Exact Mass: 309.145
Exact Mass Matches: 309.145
Found 500 metabolites which its exact mass value is equals to given mass value 309.145,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Fluperlapine
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents 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
9-O-Acetylneuraminic acid
The acetate ester of the primary hydroxy group of neuraminic acid.
ISOPROPALIN
CONFIDENCE standard compound; INTERNAL_ID 1344; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10647; ORIGINAL_PRECURSOR_SCAN_NO 10642 CONFIDENCE standard compound; INTERNAL_ID 1344; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10600; ORIGINAL_PRECURSOR_SCAN_NO 10598 CONFIDENCE standard compound; INTERNAL_ID 1344; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10624; ORIGINAL_PRECURSOR_SCAN_NO 10622 CONFIDENCE standard compound; INTERNAL_ID 1344; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10736; ORIGINAL_PRECURSOR_SCAN_NO 10734 CONFIDENCE standard compound; INTERNAL_ID 1344; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10608; ORIGINAL_PRECURSOR_SCAN_NO 10605
N-Glycolyl-Muramic Acid
N-Acetyl-a-neuraminic acid
N-Acetyl-alpha-neuraminate is a sialic acid. Sialic acids are an important family of related 9-carbon sugars acids, present on the surface of many different cells and functioning in a wide range of different biological processes. They mediate a variety of cell-cell and cell-molecule interactions in eukaryotes and can be utilized by pathogens to evade the host immune response. N-acetylneuraminic acid is the most common sialic acid, and the predominant form present in humans. It can be found as a terminal sugar on a wide range of surface glycoconjugates. A number of bacteria that can colonize humans (such as E. coli) make use of N-acetylneuraminic acid as a nutrient source. N-Acetyl-a-neuraminic acid is a derivatized monosaccharide. Neuraminic acid derivatives are found widely distributed in animal tissues and in bacteria. The N- or O-substituted derivatives of neuraminic acid are collectively known as sialic acids, the predominant one being N-acetylneuraminic acid. [HMDB] N-Acetylneuraminic acid is a sialic acid monosaccharide ubiquitous on cell membrane glycoproteins and glycolipids of mammalian cell ganglioglycerides, which plays a biological role in neurotransmission, leukocyte vasodilation, and viral or bacterial infection.
Atherosperminine
Atherosperminine is an alkaloid. Atherosperminine is a natural product found in Cryptocarya angulata, Friesodielsia velutina, and other organisms with data available. Atherosperminine is found in fruits. Atherosperminine is an alkaloid from the stem bark of Annona muricata (soursop
Ketotifen
Ketotifen is only found in individuals that have used or taken this drug. It is a cycloheptathiophene blocker of histamine H1 receptors and release of inflammatory mediators. It has been proposed for the treatment of asthma, rhinitis, skin allergies, and anaphylaxis. [PubChem]Ketotifen is a relatively selective, non-competitive histamine antagonist (H1-receptor) and mast cell stabilizer. Ketotifen inhibits the release of mediators from mast cells involved in hypersensitivity reactions. Decreased chemotaxis and activation of eosinophils have also been demonstrated. Ketotifen also inhibits cAMP phosphodiesterase. Properties of ketotifen which may contribute to its antiallergic activity and its ability to affect the underlying pathology of asthma include inhibition of the development of airway hyper-reactivity associated with activation of platelets by PAF (Platelet Activating Factor), inhibition of PAF-induced accumulation of eosinophils and platelets in the airways, suppression of the priming of eosinophils by human recombinant cytokines and antagonism of bronchoconstriction due to leukotrienes. Ketotifen inhibits of the release of allergic mediators such as histamine, leukotrienes C4 and D4(SRS-A) and PAF. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Fluoxetine
