Exact Mass: 381.10731400000003
Exact Mass Matches: 381.10731400000003
Found 282 metabolites which its exact mass value is equals to given mass value 381.10731400000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Metsulfuron-methyl
C14H15N5O6S (381.07430100000005)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 128
Benthiavalicarb isopropyl
C18H24FN3O3S (381.15223260000005)
D016573 - Agrochemicals D010575 - Pesticides
Celecoxib
C17H14F3N3O2S (381.07587800000005)
Celecoxib (INN) is a non-steroidal anti-inflammatory drug (NSAID) 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 under the brand name Celebrex. In some countries, it is branded Celebra. Celecoxib is a non-steroidal anti-inflammatory drug (NSAID) 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. Celecoxib is a highly selective COX-2 inhibitor and primarily inhibits this isoform of cyclooxygenase, whereas traditional NSAIDs inhibit both COX-1 and COX-2. Celecoxib is approximately 10-20 times more selective for COX-2 inhibition over COX-1. In theory, this specificity allows celecoxib and other COX-2 inhibitors to reduce inflammation (and pain) while minimizing gastrointestinal adverse drug reactions (e.g. stomach ulcers) that are common with non-selective NSAIDs. It also means that it has a reduced effect on platelet aggregation compared to traditional NSAIDs; Celecoxib is a highly selective COX-2 inhibitor and primarily inhibits this isoform of cyclooxygenase, whereas traditional NSAIDs inhibit both COX-1 and COX-2. Celecoxib is approximately 10-20 times more selective for COX-2 inhibition over COX-1. In theory, this specificity allows celecoxib and other COX-2 inhibitors to reduce inflammation (and pain) while minimizing gastrointestinal adverse drug reactions (e.g. stomach ulcers) that are common with non-selective NSAIDs. It also means that it has a reduced effect on platelet aggregation compared to traditional NSAIDs. Celecoxib (INN) is a non-steroidal anti-inflammatory drug (NSAID) 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 under the brand name Celebrex. In some countries, it is branded Celebra.; Celecoxib is a non-steroidal anti-inflammatory drug (NSAID) 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. CONFIDENCE standard compound; INTERNAL_ID 454; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4913; ORIGINAL_PRECURSOR_SCAN_NO 4912 CONFIDENCE standard compound; INTERNAL_ID 454; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4904; ORIGINAL_PRECURSOR_SCAN_NO 4902 INTERNAL_ID 454; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4913; ORIGINAL_PRECURSOR_SCAN_NO 4912 CONFIDENCE standard compound; INTERNAL_ID 454; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4877; ORIGINAL_PRECURSOR_SCAN_NO 4875 CONFIDENCE standard compound; INTERNAL_ID 454; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4898; ORIGINAL_PRECURSOR_SCAN_NO 4896 CONFIDENCE standard compound; INTERNAL_ID 454; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4899; ORIGINAL_PRECURSOR_SCAN_NO 4897 M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AH - Coxibs D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D004791 - Enzyme Inhibitors > D016861 - Cyclooxygenase Inhibitors > D052246 - Cyclooxygenase 2 Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C80509 - COX-2 Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor CONFIDENCE standard compound; INTERNAL_ID 8516 CONFIDENCE standard compound; INTERNAL_ID 2356 D000893 - Anti-Inflammatory Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
4-Hydroxy-6-methylpretetramide
A member of the class of pretetramides that is 6-methyltetracene-2-carboxamide carrying six hydroxy substituents at positions 1, 3, 4, 10, 11 and 12.
2-Amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one
8-desmethylnovobiocic acid
C21H19NO6 (381.12123140000006)
A hydroxycoumarin that is novobiocic acid lacking the 8-methyl group.
Rabeprazole sodium
C18H20N3NaO3S (381.1123010000001)
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors
Oxopurpureine
C21H19NO6 (381.12123140000006)
Oxopurpureine is found in beverages. Oxopurpureine is an alkaloid from the stems and leaves of Annona purpurea (soncoya). Alkaloid from the stems and leaves of Annona purpurea (soncoya). Oxopurpureine is found in beverages and fruits.
