Exact Mass: 323.1448
Exact Mass Matches: 323.1448
Found 500 metabolites which its exact mass value is equals to given mass value 323.1448,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bialaphos
A tripeptide comprising one L-phosphinothricyl and two L-alanyl units joined in sequence. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
FLUTOLANIL
CONFIDENCE standard compound; INTERNAL_ID 1175; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4349; ORIGINAL_PRECURSOR_SCAN_NO 4346 CONFIDENCE standard compound; INTERNAL_ID 1175; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4226; ORIGINAL_PRECURSOR_SCAN_NO 4222 CONFIDENCE standard compound; INTERNAL_ID 1175; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9058; ORIGINAL_PRECURSOR_SCAN_NO 9056 CONFIDENCE standard compound; INTERNAL_ID 1175; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9153; ORIGINAL_PRECURSOR_SCAN_NO 9152 CONFIDENCE standard compound; INTERNAL_ID 1175; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4243; ORIGINAL_PRECURSOR_SCAN_NO 4241 CONFIDENCE standard compound; INTERNAL_ID 1175; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4249; ORIGINAL_PRECURSOR_SCAN_NO 4247 CONFIDENCE standard compound; INTERNAL_ID 1175; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9072; ORIGINAL_PRECURSOR_SCAN_NO 9070 CONFIDENCE standard compound; INTERNAL_ID 1175; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9189; ORIGINAL_PRECURSOR_SCAN_NO 9186 CONFIDENCE standard compound; INTERNAL_ID 1175; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4277; ORIGINAL_PRECURSOR_SCAN_NO 4275 CONFIDENCE standard compound; INTERNAL_ID 1175; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9107; ORIGINAL_PRECURSOR_SCAN_NO 9105 CONFIDENCE standard compound; INTERNAL_ID 1175; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4271; ORIGINAL_PRECURSOR_SCAN_NO 4268 CONFIDENCE standard compound; INTERNAL_ID 1175; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9124; ORIGINAL_PRECURSOR_SCAN_NO 9123
Acremoauxin A
An indolyl carboxylate ester obtained by formal condensation of one of the primary hydroxy groups of D-arabinitol with the carboxy group of (2R)-2-(indol-3-yl)propanoic acid.
Rutacridone epoxide
Rutacridone epoxide is an alkaloid from roots and callus tissue cultures of Ruta graveolens (rue). Alkaloid from roots and callus tissue cultures of Ruta graveolens (rue).
Rucaparib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XK - Poly (adp-ribose) polymerase (parp) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C62554 - Poly (ADP-Ribose) Polymerase Inhibitor D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
Pararosaniline Hydrochloride
D004396 - Coloring Agents > D012394 - Rosaniline Dyes D005404 - Fixatives
Naftifine hydrochloride
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
Senicapoc
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Cyproheptadine hydrochloride
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D003879 - Dermatologic Agents > D000982 - Antipruritics D005765 - Gastrointestinal Agents D018926 - Anti-Allergic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Cyproheptadine hydrochloride is a potent and orally active 5-HT2A receptor antagonist, with antidepressant and antiserotonergic effects. Cyproheptadine hydrochloride has antiplatelet and thromboprotective activities. Cyproheptadine hydrochloride can be used for the research of thromboembolic disorders[1][2].
Gliclazide
Gliclazide is an oral antihyperglycemic agent used for the treatment of non-insulin-dependent diabetes mellitus (NIDDM). It belongs to the sulfonylurea class of insulin secretagogues, which act by stimulating β cells of the pancreas to release insulin. Sulfonylureas increase both basal insulin secretion and meal-stimulated insulin release. Medications in this class differ in their dose, rate of absorption, duration of action, route of elimination and binding site on their target pancreatic β cell receptor. Sulfonylureas also increase peripheral glucose utilization, decrease hepatic gluconeogenesis and may increase the number and sensitivity of insulin receptors. Sulfonylureas are associated with weight gain, though less so than insulin. Due to their mechanism of action, sulfonylureas may cause hypoglycemia and require consistent food intake to decrease this risk. The risk of hypoglycemia is increased in elderly, debilitated and malnourished individuals. Gliclazide has been shown to decrease fasting plasma glucose, postprandial blood glucose and glycosolated hemoglobin (HbA1c) levels (reflective of the last 8-10 weeks of glucose control). Gliclazide is extensively metabolized by the liver; its metabolites are excreted in both urine (60-70\\%) and feces (10-20\\%). A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas D007004 - Hypoglycemic Agents
(S)-Neolitsine
(S)-Neolitsine is found in herbs and spices. (S)-Neolitsine is an alkaloid from the leaves of Laurus nobilis (bay laurel).