Fluoxetine hydrochloride is the first agent of the class of antidepressants known as selective serotonin-reuptake inhibitors (SSRIs). Despite distinct structural differences between compounds in this class, SSRIs possess similar pharmacological activity. As with other antidepressant agents, several weeks of therapy may be required before a clinical effect is seen. SSRIs are potent inhibitors of neuronal serotonin reuptake. They have little to no effect on norepinephrine or dopamine reuptake and do not antagonize α- or β-adrenergic, dopamine D2 or histamine H1 receptors. During acute use, SSRIs block serotonin reuptake and increase serotonin stimulation of somatodendritic 5-HT1A and terminal autoreceptors. Chronic use leads to desensitization of somatodendritic 5-HT1A and terminal autoreceptors. The overall clinical effect of increased mood and decreased anxiety is thought to be due to adaptive changes in neuronal function that lead to enhanced serotonergic neurotransmission. Side effects include dry mouth, nausea, dizziness, drowsiness, sexual dysfunction, and headache. Side effects generally occur within the first two weeks of therapy and are usually less severe and frequent than those observed with tricyclic antidepressants. Fluoxetine may be used to treat major depressive disorder (MDD), moderate to severe bulimia nervosa, obsessive-compulsive disorder (OCD), premenstrual dysphoric disorder (PMDD), panic disorder with or without agoraphobia, and, in combination with olanzapine, for treatment-resistant or bipolar I depression. Fluoxetine is the most anorexic and stimulating SSRI. D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Zanthosimuline
Zanthosimuline is found in fruits. Zanthosimuline is an alkaloid from root bark of Zanthoxylum simulans (Szechuan pepper). Alkaloid from root bark of Zanthoxylum simulans (Szechuan pepper). Zanthosimuline is found in herbs and spices and fruits.
Glutaminyltyrosine
Glutaminyltyrosine is a dipeptide composed of glutamine and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Lysyltyrosine
Lysyltyrosine is a dipeptide composed of lysine and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Tyrosyl-Lysine
Tyrosyl-Lysine is a dipeptide composed of tyrosine and lysine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Tyrosyl-Glutamine
Tyrosyl-Glutamine is a dipeptide composed of tyrosine and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Metixene
Metixene is only found in individuals that have used or taken this drug. It is a anticholinergic used as an anti-parkinson drug. [Wikipedia]Parkinsonism is thought to result from an imbalance between the excitatory (cholinergic) and inhibitory (dopaminergic) systems in the corpus striatum. The mechanism of action of centrally active anticholinergic drugs such as metixene is considered to relate to competitive antagonism of acetylcholine at muscarinic receptors in the corpus striatum, which then restores the balance. N - Nervous system > N04 - Anti-parkinson drugs > N04A - Anticholinergic agents > N04AA - Tertiary amines C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent
Tyrosyl-Gamma-glutamate
Tyrosyl-Gamma-glutamate is a dipeptide composed of tyrosine and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Sapanisertib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2201 - mTOR Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor Sapanisertib (INK-128; MLN0128; TAK-228) is an orally available, ATP-dependent mTOR1/2 inhibitor with an IC50 of 1 nM for mTOR kinase. Sapanisertib (INK-128; MLN0128; TAK-228) is an orally available, ATP-dependent mTOR1/2 inhibitor with an IC50 of 1 nM for mTOR kinase.
N-Benzyl-9-(tetrahydro-2H-pyran-2-YL)adenine
BAP9THP is a synthetic cytokinin derivative and a growth regulator. BAP9THP promotes chlorophyll retention (and senescence delay) in plant tissues exceptionally strongly, and growth of tobacco callus almost as strongly as 6-Benzylaminopurine (BAP). BAP9THP induces adventitious shoot formation ignificantly more strongly than N6-isopentenyladenine or Kinetin[1][2].