N-Acetyl-9-O-lactoylneuraminic acid
N-Acetyl-9-O-lactoylneuraminic acid is a sialic acid produced by sialate 9-O-lactoyltransferases. Lactoylation of CMP-N-acetylneuraminic acid, N-acetylneuramimic acid and glycoconjugate-bound N-acetylneuramimic acid has been observed, with the glycoconjugate form being the best substrate. A sialic acid produced by sialate 9-O-lactoyltransferases. Lactoylation of CMP-N-acetylneuraminic acid, N-acetylneuramimic acid and glycoconjugate-bound N-acetylneuramimic acid has been observed, with the glycoconjugate form being the best substrate. [HMDB]
Seminaphtharhodafluor
C24H15NO4 (381.10010300000005)
Amoxicilloyl
C17H23N3O5S (381.13583480000005)
4-(2,6-Dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide
C16H17Cl2N5O2 (381.07592420000003)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C2185 - Cyclin-Dependent Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Pyridine, 4-(5-((1R)-1-(5-(3-chlorophenyl)-3-isoxazolyl)ethoxy)-4-methyl-4H-1,2,4-triazol-3-yl)-
Fendosal
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Lavendustin A
C21H19NO6 (381.12123140000006)
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D004791 - Enzyme Inhibitors
Netoglitazone
C21H16FNO3S (381.08348780000006)
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent Netoglitazone is a dual agonist of PPARα and PPARγ with antihyperglycemic activity[1].
(5Z)-5-[[4-[(1-Pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
C20H19N3O3S (381.11470640000005)
Pleconaril
C18H18F3N3O3 (381.13001940000004)
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent
5-[[6-[(2-Fluorophenyl)methoxy]naphthalen-2-yl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
C21H16FNO3S (381.08348780000006)
2-Methylthio-N6-(delta2-isopentenyl)adenosine
C16H23N5O4S (381.14706780000006)
2-methylthio-n6-(delta2-isopentenyl)adenosine, also known as n(6)-(delta(2)-isopentenyl)-2-methylthioadenosine or 2-mtia, is a member of the class of compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. 2-methylthio-n6-(delta2-isopentenyl)adenosine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-methylthio-n6-(delta2-isopentenyl)adenosine can be found in cauliflower, which makes 2-methylthio-n6-(delta2-isopentenyl)adenosine a potential biomarker for the consumption of this food product. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins
Arnottianamide
C21H19NO6 (381.12123140000006)
Glutamyl-S-(C3H7S)-cysteinylglycine
C13H23N3O6S2 (381.10282179999996)
Annotation level-3
Lavendustin A
C21H19NO6 (381.12123140000006)
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D004791 - Enzyme Inhibitors
10-O-demethyl-12-O-methylarnottianamide
C21H19NO6 (381.12123140000006)
(+/-)-pictonamine|13-deoxy-chilenine methyl enol ether|9,10,13-trimethoxy-5,6-dihydro-[1,3]dioxolo[4,5:4,5]benzo[1,2:4,5]azepino[2,1-a]isoindol-8-one|Pictonamine
C21H19NO6 (381.12123140000006)
13-methoxy-8-oxyberberine|13-methoxy-oxoberberine|13-Methoxyberberin|13-methoxyberberine|13-Methoxyoxoberberine|9,10,13-trimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-8-one
C21H19NO6 (381.12123140000006)
(+)-(6R,8S)-1-thiomethyldiscorhabdin G*/I trifluoroacetate
2-Methylthio-N6-isopentenyladenosine
C16H23N5O4S (381.14706780000006)
benthiavalicarb-isopropyl
C18H24FN3O3S (381.15223260000005)
D016573 - Agrochemicals D010575 - Pesticides CONFIDENCE standard compound; EAWAG_UCHEM_ID 3055
celecoxib
C17H14F3N3O2S (381.07587800000005)
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AH - Coxibs D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D004791 - Enzyme Inhibitors > D016861 - Cyclooxygenase Inhibitors > D052246 - Cyclooxygenase 2 Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C80509 - COX-2 Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Production by Hericium ramosum. Antibiotic CJ 14258 is found in mushrooms.
