Exact Mass: 379.10493060000005
Exact Mass Matches: 379.10493060000005
Found 317 metabolites which its exact mass value is equals to given mass value 379.10493060000005,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Angoline
C22H21NO5 (379.14196560000005)
Angoline is a benzophenanthridine alkaloid. Angoline is a natural product found in Bocconia arborea, Zanthoxylum zanthoxyloides, and other organisms with data available. Angoline is a potent and selective IL6/STAT3 signaling pathway inhibitor with an IC50 of 11.56 μM. Angoline inhibits STAT3 phosphorylation and its target gene expression, and inhibits cancer cell proliferation[1].
S-Lactoylglutathione
C13H21N3O8S (379.10493060000005)
S-Lactoylglutathione is a substrate of lactoylglutathione lyase [EC 4.4.1.5] in pyruvate metabolism (KEGG). Another enzyme, glyoxalase I, synthesizes this compound by converting methylglyoxal and reduced glutathione to S-lactoylglutathione. S-D-lactoylglutathione can be hydrolysed by thiolesterases to reduced glutathione and D-lactate but also converted to N-D-lactoylcysteinylglycine and N-D-lactoylcysteine by gamma-glutamyl transferase and dipeptidase (PMID: 8632674). S-lactoylglutathione has also been shown to modulate microtubule assembly (PMID: 690442). [HMDB]. S-Lactoylglutathione is found in many foods, some of which are blackcurrant, oat, pomegranate, and brussel sprouts. S-Lactoylglutathione is a substrate of lactoylglutathione lyase [EC 4.4.1.5] in pyruvate metabolism (KEGG). Another enzyme, glyoxalase I, synthesizes this compound by converting methylglyoxal and reduced glutathione to S-lactoylglutathione. S-D-lactoylglutathione can be hydrolysed by thiolesterases to reduced glutathione and D-lactate but also converted to N-D-lactoylcysteinylglycine and N-D-lactoylcysteine by gamma-glutamyl transferase and dipeptidase (PMID: 8632674). S-lactoylglutathione has also been shown to modulate microtubule assembly (PMID: 690442). Acquisition and generation of the data is financially supported in part by CREST/JST. D000970 - Antineoplastic Agents KEIO_ID L016; [MS3] KO009026 KEIO_ID L016; [MS2] KO009024 KEIO_ID L016
N-methyl-2,3,7,8-tetramethoxybenzophenanthridine-6(5H)-one
C22H21NO5 (379.14196560000005)
Gonyautoxin V
Gonyautoxin V is found in mollusks. Gonyautoxin V is produced by Gonyaulax and Protogonyaulax species. Production by Gonyaulax and Protogonyaulax subspecies Gonyautoxin V is found in mollusks. D009676 - Noxae > D011042 - Poisons > D008978 - Mollusk Venoms D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D009676 - Noxae > D011042 - Poisons > D014688 - Venoms
Hyaluronan biosynthesis, precursor 1
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.
(R)-S-lactoylglutathionate(1-)
C13H21N3O8S (379.10493060000005)
(R)-S-lactoylglutathionate(1-) is also known as (R)-S-Lactoylglutathionic acid anion. (R)-S-lactoylglutathionate(1-) is considered to be slightly soluble (in water) and acidic
Griseolic acid
Methyl 2-(2-acetoxy-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-(2-chlorophenyl)acetate
C18H18ClNO4S (379.0645018000001)
Desmethyl Erlotinib
C21H21N3O4 (379.15319860000005)
2H-1-Benzopyran-2-one, 7-[[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]oxy]-4-methyl-
2-({6-Amino-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl}sulfanyl)acetamide
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058913 - Purinergic Agonists BAY 60-6583 is a potent and high-affinity agonist of adenosine A2B receptor (EC50?= 3 nM) over A1, A2A, and A3 receptors. BAY 60-6583 binds to mouse, rabbit, and dog A2BAR with Ki values of 750 nM, 340 nM and 330 nM, respectively. BAY 60-6583 has a cardioprotective effect in a myocardial ischemia model[1][5].
Dimethane sulfonate
Licofelone
C23H22ClNO2 (379.13389820000003)
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 D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents Licofelone (ML-3000) is a dual COX/5-lipoxygenase (5-LOX) inhibitor (IC50=0.21/0.18 μM, respectively) for the treatment of osteoarthritis. Licofelone exerts anti-inflammatory and anti-proliferative effects. Licofelone induces apoptosis, and decreases the production of proinflammatory leukotrienes and prostaglandins[1][2][3].