N-Methoxycarbonylanonaine
N-Methoxycarbonylanonaine is found in alcoholic beverages. N-Methoxycarbonylanonaine is an alkaloid from fresh unripe fruits of Rollinia mucosa (biriba). Alkaloid from fresh unripe fruits of Rollinia mucosa (biriba). N-Methoxycarbonylanonaine is found in cherimoya, alcoholic beverages, and fruits.
Mukonicine
Mukonicine is found in herbs and spices. Mukonicine is an alkaloid from the leaves of Murraya koenigii (curry leaf tree
Gravacridonol
Gravacridonol is found in herbs and spices. Gravacridonol is an alkaloid from Ruta graveolens (rue). Alkaloid from Ruta graveolens (rue). Gravacridonol is found in herbs and spices.
Koenigicine
Koenigicine is found in herbs and spices. Koenigicine is an alkaloid from the leaves of Murraya koenigii (curryleaf tree
N-Monodemethylolopatadine
N-Monodemethylolopatadine is a metabolite of olopatadine. Olopatadine hydrochloride is an antihistamine (as well as anticholinergic) and mast cell stabilizer, sold as a prescription eye drop (0.2\\% solution, Pataday, manufactured by Alcon). It is used to treat itching associated with allergic conjunctivitis. Olopatadine hydrochloride 0.1\\% is sold as Patanol (or Opatanol in some countries). A nasal spray formulation is sold as Patanase, which was approved by the FDA on April 15, 2008. (Wikipedia)
(2E,8E)-10-hydroxydeca-2,8-dien-4-ynoylcarnitine
(2E,8E)-10-hydroxydeca-2,8-dien-4-ynoylcarnitine is an acylcarnitine. More specifically, it is an (2E,8E)-10-hydroxydeca-2,8-dien-4-ynoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (2E,8E)-10-hydroxydeca-2,8-dien-4-ynoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E,8E)-10-hydroxydeca-2,8-dien-4-ynoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
7-[(2-Benzyl-3-sulfanylpropanoyl)amino]heptanoic acid
Bialaphos
Cyamemazine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Cyamemazine is a neuroleptic agent that contains the phenothiazine chromophore. Cyamemazine is often used as an anxiolytic. Cyamemazine is a potent 5-HT3 (Ki of 12 nM), 5-HT2A (Ki = 1.5 nM) and 5-HT2C (Ki of 75 nM) receptors antagonist with antipsychotic activity[1][2].
Dehydromonocrotaline
pyroglutamyl-histidyl-glycine
Rubraca
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XK - Poly (adp-ribose) polymerase (parp) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C62554 - Poly (ADP-Ribose) Polymerase Inhibitor D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
Senicapoc
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Tetrahydrocoptisine
(±)-Stylopine (Tetrahydrocoptisine) is an alkaloid compound originally isolated from Corydalis tubers that exhibits anti-inflammatory and anti-parasitic activities[1][2]. (±)-Stylopine (Tetrahydrocoptisine) is an alkaloid compound originally isolated from Corydalis tubers that exhibits anti-inflammatory and anti-parasitic activities[1][2].
Tetrahydrocoptisine
Stylopine is a natural product found in Fumaria capreolata, Fumaria muralis, and other organisms with data available. (±)-Stylopine (Tetrahydrocoptisine) is an alkaloid compound originally isolated from Corydalis tubers that exhibits anti-inflammatory and anti-parasitic activities[1][2]. (±)-Stylopine (Tetrahydrocoptisine) is an alkaloid compound originally isolated from Corydalis tubers that exhibits anti-inflammatory and anti-parasitic activities[1][2].