3h-Sialic acid
8-Hydroxyondansetron
N-[5-(4,5-Dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide
Gevotroline
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Nerisopam
C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
9-O-Acetylneuraminic acid
Pyridone 6
vibunazole
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
(-)-Stephanine; (R)-(-)-Stephanine; 8-Methoxy-1,2-(methylenedioxy)-6abeta-aporphine; Stephanin; l-Stephanine
N-Acetylneuraminic acid
An N-acylneuraminic acid where the N-acyl group is specified as acetyl. N-Acetylneuraminic acid with alpha configuration at the anomeric centre. N-Acetylneuraminic acid with beta configuration at the anomeric centre. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; SQVRNKJHWKZAKO-PFQGKNLYSA-N_STSL_0228_N-Acetylneuraminic acid_2000fmol_190114_S2_LC02MS02_081; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. N-Acetylneuraminic acid is a sialic acid monosaccharide ubiquitous on cell membrane glycoproteins and glycolipids of mammalian cell ganglioglycerides, which plays a biological role in neurotransmission, leukocyte vasodilation, and viral or bacterial infection.
4-[oxo(2-oxolanyl)methyl]-N-thiophen-2-yl-1-piperazinecarboxamide
N-({[1-Methyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}oxy)benzenecarboximidamide
2-[(1-Benzyl-4-piperidyl)amino]-6-fluorobenzonitrile
Zacopride
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
17alpha-cyanomethyl-1,3,5(10),9(11)-estratetraene-3,17-diol|17alpha-Cyanomethylestra-1,3,5(10),9(11)-tetraen-3,17beta-diol|J 1201
3-Deoxy-3-methylaminoxylose-beta-D-Furanose-form-Me glycoside, 5-benzyl, N-Ac
2-(3,4-Dimethoxy-phenaethyl)-chinolin-4-ol|2-(3,4-dimethoxy-phenethyl)-quinolin-4-ol
8-(4-O-methyl-alpha-ribopyranosyloxy)-3,4-dihydroquinolin-2(1H)-one
2,11-dimethoxy-6-methyl-5,6-dihydro-4H-dibenzo[de,g]quinolin-1-ol|dehydroisothebaine
2-hydroxy-6-methoxy-1-(3-methyl-but-2-enyl)-carbazole-3-carbaldehyde|6-Methoxyheptaphylline
6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]isoquinoline
4-(3-Methyl-but-2-ene)oxy, N-benzoyl phenethyl amine
2-((R)-2-((S)-2-Amino-3-(4-hydroxyphenyl)Propanamido)Propanamido)acetic acid
1-(3,3-dimethyl allyl)-2-hydroxy-3-formyl-8-meth-oxycarbazole
methyl 1-methyl-2-benzyl-5-methoxyindole-3-carboxylate
fluoxetine
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 8321 CONFIDENCE standard compound; EAWAG_UCHEM_ID 334 CONFIDENCE standard compound; INTERNAL_ID 1509
6-[1-(6,6-Dimethyl-3-oxo-bicyclo[3.1.0]hex-2-ylidene)-ethylamino]-chromen-2-one
N-Acetylneuraminate
N-Acetylneuraminic acid is a sialic acid monosaccharide ubiquitous on cell membrane glycoproteins and glycolipids of mammalian cell ganglioglycerides, which plays a biological role in neurotransmission, leukocyte vasodilation, and viral or bacterial infection.
FLU_310.1415_14.5
CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 700
FLUPERLAPINE
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents 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
ketotifen
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
BAP9THP
CONFIDENCE standard compound; INTERNAL_ID 1183; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8671; ORIGINAL_PRECURSOR_SCAN_NO 8666 CONFIDENCE standard compound; INTERNAL_ID 1183; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8607; ORIGINAL_PRECURSOR_SCAN_NO 8605 CONFIDENCE standard compound; INTERNAL_ID 1183; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8711; ORIGINAL_PRECURSOR_SCAN_NO 8710 CONFIDENCE standard compound; INTERNAL_ID 1183; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8730; ORIGINAL_PRECURSOR_SCAN_NO 8727 CONFIDENCE standard compound; INTERNAL_ID 1183; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8753; ORIGINAL_PRECURSOR_SCAN_NO 8748 CONFIDENCE standard compound; INTERNAL_ID 1183; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8722; ORIGINAL_PRECURSOR_SCAN_NO 8720 BAP9THP is a synthetic cytokinin derivative and a growth regulator. BAP9THP promotes chlorophyll retention (and senescence delay) in plant tissues exceptionally strongly, and growth of tobacco callus almost as strongly as 6-Benzylaminopurine (BAP). BAP9THP induces adventitious shoot formation ignificantly more strongly than N6-isopentenyladenine or Kinetin[1][2].