N-(p-Toluenesulfonyl)-L-phenylalanyl Chloromethyl Ketone
C18H18ClNO4S (379.0645018000001)
2-Amino-5-[[1-[carboxymethyl(2-hydroxypropanoyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
C13H21N3O8S (379.10493060000005)
Cyclohexanecarboxamide, N-(2-((ethylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-
C15H20F3N3O3S (379.11774060000005)
2-(4-(3-Ethynylanilino)-6-(2-methoxyethoxy)quinazolin-7-yl)oxyethanol
C21H21N3O4 (379.15319860000005)
Bocconoline
C22H21NO5 (379.14196560000005)
Bocconoline is a natural product found in Zanthoxylum asiaticum, Zanthoxylum simulans, and other organisms with data available.
12-Hydroxydihydrochelirubine
A benzophenanthridine alkaloid comprising dihydrochelirubine carrying a hydroxy substituent at the 12-position.
3-(2,3-Dihydro-1H-indol-1-yl)-2-{[5-(trifluoromethyl)-2-pyridyl]sulfonyl}acrylonitrile
L-gamma-Glutamyl-S-4-(2-hydroxybutyl)-L-cysteinyl-glycine
This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 16HP2005 to the Mass Spectrometry Society of Japan.
L-gamma-Glutamyl-S-3-(1-hydroxybutyl)-L-cysteinyl-glycine
This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 16HP2005 to the Mass Spectrometry Society of Japan.
2-(4-Hydroxyphenyl)-2-(5-oxopyrrolidine-2-yl)-4-(3,4-dihydroxyphenyl)-4-cyclopentene-1,3-dione
6-methoxy-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|Chelirubin|chelirubine
1,2,4-Trimethoxy-12,13-dihydro-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridine
C22H21NO5 (379.14196560000005)
2-deoxy-N-glycoloyl-9-O-lactoyl-2,3-didehydroneuraminic acid
4-(9H-beta-carbolin-1-ylmethyl)-5-(1-hydroxy-ethyl)-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carboxylic acid methyl ester|Hydroxylyalidin|Hydroxylyalidine
C21H21N3O4 (379.15319860000005)
Licofelone
C23H22ClNO2 (379.13389820000003)
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 D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents Licofelone (ML-3000) is a dual COX/5-lipoxygenase (5-LOX) inhibitor (IC50=0.21/0.18 μM, respectively) for the treatment of osteoarthritis. Licofelone exerts anti-inflammatory and anti-proliferative effects. Licofelone induces apoptosis, and decreases the production of proinflammatory leukotrienes and prostaglandins[1][2][3].
C24H17N3O2_(7Z)-7-Benzylidene-6-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
Hymecromone, O-(2-Acetamido-2-deoxy-beta-D-glucopyranoside)
Coumarins
Cys Gly Asn Ser
C12H21N5O7S (379.11616360000005)
Cys Gly Ser Asn
C12H21N5O7S (379.11616360000005)
Cys Asn Gly Ser
C12H21N5O7S (379.11616360000005)
Cys Asn Ser Gly
C12H21N5O7S (379.11616360000005)
Cys Ser Gly Asn
C12H21N5O7S (379.11616360000005)
Cys Ser Asn Gly
C12H21N5O7S (379.11616360000005)
Gly Cys Asn Ser
C12H21N5O7S (379.11616360000005)
Gly Cys Ser Asn
C12H21N5O7S (379.11616360000005)
Gly Asn Cys Ser
C12H21N5O7S (379.11616360000005)
Gly Asn Ser Cys
C12H21N5O7S (379.11616360000005)
Gly Ser Cys Asn
C12H21N5O7S (379.11616360000005)
Gly Ser Asn Cys
C12H21N5O7S (379.11616360000005)
Asn Cys Gly Ser
C12H21N5O7S (379.11616360000005)
Asn Cys Ser Gly
C12H21N5O7S (379.11616360000005)
Asn Gly Cys Ser
C12H21N5O7S (379.11616360000005)
Asn Gly Ser Cys
C12H21N5O7S (379.11616360000005)
Asn Ser Cys Gly
C12H21N5O7S (379.11616360000005)
Asn Ser Gly Cys
C12H21N5O7S (379.11616360000005)
Ser Cys Gly Asn
C12H21N5O7S (379.11616360000005)