4-Hydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-chromen-2-one
C21H19NO6 (381.12123140000006)
OXOPURPUREINE
C21H19NO6 (381.12123140000006)
[2-(benzylcarbamoyl)-4-(2,4-difluorophenyl)phenyl] acetate
C22H17F2NO3 (381.11764360000006)
tert-butyl 6-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate
C15H18F3NO5S (381.08577340000005)
Pyrimido[2,1-f]purine-7-carboxaldehyde,1,2,3,4,8,9-hexahydro-6-hydroxy-1,3-dimethyl-2,4,8-trioxo-9-(phenylmethyl)-
C18H15N5O5 (381.10731400000003)
N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-3-(4-TRIFLUOROMETHYLPHENYL)PROPIONAMIDE
C20H22F3NO3 (381.15516980000007)
Urea, N-(4-chlorophenyl)-N-cyclopropyl-N-[(1,2-dihydro-6-methyl-2-oxo-3-quinolinyl)methyl]- (9CI)
C21H20ClN3O2 (381.12439700000004)
3-[[2-(acetyloxy)ethyl][4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile
Acodazole hydrochloride
C20H20ClN5O (381.13563000000005)
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
N-De(4-sulfonamidophenyl)-N-(4-sulfonamidophenyl) Celecoxib
C17H14F3N3O2S (381.07587800000005)
4-Aminobenzo-18-crown-6 sesquihydrate hydrochloride
(3-bromo-4-hydroxy-3-nitropentan-2-yl) decanoate
C15H28BrNO5 (381.11507380000006)
Ethyl N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamate
C20H22F3NO3 (381.15516980000007)
2-Methyl-2-propanyl 3-iodo-4,4-dimethyl-1-oxa-7-azaspiro[4.4]nona ne-7-carboxylate
Methanone, [4-(2-chlorophenyl)-1-piperazinyl](5-methyl-3-phenyl-4-isoxazolyl)-
C21H20ClN3O2 (381.12439700000004)
Tert-Butyl 3-(Iodomethyl)-2-Oxa-8-Azaspiro[4.5]Decane-8-Carboxylate
[4-(2,4-difluorophenyl)-2-(ethylcarbamoyl)phenyl] benzoate
C22H17F2NO3 (381.11764360000006)
[4-(2,4-difluorophenyl)-2-(dimethylcarbamoyl)phenyl] benzoate
C22H17F2NO3 (381.11764360000006)
(S)-1,2,3,4-tetrahydro-6,7-dihydroxy-1-(3,4,5-trimethoxybenzyl)isoquinolinium chloride
C19H24ClNO5 (381.13429240000005)
6-isoquinolin-5-yl-N-(1,3-thiazol-2-yl)naphthalene-1-carboxamide
C23H15N3OS (381.09357800000004)
Mebutizide
C - Cardiovascular system > C03 - Diuretics > C03A - Low-ceiling diuretics, thiazides > C03AA - Thiazides, plain C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49185 - Thiazide Diuretic
Methyl4-(4-fluorophenyl)-6-isopropyl-2-[(n-methyl-n-methylsulfonyl)amino]pyriminl-5-yl-carboxylate
C17H20FN3O4S (381.11584920000007)
(6R,7R)-7-[[(E)-(furan-2-yl)(methoxyimino)acetyl]amino]-3-(hydroxymethyl)-8- oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C15H15N3O7S (381.06306800000004)
4-Nitrophenyl4,6-cyclohexylidene-b-D-mannopyranoside
ethyl 8-cyano-7-Methoxy-2-(p-tolylthioMethyl)iMidazo[1,2-a]pyridine-3-carboxylate
C20H19N3O3S (381.11470640000005)
[1,1:3,1-Terphenyl]-4,4-dicarbonitrile, 5-(4-cyanophenyl)-
1-(3-(2-methoxy-5-nitrophenoxy)propyl)-4-methylpiperazine Dihydrochloride
C15H25Cl2N3O4 (381.12220300000007)
4-(4-BENZYLPIPERAZINO)-1H-INDOLE DIHYDROCHLORIDE MONOHYDRATE
C19H25Cl2N3O (381.13745800000004)
4-(4-Boc-1-piperazinyl)-5-bromo-7H-pyrrolo[2,3-d]pyrimidine
Pyridine, 4-(5-((1R)-1-(5-(3-chlorophenyl)-3-isoxazolyl)ethoxy)-4-methyl-4H-1,2,4-triazol-3-yl)-
AZD 2066 is a selective, orally active and brain-penetrant antagonist of mGluR5. AZD 2066 has antinociception effects[1].