Fluoxetina
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065690 - Cytochrome P-450 CYP2D6 Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
metixene
N - Nervous system > N04 - Anti-parkinson drugs > N04A - Anticholinergic agents > N04AA - Tertiary amines C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent
Lys-tyr
A dipeptide formed from L-lysine and L-tyrosine residues.
Tyr-GLN
A dipeptide formed from L-tyrosine and L-glutamine residues.
Tyr-lys
A dipeptide formed from L-tyrosine and L-lysine residues.
(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(4-FLUOROPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID
(S)-TERT-BUTYL 3-(((BENZYLOXY)CARBONYL)AMINO)-4-HYDROXYBUTANOATE
Morpholine,4-(1-methylethyl)-2-[3-(trifluoromethyl)phenyl]-, hydrochloride (1:1)
7-BENZYL-2-(TRIFLUOROMETHYL)-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDIN-4-OL
(S)-Isopropyl 2-(benzyloxycarbonylamino)-5-hydroxypentanoate
2-acetamido-4,6-o-benzylidene-2-deoxy-d-glucopyranose
4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
3-[(3,4-dimethylphenyl)methyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
Carbamic acid, N,N-3,5-pyridinediylbis-, C,C-bis(1,1-dimethylethyl) ester
4-chloro-N-[1-(N-hydroxycarbamimidoyl)cycloheptyl]benzamide
2-(4-tert-butoxycarbonylamino-butylamino)-nicotinic acid
2-(methylamino)pyridin-3-yl)methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate
17-isocyanato-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
2-BENZYL-2-AZA-SPIRO[4.5]DECANE-4-CARBOXYLIC ACID HYDROCHLORIDE
1-(4-ISOBUTYLPHENYL)-3-(3-NITROPHENYL)PROP-2-EN-1-ONE
4-[(4-Methoxybenzylidene)amino]cinnamic Acid Ethyl Ester
Propanedioic acid,2-[[(phenylmethoxy)carbonyl]amino]-, 1,3-diethyl ester
5-tert-butyl 3-ethyl 1-methyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-3,5(4H)-dicarboxylate
acetic acid,tert-butyl N-(5,6,7,8-tetrahydro-1,7-naphthyridin-3-yl)carbamate
2-[(4-TERT-BUTYLBENZOYL)AMINO]-4-(METHYLTHIO)BUTANOIC ACID
methyl 1-benzyl-2-ethyl-5-hydroxyindole-3-carboxylate
Sangivamycin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000970 - Antineoplastic Agents Sangivamycin (NSC 65346), a nucleoside analog, is a potent inhibitor of protein kinase C (PKC) with an Ki of 10 μM. Sangivamycin has potent antiproliferative activity against a variety of human cancers[1][2]. Sangivamycin (NSC 65346), a nucleoside analog, is a potent inhibitor of protein kinase C (PKC) with an Ki of 10 μM. Sangivamycin has potent antiproliferative activity against a variety of human cancers[1][2].