Ser Cys Asn Gly
C12H21N5O7S (379.11616360000005)
Ser Gly Cys Asn
C12H21N5O7S (379.11616360000005)
Ser Gly Asn Cys
C12H21N5O7S (379.11616360000005)
Ser Asn Cys Gly
C12H21N5O7S (379.11616360000005)
Ser Asn Gly Cys
C12H21N5O7S (379.11616360000005)
Chondroitin
Angiotensin I-Converting Enzyme (ACE) Inactivator
C21H21N3O4 (379.15319860000005)
7-FLUORO-3,4-DIHYDRO-4-[(5-ISOQUINOLINYLOXY)ACETYL]-3,3-DIMETHYL-2(1H)-QUINOXALINONE
C21H18FN3O3 (379.13321299999996)
4-(4-fluorobenzoyl)piperidine p-toluenesulfonate
C19H22FNO4S (379.12535040000006)
5-AMINOPENTANOIC ACID-BENZYL ESTER P-TOSYLATE
C19H25NO5S (379.14533600000004)
Urea, N-(4-chlorophenyl)-N-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethyl]- (9CI)
Urea, N-(2-chlorophenyl)-N-[2-[(3-cyano-8-methyl-2-quinolinyl)amino]ethyl]- (9CI)
Urea, N-(2-chlorophenyl)-N-[2-[(3-cyano-6-methyl-2-quinolinyl)amino]ethyl]- (9CI)
cobalt,fluoren-9-one,1,2,3,4,5-pentamethylcyclopentane
L-Valine benzyl ester p-toluenesulfonate salt
C19H25NO5S (379.14533600000004)
3,7-diphenyl-6-(pyridin-2-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine
4-methylumbelliferyl-2-acetamido-2-deoxy-alpha-d-glucopyranoside
METHYL 4-(((BENZYLOXY)CARBONYL)AMINO)-2-FLUORO-[1,1-BIPHENYL]-3-CARBOXYLATE
METHYL 4-(((BENZYLOXY)CARBONYL)AMINO)-6-FLUORO-[1,1-BIPHENYL]-3-CARBOXYLATE
4-Methylumbelliferyl-N-acetyl-beta-D-galactosaminide hydrate
6-Oxo-2-phenyl-5-[[(phenylmethoxy)carbonyl]amino]-1(6H)-pyrimidineacetic acid
1-Benzyl-N-[(benzyloxy)carbonyl]-L-histidine
C21H21N3O4 (379.15319860000005)
1,2,3-Trimethyl-1-benzyl-1H-benzo[e]indolium bromide
C22H22BrN (379.09355120000004)
(S)-Fmoc-2-amino-4,4,4-trifluoro-butyric acid
C19H16F3NO4 (379.10313720000005)
BOC-THIONOVAL-1-(6-NITRO)BENZOTRIAZOLIDE
C16H21N5O4S (379.1314186000001)
benzyltrimethylammonium 1,1,3,3,3-pentafluoro-2-hydroxypropanesulfonate
C13H18F5NO4S (379.0876648000001)
(1-methylpiperidin-4-yl) 2-chloro-2,2-diphenylacetate,hydrochloride
4-[(2E)-2-(8-oxoquinolin-5-ylidene)hydrazinyl]naphthalene-1-sulfonic acid
C19H13N3O4S (379.0626738000001)
N-FMOC-AMINO-4-KETOCYCLOHEXYLCARBOXYLIC ACID
C22H21NO5 (379.14196560000005)
FMOC-D,L-ALPHA-AMINO-2-THIOPHENACETIC ACID
C21H17NO4S (379.08782420000006)
TERT-BUTYL 4-(5-BROMO-1H-INDAZOL-3-YL)PIPERIDINE-1-CARBOXYLATE
1H-Pyrrolo[2,3-b]pyridine-3-ethanamine, N,N-dimethyl-1-(2-naphthalenylsulfonyl)-
C21H21N3O2S (379.13544060000004)
4,11-diamino-2-(3-methoxypropyl)-1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone
(2R,3R,4S,5S)-2-[6-(3-bicyclo[2.2.1]heptanylamino)purin-9-yl]-5-(chloromethyl)oxolane-3,4-diol
C17H22ClN5O3 (379.1411092000001)
6-((1-(3-FLUORO-5-(TRIFLUOROMETHYL)BENZYL)PIPERIDIN-4-YL)AMINO)PYRIDAZINE-3-CARBONITRILE
N-methyl-2-nitro-4-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxyaniline
sodium,2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
C19H15ClNNaO4 (379.0587260000001)
4-(4-METHYL-5-(2-(TRIFLUOROMETHYL)PHENYL)-4H-1,2,4-TRIAZOL-3-YL)BICYCLO[2.2.2]OCTANE-1-CARBOXYLIC ACID
C19H20F3N3O2 (379.15075360000003)
4-[(2-Butyl-4-chloro-5-hydroxymethyl-1H-imidazol-1-yl)methyl]-1,1-biphenyl-2-carbonitrile
C22H22ClN3O (379.14513120000004)
4-(3-(2,5-DIFLUOROPHENYL)-5,5-DIMETHYL-4-OXO-4,5-DIHYDROFURAN-2-YL)BENZENESULFONAMIDE
C18H15F2NO4S (379.0689814000001)
2-[4-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]vinyl]phenyl]benzoxazole