1-(3-Chloro-4-Methylphenyl)-3-{2-[({5-[(Dimethylamino)methyl]-2-Furyl}methyl)thio]ethyl}urea
C18H24ClN3O2S (381.12776740000004)
2-amino-5-formylamino-6-(5-phosphoribosylamino)pyrimidin-4(3H)-one
2-(((1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl)amino)ethanesulfonic acid
1-(1-(Methylsulfonyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
C14H18F3N3O4S (381.09700640000005)
2-(2-furoylamino)-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
C20H19N3O3S (381.11470640000005)
N-[2-(1-azepanyl)phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide
N-[4-[[(2-chlorophenyl)-oxomethyl]amino]-3-methoxyphenyl]-2-pyridinecarboxamide
C20H16ClN3O3 (381.08801360000007)
(8E)-2-amino-6-ethyl-4-(thiophen-2-yl)-8-(thiophen-2-ylmethylidene)-5,6,7,8-tetrahydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
C20H19N3OS2 (381.09694840000003)
N-((2-Aminopyrimidin-5-Yl)methyl)-5-(2,6-Difluorophenyl)-3-Ethylpyrazolo[1,5-A]pyrimidin-7-Amine
[[(3r,4r,5s,6r)-3-(Butanoylamino)-4,5-Dihydroxy-6-(Hydroxymethyl)oxan-2-Ylidene]amino] N-Phenylcarbamate
Pleconaril
C18H18F3N3O3 (381.13001940000004)
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent
cefadroxil monohydrate
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins 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
netoglitazone
C21H16FNO3S (381.08348780000006)
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent Netoglitazone is a dual agonist of PPARα and PPARγ with antihyperglycemic activity[1].
Fendosal
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
7-Benzyl-6-methyl-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione
[4,5-dihydroxy-10-oxo-3-(3-oxopentanoyl)-9H-anthracen-2-yl]acetate
(4S)-2-acetyl-3,4,8,10,11,12-hexahydroxy-1,4-dihydrotetracen-1-one
[4,5-Dihydroxy-9,10-dioxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetate
[(1S)-2-[2-[(2R)-2-amino-2-carboxyethyl]seleninyl-1H-imidazol-5-yl]-1-carboxyethyl]-trimethylazanium
(5Z)-5-[[4-[(1-Pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
C20H19N3O3S (381.11470640000005)
2-[1-[[2-Amino-2-(4-hydroxyphenyl)acetyl]amino]-2-oxopropyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
C17H23N3O5S (381.13583480000005)
N-[(3-benzamidoanilino)-sulfanylidenemethyl]-2-thiophenecarboxamide
1-(3,4-Dihydroxyphenyl)-2-[[5-(4-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone
C20H19N3O3S (381.11470640000005)
3-(2-Furanylmethyl)-8-(4-methoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
C20H19N3O3S (381.11470640000005)
1-(4-Fluorophenyl)-3-[2-methyl-5-(1-piperidinylsulfonyl)-3-furanyl]urea
C17H20FN3O4S (381.11584920000007)
5-[(4-fluorophenyl)methylsulfonylmethyl]-N-(2-oxolanylmethyl)-2-furancarboxamide
C18H20FNO5S (381.10461620000007)
N-[(4-fluorophenyl)methyl]-2-[4-[(4-fluorophenyl)-oxomethyl]phenoxy]acetamide
C22H17F2NO3 (381.11764360000006)
1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
C19H18F3NO4 (381.11878640000003)
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-dibenzofuransulfonamide
C20H15NO5S (381.06709000000006)
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(phenylmethyl)amino]acetamide
C17H20ClN3O3S (381.09138400000006)
N-(3-chloro-2-methylphenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
C17H20ClN3O3S (381.09138400000006)
2-(2-chloro-4-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
C17H20ClN3O3S (381.09138400000006)
1-(3,4-Dihydroxyphenyl)-2-[[5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone
C20H19N3O3S (381.11470640000005)
2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-N-(3-ethoxyphenyl)acetamide
2-[(2-nitro-3-pyridinyl)oxy]-N-[2-(phenylthio)phenyl]acetamide
C19H15N3O4S (381.07832300000007)
3-chloro-6-ethyl-N-(1H-indol-3-ylmethylene)-1-benzothiophene-2-carbohydrazide
C20H16ClN3OS (381.07025560000005)
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
C20H19N3O5 (381.13246440000006)
2-methyl-N-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]benzohydrazide
2-[[5-(4-Fluorophenyl)-1-methyl-2-imidazolyl]thio]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
C21H20FN3OS (381.13110420000004)