4-(8-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)benzoic acid
3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carbonitrile
2-(BOC-AMINO)-6-FLUORO-1,2,3,4-TETRAHYDRO-NAPHTHALENE-2-CARBOXYLIC ACID
6-methyl-N1-(3-methyl-1-(6-(methylamino)pyrimidin-4-yl)-1H-pyrazol-5-yl)benzene-1,3-diamine
4-(3-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
2-N-BOC-2-AMINOMETHYL-3-(3-METHOXY-PHENYL)-PROPIONIC ACID
4-([4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIEN-2-YL]METHYL)MORPHOLINE
BOC-TRANS-4-(3-FLUOROPHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID
(2S)-3-(4-hydroxy-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
4-((5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)THIOPHEN-2-YL)METHYL)MORPHOLINE
2-N-BOC-2-AMINOMETHYL-3-(4-METHOXYPHENYL)-PROPIONIC ACID
1-[3-(Benzoyloxy)propyl]-2,3-dihydro-1H-indole-5-carboxaldehyde
3-[methyl[4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile
4-chloro-7-triisopropylsilanyl-7H-pyrrolo[2,3-d]pyrimidine
N-(1-PHENYL-4,5-DIHYDRO-1 H-PYRAZOL-3-YL)-PHTHALAMIC ACID
tert-Butyl [1-(2,5-difluorophenyl)-1-oxo-4-pentyn-2-yl]carbamate
3,5-dip-tolyl-4,5-dihydro-1h-pyrazole-1-carbothioamide
4-HYDROXY-1-METHYL-2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID (2-AMINO-PHENYL)-AMIDE
(5-amino-2-butyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone
N-[1-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethylidene]-alpha-methylbenzenepropanamine
BOC-3-AMINO-3-(BENZO[D][1,3]DIOXOL-5-YL)PROPANOICACID
(S)-2-(((BENZYLOXY)CARBONYL)AMINO)-5-UREIDOPENTANOIC ACID
Trans-Methyl 1-benzyl-4-p-tolylpyrrolidine-3-carboxylate
1,2-Dithiolane-3-pentanamide, N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]
4-(6-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)benzoic acid
1-[3-(2-Methoxy-5-nitrophenoxy)propyl]-4-methylpiperazine
(R)-beta-[[(tert-Butoxy)carbonyl]amino]-1,3-benzodioxole-5-propanoic acid
ethyl 6-(difluoromethoxy)-2,3,4,9-tetrahydro-1h-carbazole-1-carboxylate
1-[(3-aminopropyl)amino]-4-(methylamino)anthraquinone
(2S,4R)-3-BENZOYL-4-ETHYL-4-METHYL-2-PHENYL-OXAZOLIDIN-5-ONE
(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
1-Benzyl-5-methoxy-2-methyl-1h-indol-3-yl)-acetic acid
Cyclohepta(b)pyrazolo(3,4-d)pyridin-3(2H)-one, 5,6,7,8,9,10-hexahydro-2-(4-methoxyphenyl)-
1-[2-(2,5-Dimethylphenoxy)ethyl]-3-indolecarboxylic acid
ML-098 (CID-7345532) is an activator of the GTP-binding protein Rab7 with an EC50 of 77.6 nM.
N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-4-quinazolinamine
4-Benzyl-1-{thieno[2,3-d]pyrimidin-4-yl}piperidine
5-Methyl-1-[3-(2-methylphenoxy)propyl]indole-2,3-dione
Ethyl 5-methoxy-2-methyl-1-phenyl-1H-indole-3-carboxylate
5-(1,3-benzodioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
6,7-dimethoxy-N-[(4-methylphenyl)methyl]quinazolin-4-amine
2-Amino-4-(3-ethoxy-4-hydroxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
7-Hydroxy-8-methyl-4-[[methyl-(phenylmethyl)amino]methyl]-1-benzopyran-2-one
1-[(2s)-4-(5-Phenyl-1h-Pyrazolo[3,4-B]pyridin-4-Yl)morpholin-2-Yl]methanamine
1-((1R)-1-(Hydroxymethyl)-3-(1-naphthyl)propyl)-1H-imidazole-4-carboxamide
4-Hydroxy-3-nitrophenylacetyl-epsilon-aminocaproic acid anion
Sapanisertib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2201 - mTOR Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor Sapanisertib (INK-128; MLN0128; TAK-228) is an orally available, ATP-dependent mTOR1/2 inhibitor with an IC50 of 1 nM for mTOR kinase. Sapanisertib (INK-128; MLN0128; TAK-228) is an orally available, ATP-dependent mTOR1/2 inhibitor with an IC50 of 1 nM for mTOR kinase.