5-[(3-chlorophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-1-(phenylamino)nicotinonitrile
C19H14ClN5O2 (379.08359740000003)
(4-N-(Benzhydryloxycarbonyl)cytosine)-1-acetic acid
Desmethyl Erlotinib
C21H21N3O4 (379.15319860000005)
DesMethyl BendaMustine Hydrochloride
C15H20Cl3N3O2 (379.06210300000004)
(3-Chloro-5-trifluoroMethyl-3,4,5,6-tetrahydro-2H-[1,2]bipyridinyl-3-yl)-carbaMic acid tert-butyl ester
1-(2-AMINO-PHENYL)-PIPERIDIN-3-CARBAMICACIDTERT-BUYTLESTER
C21H21N3O4 (379.15319860000005)
4-Methylumbelliferyl 2-amino-2-deoxy-a-D-glucopyranoside
6-BROMO-1-(TETRAHYDRO-2H-PYRAN-2-YL)-N-(TETRAHYDRO-2H-PYRAN-4-YL)-1H-INDAZOL-3-AMINE
5-(3-((2S)-(1,4-Benzodioxan-2-ylmethyl)amino)propoxy)-1,3-benzodioxol hydrochloride
C19H22ClNO5 (379.11864320000007)
Fuzapladib
C15H20F3N3O3S (379.11774060000005)
C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C2144 - Endothelial-Specific Integrin/Survival Signaling Inhibitor D004791 - Enzyme Inhibitors > D064801 - Phospholipase A2 Inhibitors C308 - Immunotherapeutic Agent > C574 - Immunosuppressant Fuzapladib (IS-741), an orally active leukocyte-function-associated antigen type 1 (LFA-1) activation inhibitor, is a leukocyte adhesion molecule. Fuzapladib is also a phospholipase A2 (PLA2) inhibitor. Fuzapladib exerts anti-inflammatory effects by inhibiting leukocyte migration into the inflammatory site[1][2].
Dimethane sulfonate
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
Methyl 2-(2-acetoxy-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-(2-chlorophenyl)acetate
C18H18ClNO4S (379.0645018000001)
N2,N2-dimethyl-6-[[[1-(1-naphthalenyl)-5-tetrazolyl]thio]methyl]-1,3,5-triazine-2,4-diamine
gamma-Glutamyl-cysteinyl-glutamic acid
C13H21N3O8S (379.10493060000005)
6-[2-amino-5-(4-methoxyphenoxy)-1H-pyrimidin-6-ylidene]-3-(2-methylprop-2-enoxy)-1-cyclohexa-2,4-dienone
C21H21N3O4 (379.15319860000005)
2-[(4-Chlorophenyl)methyl]-6-phenyl-5-(1-piperidinyl)-3-pyridazinone
C22H22ClN3O (379.14513120000004)
2-[(3-Chlorophenyl)methyl]-6-phenyl-5-(1-piperidinyl)-3-pyridazinone
C22H22ClN3O (379.14513120000004)
2-(4-chlorophenyl)-N-[4-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
C20H14ClN3O3 (379.0723644000001)
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2,5-dioxo-1-pyrrolidinyl)benzamide
C20H17N3O3S (379.09905720000006)
4-amino-3-(4-ethoxyphenyl)-N-(2-oxolanylmethyl)-2-sulfanylidene-5-thiazolecarboxamide
2-(4-benzofuro[3,2-d]pyrimidinylthio)-N-(2-ethoxyphenyl)acetamide
C20H17N3O3S (379.09905720000006)
2-[[1-(phenylmethyl)-3-indolyl]thio]-N-(2-thiazolyl)acetamide
3-{2-[(propan-2-yl)amino]acetamido}-N-[3-(trifluoromethyl)phenyl]benzamide
C19H20F3N3O2 (379.15075360000003)
3-[Isopropyl(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
C22H21NO3S (379.1242076000001)
1-(5-Chloro-2-Methoxyphenyl)-3-{6-[2-(Dimethylamino)-1-Methylethoxy]pyrazin-2-Yl}urea
C17H22ClN5O3 (379.1411092000001)
Pyridoxyl-glutamic acid-5-monophosphate
C13H20N2O9P+ (379.09063800000007)
[1-Propylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
C17H24F3NO3S (379.1428910000001)
beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GalpNAc
An amino disaccharide consisting of N-acetyl-beta-D-galactosamine having a 4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl residue attached at the 3-position.
