Exact Mass: 397.1063
Exact Mass Matches: 397.1063
Found 287 metabolites which its exact mass value is equals to given mass value 397.1063,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
acutumine
Acutumine is an alkaloid. Acutumine is a natural product found in Hypserpa nitida, Sinomenium acutum, and other organisms with data available. Dauricumine is a natural product found in Hypserpa nitida, Sinomenium acutum, and Menispermum dauricum with data available.
BENSULIDE
CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4596; ORIGINAL_PRECURSOR_SCAN_NO 4592 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9469; ORIGINAL_PRECURSOR_SCAN_NO 9465 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9501; ORIGINAL_PRECURSOR_SCAN_NO 9497 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9475; ORIGINAL_PRECURSOR_SCAN_NO 9473 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4616; ORIGINAL_PRECURSOR_SCAN_NO 4612 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9463; ORIGINAL_PRECURSOR_SCAN_NO 9460 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4614; ORIGINAL_PRECURSOR_SCAN_NO 4610 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9468; ORIGINAL_PRECURSOR_SCAN_NO 9465 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9473; ORIGINAL_PRECURSOR_SCAN_NO 9472 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4602; ORIGINAL_PRECURSOR_SCAN_NO 4600 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4602; ORIGINAL_PRECURSOR_SCAN_NO 4597 CONFIDENCE standard compound; INTERNAL_ID 1379; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4592; ORIGINAL_PRECURSOR_SCAN_NO 4587
Aureothin
A C-nitro compound that is (3Z)-3-[(2E)-2-methyl-3-(4-nitrophenyl)prop-2-en-1-ylidene]tetrahydrofuran which is substituted by a 6-methoxy-3,5-dimethyl-4-oxo-4H-pyran-2-yl group at position 5. It is isolated from the soil bacterium, Streptomyces thioluteus and exhibits antitumor, antifungal, and insecticidal activities.
4-Keto-ATC
Simulansamide
Simulansamide is found in fruits. Simulansamide is an alkaloid from root bark of Zanthoxylum simulans (Szechuan pepper
5-Taurinomethyl-2-thiouridine
5-taurinomethyl-2-thiouridine is a taurine-containing modified uridine which is present in human mitochondrial (mt) tRNA(Lys). (PMID: 15509579) [HMDB] 5-taurinomethyl-2-thiouridine is a taurine-containing modified uridine which is present in human mitochondrial (mt) tRNA(Lys). (PMID: 15509579).
Hydroxycelecoxib
Hydroxycelecoxib is a metabolite of celecoxib and is only found in individuals that have used or taken this drug (PMID: 10681375). Hydroxycelecoxib belongs to the family of phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton which consists of a pyrazole bound to a phenyl group. Celecoxib (trade name: Celebrex) is a sulfa non-steroidal anti-inflammatory drug (NSAID) and selective COX-2 inhibitor used in the treatment of osteoarthritis, rheumatoid arthritis, acute pain, painful menstruation, and menstrual symptoms, and to reduce numbers of colon and rectum polyps in patients with familial adenomatous polyposis. It is marketed by Pfizer. Celecoxib is available by prescription in capsule form (Wikipedia).
1-(4-Acetyl-2-pyrrolidin-1-ylmethyl-piperazin-1-yl)-2-(3,4-dichloro-phenyl)-ethanone
CI-1044
Deracoxib
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
1,2,4-Triazolo(4,3-b)pyridazine, 7-cyclobutyl-3-(2,6-difluorophenyl)-6-((1-methyl-1H-1,2,4-triazol-5-yl)methoxy)-
MK0343 (MRK-409) is an orally bioavailable GABAA receptor subtype-selective partial agonist. MK0343 is a non-sedating anxiolytic[1].
2-Hydroxy-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Radiprodil
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent Radiprodil (RGH-896) is an orally active and selective NMDA NR2B antagonist. A potential therapeutic agent in treatment of neuropathic pain and possibly other chronic pain conditions[1].