Fructosyllysine(1+)
An amino-acid cation comprising fructosyllysine having a deprotonated carboxy group and both amino groups protonated; major species at pH 7.3.
Psicosyllysine(1+)
An amino-acid cation comprising psicosyllysine having a deprotonated carboxy group and both amino groups protonated; major species at pH 7.3.
Domoate
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents
7-(3-Amino-5-hydroxyphenyl)-7-hydroxy-2,6-dimethyl-3,5-dioxoheptanoic acid
(4E)-4-[2-(2-carboxypyrrolidin-1-ium-1-ylidene)ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
1-[(1E,3Z)-5-(2-carboxypyrrolidin-1-ium-1-ylidene)-4-hydroxypenta-1,3-dienyl]pyrrolidine-2-carboxylic acid
1-ethyl-6-methyl-3-[(E)-2-phenylethenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
Ala-Gly-Tyr
A tripeptide composed of L-alanine, glycine, and L-tyrosine joined in sequence by peptide linkages.
2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetic acid
N-[[6-cyano-5-(ethylamino)-3-methyl-2-pyrazinyl]methyl]-N-phenylacetamide
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]-1H-indole-3-carbohydrazide
2-(4-Acetyl-1-piperazinyl)-6-amino-4-(cyanomethyl)pyridine-3,5-dicarbonitrile
2-(5-Amino-1-phenyl-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
1-[(2-Ethyl-4-hydroxy-4-methyl-1-oxopentyl)amino]-3-phenylthiourea
2-(5,7-Dimethyl-3-phenyl-6-pyrazolo[1,5-a]pyrimidinyl)acetic acid ethyl ester
N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide
(5E)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione
2-chloro-N-[2-(2,2-dimethyl-4-phenyl-4-oxanyl)ethyl]acetamide
1-(4-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-(1-phenylethyl)acetamide
1-Butyl-3-[(2-hydroxyphenyl)hydrazinylidene]-2-indolone
3-methyl-N-[(4-methylphenyl)methyl]-7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-amine
1-[5-hydroxy-3-methyl-5-(3-pyridinyl)-4H-pyrazol-1-yl]-2-(4-methylphenyl)ethanone
N-[[1H-indol-2-yl(oxo)methyl]amino]carbamic acid (phenylmethyl) ester
2-amino-N-(2,3,4,5-tetrahydro-2,5-dioxo-1h-1-benzazepin-3-yl)benzamide
5-Fluoro-2-[(3S)-1-(2-methylbenzyl)-3-pyrrolidinyl]-1H-benzimidazole
1-[9-Ethyl-6-(1-hydroxyiminoethyl)-3-carbazolyl]ethanone oxime
N-[2-(3-phenoxyphenoxy)ethyl]-N-prop-2-enyl-2-propen-1-amine
6-[[(2-Isopropoxyphenyloxy)carbonyl]amino]hexanoic acid
1-[(1R,2aR,8bR)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-2-(2-pyridinyl)ethanone
[(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(3-pyridinyl)methanone
5-tert-butyl-2-methyl-N-quinoxalin-6-ylpyrazole-3-carboxamide
1-[(1S,2aR,8bR)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-2-(2-pyridinyl)ethanone
1-[(1R,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-2-(2-pyridinyl)ethanone
1-[(1S,2aS,8bS)-1-(hydroxymethyl)-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-2-yl]-2-(2-pyridinyl)ethanone
[(1R,2aS,8bS)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(3-pyridinyl)methanone
Methyl 5-[(2-ethoxycarbonyl-3-oxohex-1-enyl)amino]uran-2-carboxylate
(Z)-4-glutaramidostilbene
A stilbenoid obtained by formal condensation of the amino group of (Z)-4-aminostilbene with one of the carboxy groups of glutaric acid.