Alanyl-2-(1,1-dimethyl-2-propenyl)dehydrotryptophan anhydride
Cyamemazine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Cyamemazine is a neuroleptic agent that contains the phenothiazine chromophore. Cyamemazine is often used as an anxiolytic. Cyamemazine is a potent 5-HT3 (Ki of 12 nM), 5-HT2A (Ki = 1.5 nM) and 5-HT2C (Ki of 75 nM) receptors antagonist with antipsychotic activity[1][2].
5HPP-33
CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5214; ORIGINAL_PRECURSOR_SCAN_NO 5211 CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5214; ORIGINAL_PRECURSOR_SCAN_NO 5213 CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5254; ORIGINAL_PRECURSOR_SCAN_NO 5252 CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5226; ORIGINAL_PRECURSOR_SCAN_NO 5223 CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5314; ORIGINAL_PRECURSOR_SCAN_NO 5312 ORIGINAL_ACQUISITION_NO 5234; CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 5232 CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5234; ORIGINAL_PRECURSOR_SCAN_NO 5232 CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9749; ORIGINAL_PRECURSOR_SCAN_NO 9744 CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9783; ORIGINAL_PRECURSOR_SCAN_NO 9781 CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9807; ORIGINAL_PRECURSOR_SCAN_NO 9805 CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9830; ORIGINAL_PRECURSOR_SCAN_NO 9826 CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9801; ORIGINAL_PRECURSOR_SCAN_NO 9798 CONFIDENCE standard compound; INTERNAL_ID 242; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9831; ORIGINAL_PRECURSOR_SCAN_NO 9828
Dimefline HCL
R - Respiratory system > R07 - Other respiratory system products > R07A - Other respiratory system products > R07AB - Respiratory stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
2-[6-(diethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.710 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.712 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.707 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.708
TEB_M324b *
CONFIDENCE Transformation product, tentative ID (Level 3 structure); INTERNAL_ID 2504
TEB_M324c
CONFIDENCE Transformation product, tentative ID (Level 3 structure); INTERNAL_ID 2505
12xi-hydroxy-14xi-methyl-(13xiH,15xiH)-15,20-dihydro-18,21-dinor-senecionane-11,16-dione|Crotananin|crotananine
Methoxy,Ac-2-(4-Hydroxyphenyl)-1-methyl-4(1H)-quinolinone6-
(+-)-1,2,10,11-Bismethylendioxyaporphin|(+-)-N-methyl-hernovine|(+-)-N-methyl-ovigerine|7-methyl-6,7,7a,8-tetrahydro-5H-[1,3]dioxolo[4,5:4,5]benzo[1,2,3-de][1,3]dioxolo[4,5:5,6]benzo[1,2-g]quinoline|N-Methyl-ovigerin|N-Methylovigerin
2-(3-methoxycarbonyl-propyl) gardenamide A|genipamide
3-(4-methoxy-3-methyl-2-oxo-2H-pyran-6-yl)butyl pyroglutamate
8-(4-O-methyl-alpha-rhamnopyranosyloxy)-3,4-dihydroquinolin-2(1H)-one
1-Hydoxy-3-methoxy-2-(3-methyl-2-butenyl)-10-methylacridone|1-hydroxy-3-methoxy-2-(3-methylbut-2-enyl)-N-methylacridan-9-one
2-amino-9-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3H-purin-6-one
(S)-2-((S)-3-(1H-Imidazol-4-yl)-2-((S)-pyrrolidine-2-carboxamido)Propanamido)Propanoic acid
n-acetylneuraminic acid methyl ester
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.053 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.052 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.054
Ritodrine hydrochloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents Ritodrine (DU21220) hydrochloride is a potent and orally active β-adrenergic agonist. Ritodrine hydrochloride decreases preterm delivery and uterine contraction. Ritodrine hydrochloride has the potential for the research of preterm labor[1][2].