2-[2-[[2-[(5-Cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-thiazolyl]acetic acid ethyl ester
C15H19N5O3S2 (381.09292639999995)
(2E)-N-{2-[(2E)-2-(1,3-benzodioxol-5-ylmethylene)hydrazino]-2-oxoethyl}-3-(2-methoxyphenyl)acrylamide
C20H19N3O5 (381.13246440000006)
(15R)-13-(2,5-Difluorophenyl)-10,10-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
N-(4-acetylphenyl)-2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]butanamide
C20H19N3O3S (381.11470640000005)
(15R)-13-(2,4-Difluorophenyl)-10,10-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
4-(1-Hydroxy-5,6-dimethoxy-9,10-dioxoanthracen-2-yl)-3-methylbut-3-enamide
C21H19NO6 (381.12123140000006)
1-[[4-(4-Methoxyphenyl)-3-prop-2-enyl-2-thiazol-3-iumyl]amino]-3-phenylurea
(3aR,4R,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-N-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
(3aR,4S,9bS)-8-bromo-4-(hydroxymethyl)-5-methyl-N-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
(3aS,4S,9bR)-8-bromo-4-(hydroxymethyl)-5-methyl-N-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
(3aS,4R,9bR)-8-bromo-4-(hydroxymethyl)-5-methyl-N-propan-2-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
N-{5-bromo-1-[2-(morpholin-4-yl)ethyl]-2-oxo-2,3-dihydro-1H-indol-3-yl}acetamide
N-methyl-N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-L-alpha-aspartyl-beta-alanine
N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-carboxamide
3-oxo-N-(4-phenylphenyl)-2,4-dihydro-1H-pyrido[1,2-a]benzimidazole-4-carboxamide
(2E)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-hydroxybenzylidene)hydrazinecarbothioamide
4-hydroxy-3-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2H-chromen-2-one
C21H19NO6 (381.12123140000006)
Methyl 2-[(4,6-diphenylpyrimidin-2-yl)amino]benzoate
1,3,4,10,11,12-Hexahydroxy-6-methyltetracene-2-carboxamide
AT7519
C16H17Cl2N5O2 (381.07592420000003)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C2185 - Cyclin-Dependent Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-Methylthio-N-6-isopentenyladenosine
C16H23N5O4S (381.14706780000006)
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins
kinanthraquinone
C21H19NO6 (381.12123140000006)
A monohydroxyanthraquinone that is anthraquinone in which the hydrogen atoms at positions 1, 2, 5 and 6 are replaced hydroxy, 3-methylbut-3-enamidyl, methoxy and methoxy groups, respectively. It is a natural product isolated from Streptomyces sp. SN-593, and shows moderate cytotoxicity against HL-60 and NRK cells.
Ceranib-2
Ceranib-2 is a potent and nonlipid ceramidase inhibitor that inhibits cellular ceramidase activity with an IC50 of 28 μM in SKOV3 cells. Ceranib-2 induces the accumulation of multiple ceramide species, decreases levels of sphingosine and sphingosine-1-phosphate (S1P), and induces cell apoptosis. Anticancer activity[1][2].
ND-011992
ND-011992 is a reversible, selective quinazoline-type inhibitor targeting quinone reductases and quinol oxidases. ND-011992 inhibits respiratory complex I and bo3 oxidase in addition to bd-I and bd-II oxidases in E. coli strain BL21*Δcyo with the IC50 of 0.12, 2.47, 0.63 and 1.3 μM, respectively. ND-011992 can be used for tuberculosis study[1].
PCSK9-IN-11
C16H17ClFN5O3 (381.10038940000004)
PCSK9-IN-11 (compound 5r) is a potent and orally active PCSK9 inhibitor. PCSK9-IN-11 exhibits PCSK9 transcriptional inhibitory activity in HepG2 cells, with an IC50 of 5.7 μM. PCSK9-IN-11 increases LDL receptor (LDLR) protein level. PCSK9-IN-11 can be used for atherosclerosis research[1].
PI3K/Akt/CREB activator 1
C19H15F4NO3 (381.09880080000005)
PI3K/Akt/CREB activator 1 (compound AE-18) is a potent, orally active PI3K/Akt/CREB activator. PI3K/Akt/CREB activator 1 promotes neuronal proliferation, induced differentiation of Neuro-2a cells into a neuron-like morphology, and accelerated the establishment of axon-dendrite polarization of primary hippocampal neurons through upregulating brain-derived neurotrophic factor via the PI3K/Akt/CREB pathway. PI3K/Akt/CREB activator 1 can be used in research of vascular dementia (VaD)[1].