Meticillin sodium
C17H19N2O6S- (379.09637740000005)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
(2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trien-1-yl diphosphate
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1-hydroxy-3-[(2E,4E,6E)-8-methyldeca-2,4,6-trienoyl]-5-(4-oxidophenyl)-2-oxopyridin-4-olate
C22H21NO5-2 (379.14196560000005)
3,3-Dimethyl-2-oxobutyric acid 5-(6-aminopurin-9-yl)-3,4-dihydroxytetrahydrofuran-2-ylmethyl ester
C16H21N5O6 (379.14917660000003)
L-Tyr-3-[[(E)-4-Methoxy-4-oxo-2-butenoyl]amino]-L-Ala-OH
(2R,3R,4S)-2-[(2R,3R,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
5-amino-2-(1-ethylpropyl)-6-[(Z)-(2-methylindol-3-ylidene)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C20H21N5OS (379.14667360000004)
4-Cyanobenzoic acid [6-[[(4-methyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester
C19H13N3O4S (379.0626738000001)
6-(4-fluoro-1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)-4-quinazolinamine
1-Benzimidazolyl-[2-(4-methoxyphenyl)-4-quinolinyl]methanone
N-[1-(2-chloro-6-fluorobenzyl)-4-piperidinyl]-N-(4-fluorophenyl)urea
1-[4-(4-Phenoxyphenyl)-2-thiazolyl]-4-piperidinecarboxamide
C21H21N3O2S (379.13544060000004)
Tyr-FMDP
A dipeptide composed of 3-{[(2E)-4-methoxy-4-oxobut-2-enoyl]amino}alanine and L-tyrosine joined by peptide linkages.
5-(3,4-Dimethoxyphenyl)-2-(4-methylphenyl)-4-thieno[2,3-d][1,3]oxazinone
C21H17NO4S (379.08782420000006)
N-[1-(2-methoxyphenyl)-5-benzimidazolyl]benzenesulfonamide
C20H17N3O3S (379.09905720000006)
N-[4-(diethylamino)-2-methylphenyl]-2-[(2-nitro-3-thiophenyl)thio]acetamide
[[2-[5-(2-Chlorophenyl)-1-tetrazolyl]-6,8-dioxabicyclo[3.2.1]octan-4-ylidene]amino]thiourea
N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)benzenesulfonamide
C20H17N3O3S (379.09905720000006)
2-(4-chlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)acetamide
C20H14ClN3O3 (379.0723644000001)
2-(2-chlorophenyl)-9-(3-methylphenyl)-8-oxo-7H-purine-6-carboxamide
C19H14ClN5O2 (379.08359740000003)
4-(2,5-dimethoxyphenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
2-(5-chloro-2-pyridinyl)-3-(4-ethoxyanilino)-3H-isoindol-1-one
N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide
2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-3-ethyl-4-quinazolinone
C21H21N3O2S (379.13544060000004)
(5E)-3-[(2-fluorophenyl)methyl]-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]imidazolidine-2,4-dione
[4-[(E)-(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
C20H14ClN3O3 (379.0723644000001)
1-(2,3-Dihydroindol-1-yl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone
C20H21N5OS (379.14667360000004)
2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-oxolanylmethyl)-2-thiazolamine
1-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-3-(3-pyridinylmethyl)thiourea
C20H21N5OS (379.14667360000004)
1-[2-(4-Methylphenyl)-3-indolizinyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethanone
N-(2-chloroethyl)-N-(6-chloro-2-methoxyacridin-9-yl)propane-1,3-bis(aminium)
N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-1,3-benzodioxole-5-carboxamide
C19H13N3O6 (379.08043180000004)
[(3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-phosphonooxyoxan-2-yl] 2-aminobenzoate
2-(alpha-Furyl)-6-hydroxychromanone para-nitrobenzoate
C20H13NO7 (379.06919880000004)
(R)-S-Lactoylglutathione
C13H21N3O8S (379.10493060000005)
The S-[(R)-lactoyl] derivative of glutathione. It is an intermediate in the pyruvate metabolism. D000970 - Antineoplastic Agents
Gonyautoxin V
D009676 - Noxae > D011042 - Poisons > D008978 - Mollusk Venoms D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D009676 - Noxae > D011042 - Poisons > D014688 - Venoms
3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose
N-acetyl-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-D-galactosamine
2-({6-Amino-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl}sulfanyl)acetamide
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058913 - Purinergic Agonists BAY 60-6583 is a potent and high-affinity agonist of adenosine A2B receptor (EC50?= 3 nM) over A1, A2A, and A3 receptors. BAY 60-6583 binds to mouse, rabbit, and dog A2BAR with Ki values of 750 nM, 340 nM and 330 nM, respectively. BAY 60-6583 has a cardioprotective effect in a myocardial ischemia model[1][5].