(3S,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
C17H17N5O2_3-(1H-Imidazol-4-ylmethyl)-6-(1H-indol-3-ylmethyl)-2,5-piperazinedione
gliclazide
A - Alimentary tract and metabolism > A10 - Drugs used in diabetes > A10B - Blood glucose lowering drugs, excl. insulins > A10BB - Sulfonylureas D007004 - Hypoglycemic Agents
(3S,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione [IIN-based: Match]
(3S,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione [IIN-based on: CCMSLIB00000845126]
CP-457920
CONFIDENCE standard compound; INTERNAL_ID 1280; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4233; ORIGINAL_PRECURSOR_SCAN_NO 4230 CONFIDENCE standard compound; INTERNAL_ID 1280; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4258; ORIGINAL_PRECURSOR_SCAN_NO 4256 CONFIDENCE standard compound; INTERNAL_ID 1280; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4255; ORIGINAL_PRECURSOR_SCAN_NO 4253 CONFIDENCE standard compound; INTERNAL_ID 1280; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4244; ORIGINAL_PRECURSOR_SCAN_NO 4242 CONFIDENCE standard compound; INTERNAL_ID 1280; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4263; ORIGINAL_PRECURSOR_SCAN_NO 4259 CONFIDENCE standard compound; INTERNAL_ID 1280; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8818; ORIGINAL_PRECURSOR_SCAN_NO 8816 CONFIDENCE standard compound; INTERNAL_ID 1280; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8814; ORIGINAL_PRECURSOR_SCAN_NO 8811 CONFIDENCE standard compound; INTERNAL_ID 1280; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8832; ORIGINAL_PRECURSOR_SCAN_NO 8830 CONFIDENCE standard compound; INTERNAL_ID 1280; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8850; ORIGINAL_PRECURSOR_SCAN_NO 8845 CONFIDENCE standard compound; INTERNAL_ID 1280; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8851; ORIGINAL_PRECURSOR_SCAN_NO 8850 CONFIDENCE standard compound; INTERNAL_ID 1280; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8856; ORIGINAL_PRECURSOR_SCAN_NO 8854
3-Pyrrolidineacetic acid, 1-ethyl-5-oxo-4,4-diphenyl- (9CI)
2H-1-Benzopyran-2-one, 3-[1-(4-aminophenyl)-3-oxobutyl]-4-hydroxy-, (S)- (Acenocoumarol metabolite)
Mukonicine
Neolitsine
Romucosine
2-[(4-phenylpiperazin-1-yl)methyl]-1-benzothiophen-5-amine
5-METHOXY-N-(2-(THIOPHEN-2-YL)ETHYL)-1,2,3,4-TETRAHYDRONAPHTHALEN-2-AMINE HYDROCHLORIDE
1-(Isopropyl(dimethyl)-lambda~5~-azanyl)-3-(1-naphthyloxy)-2-propanol
tert-butyl 4-(5-nitropyridin-2-yl)oxypiperidine-1-carboxylate
1-(TERT-BUTOXYCARBONYL)-4-(4-FLUOROPHENYL)PIPERIDINE-4-CARBOXYLIC ACID
METHYL 2-METHYL-8-OXO-3-PHENYL-5,6,7,8-TETRAHYDRO-1-OXA-7A-AZAINDACENE-4-CARBOXYLATE
tert-butyl 4-(3-nitropyridin-2-yl)oxypiperidine-1-carboxylate
(1r,2r)-2-(naphthalene-2,3-dicarboximido)cyclohexanecarboxylic acid
4-(TERT-BUTOXYCARBONYL(4-METHOXYBENZYL)AMINO)BUTANOIC ACID
(4-ISOPROPYLPHENYL)(2-NITRO-5-(PROP-2-YNYLOXY)PHENYL)METHANONE
2-N-BOC-3-(4-METHOXY-PHENYL)-2-METHYLAMINOMETHYL-PROPIONIC ACID
2-N-BOC-3-(3-METHOXY-PHENYL)-2-METHYLAMINOMETHYL-PROPIONIC ACID
(2S,4R)-1-(tert-Butoxycarbonyl)-4-(2-fluorobenzyl)pyrrolidine-2-carboxylic acid
METHYL 2-N-BOC-2-AMINOMETHYL-3-(3-METHOXY-PHENYL)-PROPIONATE
Renzapride
Renzapride (BRL 24924), a substituted benzamide, is a full 5-HT4 receptor agonist with a Ki value of 115 nM. Renzapride (BRL 24924) is also a 5HT2b and 5HT3 receptor antagonist[1]. Renzapride could be used for constipation predominant irritable bowel syndrome (C-IBS) study[2].