2,7,8-trimethoxy-17,19-dioxa-11-azapentacyclo[12.7.0.0³,¹¹.0⁴,⁹.0¹⁶,²⁰]henicosa-1(21),2,4,6,8,14,16(20)-heptaen-10-one
C21H19NO6 (381.12123140000006)
5-(6,7-dimethoxyisoquinoline-1-carbonyl)-2h-1,3-benzodioxole-4-carboxylic acid
6-methyl-7,8-dihydro-2h-3',5',12'-trioxaspiro[[1,3]dioxolo[4,5-g]isoquinoline-5,11'-tricyclo[7.4.0.0²,⁶]tridecane]-1'(9'),2'(6'),7'-triene-10',13'-dione
(8's)-8'-chloro-2',3',4-trimethoxy-10'-methyl-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione
C19H24ClNO5 (381.13429240000005)
6-oxocorynoline
C21H19NO6 (381.12123140000006)
{"Ingredient_id": "HBIN012735","Ingredient_name": "6-oxocorynoline","Alias": "NA","Ingredient_formula": "C21H19NO6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16292","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acutuminine
C19H24ClNO5 (381.13429240000005)
{"Ingredient_id": "HBIN014666","Ingredient_name": "acutuminine","Alias": "NA","Ingredient_formula": "C19H24ClNO5","Ingredient_Smile": "CN1CCC23C1(CC(C24CC(=CC4=O)OC)Cl)C(=C(C(=O)C3)OC)OC","Ingredient_weight": "381.85","OB_score": "39.28800714","CAS_id": "23512-32-5","SymMap_id": "SMIT13631","TCMID_id": "604","TCMSP_id": "MOL012909","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
Ansam acrolid
C15H21N6O4S+ (381.13449260000004)
{"Ingredient_id": "HBIN016263","Ingredient_name": "Ansam acrolid","Alias": "NA","Ingredient_formula": "C15H21N6O4S+","Ingredient_Smile": "C[S+](CCC(C(=O)O)N)CC1=CC(C(O1)N2C=NC3=C2N=CN=C3N)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40001","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,9(17),12,14-heptaene-8,11-dione
C21H19NO6 (381.12123140000006)
(10z)-10-({6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}methylidene)-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one
C21H19NO6 (381.12123140000006)
(10s)-10-benzyl-9-methyl-1,9,12-triazatetracyclo[9.8.0.0²,⁷.0¹³,¹⁸]nonadeca-2,4,6,11,13,15,17-heptaene-8,19-dione
[(4e,5e)-5-{[(2-hydroxyethyl)-c-hydroxycarbonimidoyl](phenyl)methylidene}-1,3-dioxolan-4-ylidene](phenyl)acetic acid
C21H19NO6 (381.12123140000006)
18,19-dimethoxy-6,8-dioxa-14-azapentacyclo[12.8.0.0³,¹¹.0⁵,⁹.0¹⁷,²²]docosa-3,5(9),10,17,19,21-hexaene-2,15-dione
C21H19NO6 (381.12123140000006)
(1r,12s,13r)-12-hydroxy-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-23-one
C21H19NO6 (381.12123140000006)
4,5,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-11,12-dione
C21H19NO6 (381.12123140000006)
12-hydroxy-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-23-one
C21H19NO6 (381.12123140000006)
2-({2-[(2-amino-1-hydroxypropylidene)amino]-3-carboxy-1-hydroxypropylidene}amino)-5-phosphonopent-3-enoic acid
C12H20N3O9P (381.09371200000004)
8'-chloro-2',3',4-trimethoxy-10'-methyl-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione
C19H24ClNO5 (381.13429240000005)
(2s)-1-(3-{3-carboxy-9h-pyrido[3,4-b]indol-1-yl}propanoyl)pyrrolidine-2-carboxylic acid
C20H19N3O5 (381.13246440000006)
(1r,12r,13s)-12-hydroxy-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-23-one