2-methylthio-N(6)-(cis-4-hydroxy-Delta(2)-isopentenyl)adenosine residue
C16H21N5O4S (379.1314186000001)
A nucleoside residue in which an adenosine residue has been modified by substitution at C-2 by a methylthio (methylsulfanyl) group and at the 6-amino nitrogen by a cis-4-hydroxy-Delta(2)-isopentenyl group.
beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GlcpNAc
An amino disaccharide consisting of N-acetyl-beta-D-glucosamine having a 4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl residue attached at the 3-position.
5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl hydrogen sulfate
An aryl sulfate obtained by sulfation of the phenolic hydroxy group of the anti-inflammatory drug, E3040. It is one of the major metabolites of E3040.
3-(4-deoxy-beta-D-gluc-4-enosyluronic acid)-N-acetyl-D-glucosamine
An amino disaccharide consisting of N-acetyl-beta-D-glucosamine having a 4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl residue attached at the 3-position.
2-trans,6-trans-farnesyl diphosphate(3-)
An organophosphate oxoanion that is the trianion obtained by removal of the three protons from the diphosphate group of 2-trans,6-trans-farnesyl diphosphate.
ML381
C21H21N3O4 (379.15319860000005)
ML381 (VU0488130) is a highly selective, central nervous system penetrant mAChR M5 orthogonal antagonist (IC50 = 450 nM; Ki = 340 nM). ML381 is unstable in rat plasma and can be mainly used as a molecular probe for in vitro and electrophysiological studies[1][2].
Vicagrel
C18H18ClNO4S (379.0645018000001)
Vicagrel is a potent, safe and orally active antiplatelet agent, which works by irreversibly inhibiting P2Y12 receptor. Vicagrel can be used for the research of blood clots in coronary artery disease, peripheral vascular disease, and cerebrovascular disease[1][2].
(10e)-9-methyl-10-(phenylmethylidene)-1,9,12-triazatetracyclo[9.8.0.0²,⁷.0¹³,¹⁸]nonadeca-2,4,6,11,13,15,17-heptaene-8,19-dione
2,3,7,8-tetramethoxy-5-methylbenzo[c]phenanthridin-6-one
C22H21NO5 (379.14196560000005)
(8z)-1,10-dihydroxy-8-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-3-oxa-6,9-diazatricyclo[4.4.0.0²,⁴]dec-9-en-7-one
C21H21N3O4 (379.15319860000005)
(3s)-3-[(1r)-1-[(2s,5s)-3,6-dihydroxy-5-[(s)-methanesulfinylmethyl]-2,5-dihydropyrazin-2-yl]ethyl]-3-hydroxy-1-methylindol-2-one
C17H21N3O5S (379.12018560000007)
3-(1-hydroxyethyl)-6-(1h-indol-3-ylmethyl)-3,6-bis(methylsulfanyl)pyrazine-2,5-diol
n-sulfo{[(3as,4r,10as)-10,10-dihydroxy-2,6-diimino-hexahydro-1h-pyrrolo[1,2-c]purin-4-yl]methoxy}carboximidic acid
4-(3,4-dihydroxyphenyl)-2-(5-hydroxy-3,4-dihydro-2h-pyrrol-2-yl)-2-(4-hydroxyphenyl)cyclopent-4-ene-1,3-dione
(2s)-2-amino-4-{[(1r)-1-(carboxymethyl-c-hydroxycarbonimidoyl)-2-{[(2r)-2-hydroxypropanoyl]sulfanyl}ethyl]-c-hydroxycarbonimidoyl}butanoic acid
C13H21N3O8S (379.10493060000005)
[(20r)-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-yl]methanol
C22H21NO5 (379.14196560000005)
5- O- nitrosouridine
C12H15ClFN5O6 (379.06948520000003)