(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-2-carboxylic acid
(S)-5-GUANIDINO-2-(4-NITROBENZAMIDO)PENTANOIC ACID
N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzamide
ethyl 5,5,5-trifluoro-4-naphthalen-1-yliminopentanoate
(2S)-2-phenyl-2-[[(1S)-1-[4-(trifluoromethyl)phenyl]propyl]amino]ethanol
N-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
H-Ala-Tyr-Ala-OH
N-(3-HYDROXY-4,7,7-TRIMETHYL-BICYCLO[2.2.1]HEPT-2-YL)-4-METHYL-BENZENESULFONAMIDE
(3S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(4-FLUOROPHENYL)PIPERIDINE-3-CARBOXYLIC ACID
(3R,4R)-1-(TERT-BUTOXYCARBONYL)-4-(4-FLUOROPHENYL)PIPERIDINE-3-CARBOXYLIC ACID
METHYL (2S,5R)-1-CBZ-5-HYDROXY-6-METHOXYPIPECOLINATE
N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-4-pyrazolyl)butane-1-sulfonamide
(4-(4-Aminoquinazolin-2-yl)piperazin-1-yl)(furan-2-yl)methanone
tert-butyl 5-chloro-2-trimethylsilylindole-1-carboxylate
2-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
2-[3-(2H-Benzotriazol-2-yl)-4-hydroxyphenyl]ethyl methacrylate
TRANS-METHYL 1-(METHYLSULFONYL)SPIRO[CYCLOHEXANE-1,3-INDOLINE]-4-CARBOXYLATE
5-(PIPERIDINE-1-SULFONYL)-2-PIPERIDIN-1-YL-PHENYLAMINE
(9H-FLUOREN-9-YL)METHYL 3-HYDROXYPIPERIDINE-1-CARBOXYLATE
(1s,2s)-2-(naphthalene-2,3-dicarboximido)cyclohexanecarboxylic acid
(R)-tert-butyl 3-(3-chlorobenzoyl)piperidine-1-carboxylate
N-[4-(2,4,6-TRIMETHYLPHENYL)-2-THIAZOLYL]-4-PYRIDINECARBOXAMIDE
4-(Phenylaminocarbonyl)benzeneboronic acid pinacol ester
[4-(6-aminopurin-9-yl)-2-ethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
3-hydroxy-N-(1-methylpyrazol-3-yl)-5-phenylmethoxybenzamide
methyl 1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxylate
9H-fluoren-9-ylmethyl (3R)-3-hydroxypiperidine-1-carboxylate
9H-fluoren-9-ylmethyl (3S)-3-hydroxypiperidine-1-carboxylate
Methyl (1R,2R)-2-[(4-amino-4-biphenylyl)carbonyl]cyclopentanecar boxylate
5-AMINOMETHYL-2-(N,N-DITERT-BUTOXYCARBONYLAMINO)PYRIDINE
(S)-tert-Butyl 2-(benzyloxycarbonylamino)-5-hydroxypentanoate
3-(4-(Trifluoromethyl)phenoxy)-N,N-dimethyl-3-phenylpropan-1-amine
4-(1,1-Dioxido-2-isothiazolidinyl)phenylboronic Acid Pinacol Ester
Phosphonic acid, [[5-(3-fluorophenyl)-2-pyridinyl]Methyl]-, diethyl ester
11-(4-Ethylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine
N,N-bis(trimethylsilyl)aminopropyltrimethoxysilane
2-chloro-N-cyclopentyl-5-(3,3-diethoxy-1-propyn-1-yl)-4-Pyrimidinamine
4-hydroxy-1-methyl-7-phenoxy-3-Isoquinolinecarboxylic acid ethyl ester
(5E)-5-[4-(dimethylamino)benzylidene]-2-mercapto-3-phenyl-3,5-dihydro-4H-imidazol-4-one
1-Propanone,1-benzo[b]thien-3-yl-3-(hexahydro-1H-azepin-1-yl)-, hydrochloride (1:1)
3-Amino-3-iminopropanoic acid 1-(diphenylmethyl)-3-azetidinyl ester
7-BENZYLOXY-4-HYDROXYQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
