[(1s,4s)-2,2-dimethyl-4-(prop-1-en-2-yl)cyclopentyl]-1,3,5-trihydroxy-6-nitrosoxanthen-9-one
5-chloro-3-[4-(5-chloro-1,3-dimethyl-2h-indol-3-yl)-1-methylpyrrol-3-yl]-1h-indole
(1s,13s)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-yl acetate
ethyl 2-[(1r,12s,22s)-23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.9.2.0²,¹⁰.0⁴,⁸.0¹³,²¹.0¹⁵,¹⁹]tricosa-2,4(8),9,13,15(19),20-hexaen-22-yl]acetate
3-[2-(hydroxymethyl)-3-methoxyphenyl]-10-methyl-2-(3-methylphenyl)-2-azatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),3,6,8(12),9-pentaen-5-one
C27H23NO3 (409.16778480000005)
(4s,5r)-4-benzyl-12-bromo-3,6-dimethyl-1,3,6-triazatetracyclo[7.6.1.0⁵,¹⁶.0¹⁰,¹⁵]hexadeca-9(16),10,12,14-tetraene
3-[2-(hydroxymethyl)-3-methoxyphenyl]-10-methyl-2-(2-methylphenyl)-2-azatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),3,6,8(12),9-pentaen-5-one
C27H23NO3 (409.16778480000005)
1-[(2,4-dimethyl-5-oxo-4h-furan-3-carbonylperoxy)methyl]-7-[(2-methylbutanoyl)oxy]-5,6,7,7a-tetrahydro-3h-pyrrolizin-4-ium-4-olate
C20H27NO8 (409.17365820000003)