Exact Mass: 409.1307
Exact Mass Matches: 409.1307
Found 300 metabolites which its exact mass value is equals to given mass value 409.1307,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
linustatin
1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole
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
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
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
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
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
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
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
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
Linustatin
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
Fluoxetine Succinamic Acid
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
cladoniamide D
An organic heteropentacyclic compound that is cladoniamide E in which the chlorine attached to the methoxy-bearing indole moiety is replaced by a hydrogen. It has been isolated from the culture broth of Streptomyces uncialis.
cladoniamide F
An organic heteropentacyclic compound that is cladoniamide G in which the chlorine attached to the methoxy-bearing indole moiety is replaced by a hydrogen. It has been isolated from the culture broth of Streptomyces uncialis.
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
MLS001332601-01!Dehydroisoandrosterone 3-sulfate sodium salt dihydrate1099-87-2
Ezetimibe
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
Ala Cys Asn Cys
Ala Asn Cys Cys
Cys Ala Cys Asn
Cys Ala Asn Cys
Cys Cys Ala Asn
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Cys Cys Asn Ala
Cys Cys Gln Gly
Cys Gly Cys Lys
Cys Gly Cys Gln
Cys Gly Lys Cys
Cys Gly Gln Cys
Cys Lys Cys Gly
Cys Lys Gly Cys
Cys Asn Ala Cys
Cys Asn Cys Ala
Cys Asn Ser Ser
Cys Gln Cys Gly
Cys Gln Gly Cys
Cys Ser Asn Ser
Cys Ser Ser Asn
Gly Cys Cys Lys
Gly Cys Cys Gln
Gly Cys Lys Cys
Gly Cys Gln Cys
Gly Gly Asn Tyr
Gly Gly Tyr Asn
Gly Lys Cys Cys
Gly Asn Gly Tyr
Gly Asn Tyr Gly
Gly Gln Cys Cys
Gly Tyr Gly Asn
Gly Tyr Asn Gly
Lys Cys Cys Gly
Lys Cys Gly Cys
Lys Gly Cys Cys
Asn Ala Cys Cys
Asn Cys Ala Cys
Asn Cys Cys Ala
Asn Cys Ser Ser
Asn Gly Gly Tyr
Asn Gly Tyr Gly
Asn Ser Cys Ser
Asn Ser Ser Cys
Asn Tyr Gly Gly
Gln Cys Cys Gly
Gln Cys Gly Cys
Gln Gly Cys Cys
Ser Cys Asn Ser
Ser Cys Ser Asn
Ser Asn Cys Ser
Ser Asn Ser Cys
Ser Ser Cys Asn
Ser Ser Asn Cys
Tyr Gly Gly Asn
Tyr Gly Asn Gly
Tyr Asn Gly Gly
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)
glimepiride related compound c (20 mg) (glimepiride urethane)
2-(METHYLAMINO)-2-PHENYLBUTYL 3,4,5-TRIMETHOXYBENZOATE HYDROCHLORIDE
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-phenylmethoxyquinazolin-4-amine
5-Chloro-N-[(2R)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-2-thiophenecarboxamide
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
Prasugrel hydrochloride
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
2-(METHYLAMINO)-2-PHENYLBUTYL 3,4,5-TRIMETHOXYBENZOATE
1H-Indazole-1-acetamide,N-(6-acetyl-1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-3-(trifluoromethyl)-(9CI)
Telatinib
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
[(2S)-2-(dibenzylamino)-3-phenylpropyl] methanesulfonate
Pimethixene maleate
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
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
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
C26170 - Protective Agent > C1509 - Neuroprotective Agent C471 - Enzyme Inhibitor
2(1H)-Isoquinolinecarboxylic acid, 8-[(2-benzothiazolylamino)carbonyl]-3,4-dihydro-, 1,1-dimethylethyl ester
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
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
1-(4-Fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one
4,5-Dimethyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester
N-[(6-Butoxynaphthalen-2-Yl)sulfonyl]-D-Glutamic Acid
N-[(6-Butoxynaphthalen-2-Yl)sulfonyl]-L-Glutamic Acid
N-[4-({[5-(Dimethylamino)-1-Naphthyl]sulfonyl}amino)butyl]-3-Sulfanylpropanamide
3-[3-[[(2S)-2,3-dihydroxypropyl]amino]phenyl]-4-(5-fluoro-1-methylindol-3-yl)pyrrole-2,5-dione
lifibrate
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
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
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
2,4-dihydroxy-N-((1E)-{4-methoxy-3-[(pyridin-2-ylthio)methyl]phenyl}methylene)benzohydrazide
4-(2,5-dimethoxyphenyl)-3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-thione
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3-pyridinyl)-3-piperidinecarboxamide
2-(4-Chloro-3-methylphenoxy)acetic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester
2-(4-Chloro-2-methylphenoxy)acetic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester
2-[[3-cyano-6-(3,4-dimethoxyphenyl)-2-pyridinyl]thio]-N-(2-furanylmethyl)acetamide
7-(5-chloro-2-methoxyanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
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
(2-Methyl-[1,3]dioxolan-2-yl)-acetic acid [1-(3,4-dichloro-phenyl)-2,5-dimethyl-1H-pyrrol-3-ylmethylene]-hydrazide
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
(1R,5S)-7-[4-(3-pyridinyl)phenyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptane
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
(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
4-(Furan-2-carbonyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
4-(2,3-Dihydro-1,4-benzodioxine-6-carbonyl)-1-[2-(dimethylamino)ethyl]-5-pyridin-2-ylpyrrolidine-2,3-dione
Dehydroisoandrosterone 3-sulfate sodium salt dihydrate
2,4-Dibenzyl-1H-(1,3,5)triazino(1,2-A)quinoline-1,3,6(2H,4H)-trione
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
Alogabat (example 8) is a GABAA α5 receptor positive allosteric modulators (PAMs) (extracted from patent WO2018104419A1)[1].
AT7867 (dihydrochloride)
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
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
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
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
{"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"}