Rivoglitazone
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent
4-Hydroxy-5-[[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
[7-hydroxy-1-(1-hydroxyethyl)-8-methyl-6-oxo-1,2,3,8,10,11-hexahydro-6H-benzo[cd]pyrano[3,4-g]pyrrolo[1,2-a]indol-10-yl]acetic acid
Deracoxib
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
(E)-N-feruloyltyramine diacetate|diacetyl N-trans-feruloyl tyramine|Diacetyl-N-feruloyltyramin|N-trans-feruloyal tyramine diacetate|N-trans-feruloyl tyramine diacetate|N-trans-feruloyltyramine diacetate
(S)-6-acetyl-1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-benzo[de][1,3]dioxolo[4,5:4,5]benzo[1,2-g]quinoline|3-Methoxy-N-acetylnornantenine|N-De-Me,N-Ac-(??)-Phoebine
(2S)-2-{[(1-acetyl-9H-beta-carbolin-3-yl)carbonyl]amino}-5-methoxy-5-oxopentanoic acid|dichotomine G|N-[(1-acetyl-9H-pyrido[3,4-b]indol-3-yl)carbonyl]-L-glutamic acid 5-methyl ester|tunicoidine E
(13bS)-13,16-dimethoxy-4,5,7,8,13b,14-hexahydro-[1,3]dioxino[4,5:7,8]isoquino[3,2-a][1,3]dioxolo[4,5-g]isoquinoline|Bractavin|rac.-Orientalidin
2-methoxy-3,5-dimethyl-6-[(4Z)-4-[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]oxolan-2-yl]pyran-4-one
CI-1044
CONFIDENCE standard compound; INTERNAL_ID 1305; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6780; ORIGINAL_PRECURSOR_SCAN_NO 6778 D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058988 - Phosphodiesterase 4 Inhibitors CONFIDENCE standard compound; INTERNAL_ID 1305; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6785; ORIGINAL_PRECURSOR_SCAN_NO 6781 CONFIDENCE standard compound; INTERNAL_ID 1305; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6803; ORIGINAL_PRECURSOR_SCAN_NO 6801 CONFIDENCE standard compound; INTERNAL_ID 1305; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6797; ORIGINAL_PRECURSOR_SCAN_NO 6796 CONFIDENCE standard compound; INTERNAL_ID 1305; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6814; ORIGINAL_PRECURSOR_SCAN_NO 6812 CONFIDENCE standard compound; INTERNAL_ID 1305; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6816; ORIGINAL_PRECURSOR_SCAN_NO 6813
S-adenosyl-4-methylthio-2-oxobutanoate
A sulfonium betaine that is the conjugate base of S-adenosyl-4-methylthio-2-oxobutanoic acid, arising from deprotonation of the carboxy group.
5-Taurinomethyl-2-thiouridine
Oxaliplatin
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent > C1450 - Platinum Compound
Hydroxycelecoxib
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol,sulfuric acid
Faropenem daloxate
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium chloride
6-TRITYL-5,6,7,7A-TETRAHYDROTHIENO[2,3-C]PYRIDIN-2(4H)-ONE
5,6,7,7a-Tetrahydro-5-(triphenylmethyl)thien[3,2-c]pyridinone
5-ethoxy-4-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophene-2-sulfonamide
1,4-bis(phenylmethoxycarbonyl)piperazine-2-carboxylate
2-[4-[2-hydroxy-2-(3-phenoxypropylamino)ethoxy]phenoxy]acetic acid,hydrochloride
1-TERT-BUTYL 4-ETHYL 4-(IODOMETHYL)PIPERIDINE-1,4-DICARBOXYLATE
H-Ala-Pro-AFC
H-Ala-Pro-AFC is a biological active peptide. (This is a fluorescent peptide, Abs/Em=380/500nm. It is a substrate for dipeptidyl peptidase IV (DPP IV) and Xaa-Pro dipeptidase.)
N,N-DIMETHYL-N-(2-[METHACRYLOYL]ETHYL)-N-(1-OCTYL)AMMONIUM IODIDE
3-(2-Chlorophenyl)-6-fluoro-2-[[(2-fluorophenyl)amino]methyl]-4(3H)-quinazolinone
Glycopyrrolate
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03B - Other drugs for obstructive airway diseases, inhalants > R03BB - Anticholinergics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D002491 - Central Nervous System Agents Glycopyrrolate (Glycopyrronium bromide), a quaternary ammonium derivative, is a muscarinic receptor antagonist. Glycopyrrolate has bronchoprotective effect and produces a beneficial effect on blood pressure. Glycopyrrolate can be used for the research of bronchial diseases[1][2][3].
4-((2-(5-CHLORO-2-FLUOROPHENYL)-6,7-DIHYDRO-5H-CYCLOPENTA[D]PYRIMIDIN-4-YL)AMINO)-N-METHYLNICOTINAMIDE
4,5,6,7-Tetrahydro-5-(triphenylmethyl)-thieno[3,2-c]pyridin-2(3H)-one
Methscopolamine bromide
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics
Brequinar sodium
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C2169 - Dihydroorotate Dehydrogenase Inhibitor D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1-[(2-Cyano-4-biphenylyl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylic acid
6-(2-Chloroethoxy)-N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-4-quinazolinamine
4-(4-Methoxy-4-biphenylylsulfonylaminomethyl)benzoic acid
Glycopyrronium bromide
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03B - Other drugs for obstructive airway diseases, inhalants > R03BB - Anticholinergics C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D002491 - Central Nervous System Agents
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(thian-4-yl)acetic acid
Bradanicline hydrochloride
C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist > C73579 - Nicotinic Agonist
4-O-[2-(Acetylamino)-2-deoxy-beta-D-glucopyranosyl]-beta-D-glucopyranuronic acid
1-[(4-Phenylphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
VU 0365114 is a selective mAChR M5 positive allosteric modulator, with an EC50 of 2.7 μM, and >30 μM for M1, M2, M3 and M4 receptors. VU 0365114 increases insulin secretion stimulated by ACh in human β-cells[1][2][3].