C21H19NO6 (381.12123140000006)
n-[6-(4-hydroxy-2,3-dimethoxyphenyl)-2h-naphtho[2,3-d][1,3]dioxol-5-yl]-n-methylformamide
C21H19NO6 (381.12123140000006)
n-[6-(4-hydroxy-2,5-dimethoxyphenyl)-2h-naphtho[2,3-d][1,3]dioxol-5-yl]-n-methylformamide
C21H19NO6 (381.12123140000006)
10-benzyl-9-methyl-1,9,12-triazatetracyclo[9.8.0.0²,⁷.0¹³,¹⁸]nonadeca-2,4,6,11,13,15,17-heptaene-8,19-dione
n-[6-(2-hydroxy-3,4-dimethoxyphenyl)-2h-naphtho[2,3-d][1,3]dioxol-5-yl]-n-methylformamide
C21H19NO6 (381.12123140000006)
3-hydroxy-6-[2-(3-hydroxy-3-methylpentyl)-1,3-thiazol-4-yl]-4,5-dimethoxypyridine-2-carboximidic acid
C17H23N3O5S (381.13583480000005)
1-(3-{3-carboxy-9h-pyrido[3,4-b]indol-1-yl}propanoyl)pyrrolidine-2-carboxylic acid
C20H19N3O5 (381.13246440000006)
(5-{[(2-hydroxyethyl)-c-hydroxycarbonimidoyl](phenyl)methylidene}-1,3-dioxolan-4-ylidene)(phenyl)acetic acid
C21H19NO6 (381.12123140000006)
10-({6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}methylidene)-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one
C21H19NO6 (381.12123140000006)
3-hydroxy-6-[2-(4-hydroxy-3-methylpentyl)-1,3-thiazol-4-yl]-4,5-dimethoxypyridine-2-carboximidic acid
C17H23N3O5S (381.13583480000005)
(10r)-10-benzyl-9-methyl-1,9,12-triazatetracyclo[9.8.0.0²,⁷.0¹³,¹⁸]nonadeca-2,4,6,11,13,15,17-heptaene-8,19-dione
3-hydroxy-6-[2-(4-hydroxy-4-methylpentyl)-1,3-thiazol-4-yl]-4,5-dimethoxypyridine-2-carboximidic acid
C17H23N3O5S (381.13583480000005)
(1r)-18,19-dimethoxy-6,8-dioxa-14-azapentacyclo[12.8.0.0³,¹¹.0⁵,⁹.0¹⁷,²²]docosa-3,5(9),10,17,19,21-hexaene-2,15-dione
C21H19NO6 (381.12123140000006)
[(4e)-5-{[(2-hydroxyethyl)-c-hydroxycarbonimidoyl](phenyl)methylidene}-1,3-dioxolan-4-ylidene](phenyl)acetic acid
C21H19NO6 (381.12123140000006)
3-hydroxy-6-[2-(5-hydroxy-4-methylpentyl)-1,3-thiazol-4-yl]-4,5-dimethoxypyridine-2-carboximidic acid
C17H23N3O5S (381.13583480000005)
(2r,3e)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-carboxy-1-hydroxypropylidene]amino}-5-phosphonopent-3-enoic acid
C12H20N3O9P (381.09371200000004)
4,5,14,15,16-pentamethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one
C21H19NO6 (381.12123140000006)
4-(1-hydroxy-5,6-dimethoxy-9,10-dioxoanthracen-2-yl)-3-methylbut-3-enimidic acid
C21H19NO6 (381.12123140000006)
16-methoxy-14-oxo-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15(20),16,18-hexaen-17-yl acetate
C21H19NO6 (381.12123140000006)
(15s,17s)-9,17-dihydroxy-5,11,15,16,16-pentamethyl-6,14-dioxa-4-azapentacyclo[10.6.1.0³,⁷.0⁸,¹⁹.0¹³,¹⁷]nonadeca-1(19),3(7),4,8,10,12-hexaene-2,18-dione
C21H19NO6 (381.12123140000006)
n-[6-(2-hydroxy-4,5-dimethoxyphenyl)-2h-naphtho[2,3-d][1,3]dioxol-5-yl]-n-methylformamide
C21H19NO6 (381.12123140000006)
9,17-dihydroxy-5,11,15,16,16-pentamethyl-6,14-dioxa-4-azapentacyclo[10.6.1.0³,⁷.0⁸,¹⁹.0¹³,¹⁷]nonadeca-1(19),3(7),4,8,10,12-hexaene-2,18-dione
C21H19NO6 (381.12123140000006)
(10e)-10-({6-[2-(dimethylamino)ethyl]-2h-1,3-benzodioxol-5-yl}methylidene)-3,5,11-trioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-12-one
C21H19NO6 (381.12123140000006)