1-(4-FLUOROPHENYL)-4-ISOPROPYL-2-PHENYL-1H-PYRROLE-3-CARBOXYLICACID
tert-Butyl (2R)-N-(2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-hydroxyethyl)carbamate
ethyl 2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetate
4-(2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)morpholine
1-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-2-carboxylic acid
N-[cis-3-[Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]propane-1-sulfonamide
D - Dermatologicals > D11 - Other dermatological preparations > D11A - Other dermatological preparations > D11AH - Agents for dermatitis, excluding corticosteroids C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Ripasudil
S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
Remetinostat
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
Benzamide, 4-amino-N-1-azabicyclo(3.3.1)non-4-yl-5-chloro-2-methoxy-
1H-Imidazole-4-carboxamide, 1-((1R,2S)-2-hydroxy-1-(2-(1-naphthalenyl)ethyl)propyl)-
Tolciclate
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
2-[2-[[2-Amino-4-[hydroxy(methyl)phosphoryl]butanoyl]amino]propanoylamino]propanoic acid
4-Fluoro-5-((2-methyl-1,4-diazepan-1-yl)sulfonyl)isoquinoline
1-Amino-3-(4-methylphenyl)pyrido[1,2-a]benzimidazole-2,4-dicarbonitrile
(E)-N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-3-(4-fluorophenyl)prop-2-enamide
2-[(E)-2-(dimethylamino)ethenyl]-3-nitro-1-phenylindol-6-ol
(5-Hydroxy-2-phenyl-3-benzofuranyl)-(4-morpholinyl)methanone
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-2-benzofurancarboxamide
[1-(5-Hydroxypentyl)indol-3-yl]-(4-hydroxyphenyl)methanone
1,5-Naphthyridine-3-carboxamide, 6-ethoxy-1,4-dihydro-4-oxo-N-(phenylmethyl)-
5-(4-Chlorophenyl)-2,2-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentane-1,3-diol
4-Piperidino-6-trifluoromethyl-2-(2-hydroxyphenyl)pyrimidine
(6s)-2-Amino-6-(3-Methoxybiphenyl-3-Yl)-3,6-Dimethyl-5,6-Dihydropyrimidin-4(3h)-One
1-[(2r)-2-Aminobutanoyl]-N-(3-Chlorobenzyl)-L-Prolinamide
Ritodrinium
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents Ritodrine (DU21220) hydrochloride is a potent and orally active β-adrenergic agonist. Ritodrine hydrochloride decreases preterm delivery and uterine contraction. Ritodrine hydrochloride has the potential for the research of preterm labor[1][2].
Renzaprida
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
2-[2-[(2-Amino-3-phenylpropanoyl)amino]propanoylamino]-3-hydroxypropanoic acid
10-Hydroxy-2,9-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-3-one
2-Hydroxy-9,10-dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-3-one
Akuammicine(1+)
An ammonium ion that is the conjugate acid of akuammicine, arising from the protonation of the tertiary amino group.