7-Hydroxy-3-(4-methoxyphenoxy)-2-methyl-8-(morpholin-4-ylmethyl)chromen-4-one
5-[(4-Phenyl-1-piperazinyl)-thiophen-2-ylmethyl]-6-thiazolo[3,2-b][1,2,4]triazolol
2-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
2-methylthio-N(6)-(cis-4-hydroxy-Delta(2)-isopentenyl)adenosine
8-hydroxy-N-(3-(imidazo[1,2-a]pyridin-2-yl)phenyl)-2-oxo-2H-chromene-3-carboxamide
Pyrrolidinium, 3-(((2S)-cyclopentylhydroxyphenylacetyl)oxy)-1,1-dimethyl-, bromide, (3R)-
2-(3-Amino-2,5,6-trimethoxyphenyl)ethyl 5-chloro-2,4-dihydroxybenzoate
Rivoglitazone
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent
24-Ethoxy-13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.02,10.04,8.015,23.018,22]pentacosa-2,4(8),9,15(23),16,18(22)-hexaene
2-Acetamido-2-deoxy-3-O-beta-D-glucopyranuronosyl-beta-D-galactopyranose
Bacillithiol(1-)
A carbohydrate acid derivative anion obtained by deprotonation of both carboxy groups and protonation of the amino group of bacillithiol; major species at pH 7.3.
2-(((1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)amino)ethanesulfonic acid
Oxalato(trans-l-1,2-cyclohexanediamine)platinum(II)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XA - Platinum compounds D000970 - Antineoplastic Agents
1-(3,4-Dihydroxyphenyl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone
2-Acetamido-2-deoxy-3-O-beta-D-glucopyranuronosyl-beta-D-glucopyranose
2-(8-methoxy-2-methyl-quinolin-4-yl)sulfanyl-N-[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]ethanehydrazide
N-[3-(4-phenyl-2-thiazolyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide
1-(3,4-Dihydroxyphenyl)-2-[[5-(3-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone
N-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]-2-pyridinecarboxamide
4-chloro-N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-2,5-dimethyl-3-pyrazolecarboxamide
[4-(2-benzimidazolylidene)-3-imino-2-phenyl-1H-pyridazin-6-yl]-thiophen-2-ylmethanone
2-[[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]thio]methyl]-1H-quinazolin-4-one
(5E)-5-(1H-indol-3-ylmethylidene)-1-(naphthalen-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
4-[5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-2-pyridinylbutanamide
4-(6-bromo-1,3-benzodioxol-5-yl)-7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
N-(4-carbamoylphenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
6-Amino-2-ethyl-8-[2-(trifluoromethyl)phenyl]-1,6,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
1-(3,4-Dihydroxyphenyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone
Isonicotinic acid N-[1-[2-(4-fluoro-phenyl)-ethyl]-2,4,6-trioxo-tetrahydro-pyrimidin-(5E)-ylidenemethyl]-hydrazide
4-(3-chlorophenyl)-3-(2-hydroxyphenyl)-5-(3-methoxypropyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
1-[4-[[4-(2-Chloro-6-nitrophenoxy)phenyl]methoxy]phenyl]ethanone
2-hydroxy-N-[(E)-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene]benzohydrazide
2-[[2-[[1-(2,4-Dimethylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester
5-[2-(3,4-Dimethoxyphenyl)ethylamino]-2-[(2-fluorophenoxy)methyl]-4-oxazolecarbonitrile
[5-(3-Chlorophenyl)-3-isoxazolyl]-[4-(2-methoxyphenyl)-1-piperazinyl]methanone
1-[4-(Benzenesulfonyl)-1-piperazinyl]-2-[(4-methyl-2-thiazolyl)thio]ethanone
4-[[2-[(4-Methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester
2-amino-6-[(4-methoxyanilino)methylidene]-7-oxo-4-phenyl-4H-1-benzopyran-3-carbonitrile
3-[3-[4-(3-Chlorophenyl)-1-piperazinyl]-3-oxopropyl]-4-pyrido[2,3-d]pyrimidinone
2-[[[(6-Methyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester
(2R)-(4-hydroxyphenyl)[(3S)-3-{[(2Z)-2-(4-hydroxyphenyl)-2-(oxidoimino)acetyl]amino}-2-oxoazetidin-1-yl]acetate
2-bromo-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide
(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
3-[(2E)-2-(2,4-dihydroxybenzylidene)hydrazinyl]-6-(3,4-dimethoxybenzyl)-1,2,4-triazin-5(2H)-one
[(2S,3S)-3-phenyl-6-(2-thiazolylmethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
[(2R,3R)-3-phenyl-6-(2-thiazolylmethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
[(2S,3R)-3-phenyl-6-(2-thiazolylmethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
alpha-D-GlcNAc-(1->4)-D-GlcA
A carbohydrate acid derivative that consists of D-glucuronic acid having an N-acetyl-alpha-D-glucosaminyl residue attached at position 4. An intermediate glycan in the degradation of heparan sulfate.