{"Ingredient_id": "HBIN011870","Ingredient_name": "5- O- nitrosouridine","Alias": "5-O-nitrosouridine","Ingredient_formula": "C12H15ClFN5O6","Ingredient_Smile": "C1C(C(OC1N2C=C(C(=O)NC2=O)F)CO)NC(=O)N(CCCl)N=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39659;39162","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(20s)-17,18,20-trimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaene
C22H21NO5 (379.14196560000005)
5-hydroxy-6-(hydroxymethyl)-3-(1h-indol-3-ylmethyl)-1-methyl-3,6-bis(methylsulfanyl)pyrazin-2-one
[(3as,4r,9s,10s,10as)-10-hydroxy-2,6-diimino-9-(sulfooxy)-octahydropyrrolo[1,2-c]purin-4-yl]methoxycarboximidic acid
1-hydroxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-2,14,20-trione
C21H21N3O4 (379.15319860000005)
[(3ar,4r,9s,10s,10as)-4-[(carbamoyloxy)methyl]-10-hydroxy-2,6-diimino-octahydropyrrolo[1,2-c]purin-9-yl]oxidanesulfonic acid
6-(3,7-dimethylocta-2,6-dien-1-yl)-7-methoxy-3,4-dihydro-2h-1λ⁶,4-benzothiazine-1,1,5,8-tetrone
C19H25NO5S (379.14533600000004)
11,17,18-trimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaene
C22H21NO5 (379.14196560000005)
3-{1-[3,6-dihydroxy-5-(methanesulfinylmethyl)-2,5-dihydropyrazin-2-yl]ethyl}-3-hydroxy-1-methylindol-2-one
C17H21N3O5S (379.12018560000007)
3-hydroxy-4,5-dimethoxy-6-[2-(5-oxohexyl)-1,3-thiazol-4-yl]pyridine-2-carboximidic acid
C17H21N3O5S (379.12018560000007)
5-hydroxy-4-{[(3s)-3-hydroxy-2,2-dimethyl-3,4-dihydro-1-benzopyran-6-yl]methyl}-3-(4-hydroxyphenyl)pyrrol-2-one
C22H21NO5 (379.14196560000005)
(3s,6r)-5-hydroxy-3-(hydroxymethyl)-6-(1h-indol-3-ylmethyl)-1-methyl-3,6-bis(methylsulfanyl)pyrazin-2-one
(3s)-3-[(1r)-1-[(2s,5s)-3,6-dihydroxy-5-[(r)-methanesulfinylmethyl]-2,5-dihydropyrazin-2-yl]ethyl]-3-hydroxy-1-methylindol-2-one
C17H21N3O5S (379.12018560000007)
(5r)-12'-methyl-3,4',6',10,12-pentaoxa-12'-azaspiro[tricyclo[7.3.0.0²,⁶]dodecane-5,11'-tricyclo[7.5.0.0³,⁷]tetradecane]-1(9),1',2(6),3'(7'),7,8',13'-heptaene-4,10'-dione
C20H13NO7 (379.06919880000004)
6-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-7-methoxy-3,4-dihydro-2h-1λ⁶,4-benzothiazine-1,1,5,8-tetrone
C19H25NO5S (379.14533600000004)
15,17,18-trimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaene
C22H21NO5 (379.14196560000005)
(6s,7r)-4-(methoxycarbonyl)-7-methyl-5h,6h,7h-cyclopenta[c]pyridin-6-yl (1r)-1-methyl-1,2-dihydro-2,7-naphthyridine-4-carboxylate
C21H21N3O4 (379.15319860000005)
9,17-dihydroxy-5,11,15,16,16-pentamethyl-14-oxa-4-azapentacyclo[10.6.1.0³,⁷.0⁸,¹⁹.0¹³,¹⁷]nonadeca-1(19),3(7),5,8,10,12-hexaene-2,18-dione
C22H21NO5 (379.14196560000005)
(3r)-3-[(1r)-1-[(2s,5r)-3,6-dihydroxy-5-[(r)-methanesulfinylmethyl]-2,5-dihydropyrazin-2-yl]ethyl]-3-hydroxy-1-methylindol-2-one
C17H21N3O5S (379.12018560000007)
(2r)-4-(3,4-dihydroxyphenyl)-2-[(2r)-5-hydroxy-3,4-dihydro-2h-pyrrol-2-yl]-2-(4-hydroxyphenyl)cyclopent-4-ene-1,3-dione
(3s,6s)-5-hydroxy-6-(hydroxymethyl)-3-(1h-indol-3-ylmethyl)-1-methyl-3,6-bis(methylsulfanyl)pyrazin-2-one