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(2,4-diaminobutyl)oxolane-3,4-diol
(2S,3R,4R)-2-azaniumyl-4-(carbamoyloxymethyl)-7-carboxy-3-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-5-olate
(2S,3R,4R)-2-amino-4-(carbamoyloxymethyl)-3,5-dihydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-7-carboxylic acid
(2S,3R,4S)-2-azaniumyl-4-(carbamoyloxymethyl)-7-carboxy-3-hydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-5-olate
(2S,3R,4S)-2-amino-4-(carbamoyloxymethyl)-3,5-dihydroxy-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-7-carboxylic acid
3-[3-(Benzenesulfonamido)-2-bicyclo[2.2.1]heptanyl]propanoic acid
2-[[3-(4H-imidazol-4-yl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoyl]amino]acetic acid
2-(4-Ethoxyanilino)-3-methoxynaphthalene-1,4-dione
1-[3-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)amino]propyl]-2-pyrrolidinone
10-(4-methoxyphenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione
2-phenoxyacetic acid (8-methyl-2-oxo-1H-quinolin-3-yl)methyl ester
1-[(1,2-Dimethyl-5-indolyl)methyl]-3-(phenylmethyl)thiourea
2-(1-(Benzofuran-2-yl)ethylidene)-N-(2-methylphenyl)hydrazinecarbothioamide (3p)
N-(4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
N-[4-[(cyclohexylamino)-oxomethyl]phenyl]-3-pyridinecarboxamide
2-(3-amino-3-oxopropyl)-3-(4-methylbenzoyl)-2H-indazole 1-oxide
1-ethyl-2-hydroxy-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide
2-(2,3-dimethylphenoxy)-N-(2-oxo-1-benzopyran-6-yl)acetamide
2-(5-Butylthiophen-2-yl)-2,5-dihydropyrazolo[4,3-c]quinolin-3-one
8-(Diethylaminomethyl)-7-hydroxy-4-phenyl-1-benzopyran-2-one
N-[[(4-methyl-1,2-dihydroisoquinolin-3-yl)amino]-sulfanylidenemethyl]benzamide
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methyl-4-pyridinecarboxamide
5-[(4-Fluorophenyl)methylamino]-2-(2-methoxyphenyl)-4-oxazolecarbonitrile
1-Pyrrolidinyl-[5-(6-quinolinyloxymethyl)-3-isoxazolyl]methanone
N-(2-hydroxyethyl)-3-methyl-5H-indazolo[2,3-a][3,1]benzoxazine-9-carboxamide
3-{[(E)-(2,4-dihydroxyphenyl)methylidene]amino}-2-propylquinazolin-4(3H)-one
Phenyl-[1-(4-thieno[2,3-d]pyrimidinyl)-4-piperidinyl]methanone
1-(1,3-Benzodioxol-5-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol
5,5-dimethyl-2-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)iminomethyl]cyclohexane-1,3-dione
(1S,12S,14R,15E)-15-ethylidene-17-methyl-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylic acid
5-(Diethoxymethyl)-3-[(diethoxyphosphinyl)methyl]-2-isoxazoline
2-Deamino-2-hydroxyneamine
An amino cyclitol glycoside that is 2-deoxystreptamine in which the pro-R hydroxy group is substituted by a 6-amino-6-deoxy-alpha-D-glucosyl residue.
methyl 2,2-dimethyl-4,6-dioxo-5-[(E)-N-prop-2-enoxy-C-propylcarbonimidoyl]cyclohexane-1-carboxylate
3-[2-(3,4-Dimethoxyphenyl)ethyl]-4-methoxyquinoline
(S)-stylopine
A berberine alkaloid isolated from the plants of the family papaveraceae.
(S)-Renzapride
(S)-Renzapride ((S)-BRL 24924) is the isomer of HY-14147 Renzapride. Renzapride is a 5-HT4 receptor agonist with a Ki value of 115 nM. Renzapride also is a 5HT2b and 5HT3 receptor antagonist. Renzapride can be used for constipation predominant irritable bowel syndrome (C-IBS) study[1][2].
Cbz-Asn-Gly-OH
Cbz-Asn-Gly-OH is a polypeptide that can be found by peptide screening. Peptide screening is a research tool that pools active peptides primarily by immunoassay. Peptide screening can be used for protein interaction, functional analysis, epitope screening, especially in the field of agent research and development[1].
TASP0415914
TASP0415914 is a potent and orally active PI3Kγ inhibitor with an IC50 of 29 nM. TASP0415914 also shows potent Akt inhibitory activities with an IC50 of 294 nM. TASP0415914 can be used for inflammatory diseases research[1].