2-acetamido-2-deoxy-4-O-alpha-L-idopyranuronosyl-alpha-D-glucopyranose
2-(4-(4-Methoxyphenyl)-6-phenyl-2-pyrimidinylamino)benzoic acid
beta-D-GlcpA-(1->3)-beta-D-GalpNAc
An amino disaccharide consisting of N-acetyl-beta-D-galactosamine having a beta-D-glucuronosyl residue attached at the 3-position.
nocardicin E(2-)
A monocarboxylic acid anion obtained by deprotonation of the carboxy and oxime OH groups of nocardicin E. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
4-de(dimethylamino)-4-oxoanhydrotetracycline
A member of the class of tetracyclines that is anhydrotetracycline in which the dimethylamino group at position 4 has been replaced by a keto group.
beta-D-GlcpA-(1->3)-beta-D-GlcpNAc
An amino disaccharide consisting of N-acetyl-beta-D-glucosamine having a beta-D-glucuronosyl residue attached at the 3-position.
beta-D-GlcpA-(1->3)-D-GlcpNAc
An amino disaccharide consisting of N-acetyl-D-glucosamine having a beta-D-glucuronosyl residue attached at the 3-position.
Benoxathian (hydrochloride)
Benoxathian hydrochloride is a potent α1 adrenoceptor antagonist, can be used for researching anorexia[1].
FAAH-IN-6
FAAH-IN-6 (compound 21d) is a potent, orally active and cross the blood-brain barrier fatty acid amide hydrolase (FAAH) inhibitor with IC50s of 0.72, 0.28 nM for hFAAH, rFAAH, respectively. FAAH-IN-6 shows dose-dependent analgesic efficacy in animal models of both neuropathic and inflammatory pain[1].
HIF-1α-IN-2 (hydrochloride)
HIF-1α-IN-2 hydrochloride is an effective HIF-1α inhibitor with anticancer potencies (IC50s of 28 nM and 15 nM in MDA-MB-231 and MiaPaCa-2 cells, respectively). HIF-1α-IN-2 hydrochloride suppresses HIF-1α expression by blocking transcription and protein translation[1].
Sipagladenant
Sipagladenant (Compound I) is an orally active adenosine receptor A2A inverse agonist[1]. Sipagladenant can be used in frontal lobe dysfunction research[2].
(3e)-3-({6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}methylidene)-6,7-dimethoxy-2-benzofuran-1-one
(1s,1's,5s,6's,8's)-8'-chloro-5-hydroxy-2',3',4-trimethoxy-10'-methyl-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione
3-[4-(acetyloxy)-3-methoxyphenyl]-n-{2-[4-(acetyloxy)phenyl]ethyl}prop-2-enimidic acid
8-benzoyl-2-(5-ethylfuran-2-yl)-6,8,9-trihydroxy-3-methyl-1-oxa-7-azaspiro[4.4]nona-2,6-dien-4-one
10,24-dimethoxy-6,8,20,22-tetraoxa-14-azahexacyclo[12.11.0.0³,¹².0⁴,⁹.0¹⁷,²⁵.0¹⁹,²³]pentacosa-3(12),4(9),10,17(25),18,23-hexaene
(2s,4e)-4-[(2z)-2-{[(1s)-1-carboxy-2-(1h-indol-3-yl)ethyl]imino}ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid
acutumine
{"Ingredient_id": "HBIN014665","Ingredient_name": "acutumine","Alias": "SMR001397290; MLS002473201; NCGC00247495-01; CHEMBL1716763; HMS2196C12; Acutumine","Ingredient_formula": "C19H24ClNO6","Ingredient_Smile": "CN1CCC23C1(CC(C24C(C(=CC4=O)OC)O)Cl)C(=C(C(=O)C3)OC)OC","Ingredient_weight": "397.8 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT01252;SMIT03174","TCMID_id": "603","TCMSP_id": "MOL000619;MOL012908","TCM_ID_id": "7164","PubChem_id": "101286230","DrugBank_id": "NA"}