9-methyl-10-(phenylmethylidene)-1,9,12-triazatetracyclo[9.8.0.0²,⁷.0¹³,¹⁸]nonadeca-2,4,6,11,13,15,17-heptaene-8,19-dione
(23s)-12-methoxy-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),9,11,14,16,21-octaen-23-ol
5-hydroxy-3-(4-hydroxyphenyl)-4-{[(2r)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methyl}pyrrol-2-one
C22H21NO5 (379.14196560000005)
(2s,5r,6r,6as)-5-(6-aminopurin-9-yl)-2-[carboxy(hydroxy)methyl]-6-hydroxy-5h,6h,6ah-furo[3,2-b]furan-2-carboxylic acid
(4s,5r,6r)-6-{[(3r,4r,5r,6r)-2,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-4-yl]oxy}-4,5-dihydroxy-5,6-dihydro-4h-pyran-2-carboxylic acid
(20r)-17,18,20-trimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaene
C22H21NO5 (379.14196560000005)
1-[(1r,12s,22r)-23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.9.2.0²,¹⁰.0⁴,⁸.0¹³,²¹.0¹⁵,¹⁹]tricosa-2,4(8),9,13,15(19),20-hexaen-22-yl]propan-2-one
C22H21NO5 (379.14196560000005)
n-{2-[12-methoxy-11-(methylsulfanyl)-8,14-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,9,11,13,15-octaen-10-yl]ethyl}ethanimidic acid
C21H21N3O2S (379.13544060000004)
12-methoxy-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),9,11,14,16,21-octaen-23-ol
(3r)-3-[(1r)-1-[(2s,5r)-3,6-dihydroxy-5-[(s)-methanesulfinylmethyl]-2,5-dihydropyrazin-2-yl]ethyl]-3-hydroxy-1-methylindol-2-one
C17H21N3O5S (379.12018560000007)
(2r,5r,6r,6ar)-5-(6-aminopurin-9-yl)-2-[(s)-carboxy(hydroxy)methyl]-6-hydroxy-5h,6h,6ah-furo[3,2-b]furan-2-carboxylic acid
3-hydroxy-4,5-dimethoxy-6-[2-(4-oxohexyl)-1,3-thiazol-4-yl]pyridine-2-carboximidic acid
C17H21N3O5S (379.12018560000007)
(3s,6r)-5-hydroxy-6-(hydroxymethyl)-3-(1h-indol-3-ylmethyl)-1-methyl-3,6-bis(methylsulfanyl)pyrazin-2-one
2-{[(2s)-2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-3-{[(2e)-1-hydroxy-4-methoxy-4-oxobut-2-en-1-ylidene]amino}propanoic acid
3-hydroxy-4,5-dimethoxy-6-[2-(3-methyl-4-oxopentyl)-1,3-thiazol-4-yl]pyridine-2-carboximidic acid
C17H21N3O5S (379.12018560000007)
(1r,12s,15s)-1-hydroxy-12-(2-methylprop-1-en-1-yl)-10,13,19-triazapentacyclo[11.7.0.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]icosa-3(11),4,6,8-tetraene-2,14,20-trione
C21H21N3O4 (379.15319860000005)
(15s,17s)-9,17-dihydroxy-5,11,15,16,16-pentamethyl-14-oxa-4-azapentacyclo[10.6.1.0³,⁷.0⁸,¹⁹.0¹³,¹⁷]nonadeca-1(19),3(7),5,8,10,12-hexaene-2,18-dione
C22H21NO5 (379.14196560000005)
(3s,6s)-3-[(1s)-1-hydroxyethyl]-6-(1h-indol-3-ylmethyl)-3,6-bis(methylsulfanyl)pyrazine-2,5-diol
{17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-yl}methanol
C22H21NO5 (379.14196560000005)
1-{23-methyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.9.2.0²,¹⁰.0⁴,⁸.0¹³,²¹.0¹⁵,¹⁹]tricosa-2,4(8),9,13,15(19),20-hexaen-22-yl}propan-2-one
C22H21NO5 (379.14196560000005)
n-sulfo({10,10-dihydroxy-2,6-diimino-hexahydro-1h-pyrrolo[1,2-c]purin-4-yl}methoxy)carboximidic acid
4-(methoxycarbonyl)-7-methyl-5h,6h,7h-cyclopenta[c]pyridin-6-yl 1-methyl-1,2-dihydro-2,7-naphthyridine-4-carboxylate
C21H21N3O4 (379.15319860000005)