N(2)-[(R)-2-amino-2-phenylacetyl]-N-butyl-L-cysteinamide
N(2)-[(R)-2-amino-2-(4-hydroxyphenyl)acetyl]-N-butyl-L-serinamide
4-(2-Aminopropanoylamino)-5-[(6-aminopyridin-2-yl)amino]-5-oxopentanoic acid
2-(4-Methoxyanilino)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
(2S)-2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-3-hydroxy-2-methylpropanenitrile
(2S,4E)-4-[2-[(2S)-2-carboxypyrrolidin-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
4-(3-(4-Trimethylsilyloxyphenoxy)propyl)morpholine
6-[[(1Z)-1-[(1R,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]amino]chromen-2-one
N-[[(E)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
domoate(2-)
A tricarboxylic acid anion that is the conjugate base of domoic acid, arising from the deprotonation of the carboxy groups and protonation of the pyrrolidine nitrogen. Major species at pH 7.3.
N-[5-(4,5-Dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide
terreazepine
A member of the class of benzazepines that is 2,3,4,5-tetrahydro-1H-1-benzazepine substituted by oxo groups at positions 2 and 5 and a o-aminobenzamido group at position 4. It is a secondary metabolite found in Aspergillus terreus.
gamma-Glu-Tyr(1-)
A peptide anion obtained by deprotonation of both carboxy groups and protonation of the glutamyl amino group of gamma-Glu-Tyr. Major species at pH 7.3.
Aceneuramate
N-Acetylneuraminic acid is a sialic acid monosaccharide ubiquitous on cell membrane glycoproteins and glycolipids of mammalian cell ganglioglycerides, which plays a biological role in neurotransmission, leukocyte vasodilation, and viral or bacterial infection.
CCT129957
CCT129957 is an indole derivative and a potent phospholipase C-γ (PLC-γ) inhibitor with an IC50 of ~3 μM and a GC50 of 15 μM. CCT129957 inhibits Ca2+ release in squamous carcinoma cells at ~15 μM[1][2].
ZINC69391
ZINC69391, a specific Rac1 inhibitor, interferes with Rac1-GEF interaction by masking Trp56 residue on Rac1 surface. ZINC69391 interferes with the interaction of Rac1 with Dock180 and reduces Rac1-GTP levels. ZINC69391 induces apoptosis, and shows antiproliferative and antimetastatic effects[1][2][3].
(12s)-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaene
(12s)-15-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaene
(2s,3r,4s,5s,6r)-2-{[2-ethyl-1-(hydroxyimino)butyl]sulfanyl}-6-(hydroxymethyl)oxane-3,4,5-triol
methyl 6-[cyclohex-2-en-1-yl(hydroxy)methyl]-4-hydroxy-6a-methyl-2h,3h,3ah-furo[2,3-c]pyrrole-6-carboxylate
(2e)-n-[2-(2h-1,3-benzodioxol-5-yl)ethyl]-n-methyl-3-phenylprop-2-enamide
16-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaene
methyl 1-hydroxy-4-(3-methylbut-2-en-1-yl)-9h-carbazole-3-carboxylate
1,11,12-trimethyl-6-phenyl-8,10-dioxa-4-azatricyclo[7.4.0.0²,⁷]trideca-2,4,6,12-tetraen-3-ol
18-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14(19),15,17-hexaene
n-{2-hydroxy-1-[(2r,5s,6r)-5-hydroxy-6-methyloxan-2-yl]pyrimidin-4-ylidene}-3-methylbutanamide
4-(3'-methyl-but-2'-ene)oxy,n-benzoylphenethyl amine
{"Ingredient_id": "HBIN009910","Ingredient_name": "4-(3'-methyl-but-2'-ene)oxy,n-benzoylphenethyl amine","Alias": "NA","Ingredient_formula": "C20H23NO2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14167","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-(3'-methyl-but-2'-one)oxy,n-benzoyl phenethyl amine
{"Ingredient_id": "HBIN009912","Ingredient_name": "4-(3'-methyl-but-2'-one)oxy,n-benzoyl phenethyl amine","Alias": "NA","Ingredient_formula": "C20H23NO2","Ingredient_Smile": "CC(=CCOC1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30091","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
