Exact Mass: 401.061628
Exact Mass Matches: 401.061628
Found 108 metabolites which its exact mass value is equals to given mass value 401.061628,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Oxacillin
C19H19N3O5S (401.10453640000003)
Oxacillin is only found in individuals that have used or taken this drug. It is an antibiotic similar to flucloxacillin used in resistant staphylococci infections. [PubChem]By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, Oxacillin inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that Oxacillin interferes with an autolysin inhibitor. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CF - Beta-lactamase resistant penicillins 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 C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 3207
5-Methyldeoxycytidine diphosphate
C10H17N3O10P2 (401.03891619999996)
S-(1,2-Dichlorovinyl)glutathione
C12H17Cl2N3O6S (401.0215082000001)
This compound belongs to the family of Peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
Fenoldopam mesylate
C17H20ClNO6S (401.0699810000001)
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Fenoldopam mesylate (SKF-82526) is a D1 receptor agonist and a novel lysine-specific demethylase 1 (LSD1) inhibitor (IC50=0.8974 μM). Fenoldopam mesylate shows anti-hypertensive effects, anti-cancer cell proliferation activity and can induce cells apoptosis[1][2][3].
5-Hexenyl glucosinolate
Present in horseradish (Armoracia lapathifolia) and Japanese horseradish (Wasabia japonica). 5-Hexenyl glucosinolate is found in many foods, some of which are horseradish, wasabi, brassicas, and radish. 5-Hexenyl glucosinolate is found in brassicas. 5-Hexenyl glucosinolate is present in horseradish (Armoracia lapathifolia) and Japanese horseradish (Wasabia japonica).
4-(5-(4-Chlorophenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
C16H11ClF3N3O2S (401.02125720000004)
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
S-(1,2-Dichlorovinyl)-glutathione
C12H17Cl2N3O6S (401.0215082000001)
Dda-tetracycline
C20H19NO8 (401.11106140000004)
Flavopiridol
C21H20ClNO5 (401.1029940000001)
3-(4-Benzylpiperazino)-2-[(4-chlorophenyl)sulfonyl]acrylonitrile
C20H20ClN3O2S (401.09646900000007)
7-butyl-3,4,9-trihydroxy-8-methoxy-5,10-dioxo-5,10-dihydro-benzo[g]quinoline-2-carboxylic acid methyl ester
C20H19NO8 (401.11106140000004)
bemetizide
C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49185 - Thiazide Diuretic
5-Hexenyl glucosinolate
1-Naphthalenesulfonicacid, 4-[2-(4-hydroxy-1-naphthalenyl)diazenyl]-, sodium salt (1:1)
C20H14N2NaO4S+ (401.05719440000007)
4-(3-BROMO-PHENYL)-2-(4-TERT-BUTYL-PHENOXYMETHYL)-THIAZOLE
C20H20BrNOS (401.04488900000007)
penflutizide
C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49185 - Thiazide Diuretic
TERT-BUTYL 5-(BENZYLOXY)-3-BROMO-1H-INDOLE-1-CARBOXYLATE
C20H20BrNO3 (401.0626470000001)
TERT-BUTYL 7-(BENZYLOXY)-3-BROMO-1H-INDOLE-1-CARBOXYLATE
C20H20BrNO3 (401.0626470000001)
Benzenepropanoic acid, α-[[(6-amino-3,5-difluoro-2-pyridinyl)amino]methylene]-2,4,5-trifluoro-β-oxo-, ethyl ester
C17H12F5N3O3 (401.07987820000005)
1-(TERT-BUTYL) 6-METHYL 3-IODO-1H-INDOLE-1,6-DICARBOXYLATE
chloro-tris(2,3,4,5,6-pentadeuteriophenyl)stannane
Adenosine 3′,5′-cyclic monophosphate acetoxymethyl ester
[4-(4-Amino-6-bromo-2-quinazolinyl)-1-piperazinyl]-2-furanylmethanone
trimethyl(2-naphthalen-2-yloxycarbonyloxyethyl)azanium,iodide
C16H20INO3 (401.04878800000006)
clinafloxacin hydrochloride
C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
Alvocidib
C21H20ClNO5 (401.1029940000001)
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C2185 - Cyclin-Dependent Kinase Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D006133 - Growth Substances > D006131 - Growth Inhibitors D000970 - Antineoplastic Agents
Asenapine Maleate
C21H20ClNO5 (401.1029940000001)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Asenapine maleate is a 5-HT (1A, 1B, 2A, 2B, 2C, 5A, 6, 7) and D2 antagonist with Ki values of 0.03-4.0 nM, 1.3nM, respectively, and an antipsychotic.
2-nitrooxyethyl 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetate
C19H15NO9 (401.07467800000006)
(3S)-(7-Bromo-2-oxo-5-pyridin-2-yl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-propionic acid Methyl ester
C18H16BrN3O3 (401.03749660000005)
Triflumidate
C17H14F3NO5S (401.0544750000001)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
4-[(3-chlorophenyl)azo]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
ethyl 2-piperazin-1-yl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxylate
C17H18F3N3O3S (401.10209140000006)
disodium,3-[[4-(2-carboxylatoethylcarbamoyl)phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate
5-chloro-2-methyl-2,3,3a,12b-tetrahydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrole maleate
C21H20ClNO5 (401.1029940000001)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants
Sofinicline benzenesulfonate
C16H17Cl2N3O3S (401.0367632000001)
C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist > C73579 - Nicotinic Agonist
2-Naphthacenecarboxamide, 1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-
C20H19NO8 (401.11106140000004)
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D061965 - Matrix Metalloproteinase Inhibitors
[(2S)-3-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]-(phenylmethyl)phosphinic acid
C18H22Cl2NO3P (401.07142920000007)
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists
8-(1,3-Benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-2,6-dione
C18H19N5O2S2 (401.09801139999996)
4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
C18H16BrN3O3 (401.03749660000005)
2-[2-Amino-5-(2-bromophenoxy)pyrimidin-4-yl]-5-ethoxyphenol
C18H16BrN3O3 (401.03749660000005)
1,1-Bis(4-chlorophenyl)-2-[(3-methoxyphenyl)methylamino]ethanol
7-ethoxy-3-[5-(2-furanyl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]-1H-quinolin-2-one
C19H19N3O5S (401.10453640000003)
5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)ethyl)thiophene-2-carboxamide
C19H16ClN3O3S (401.0600856000001)
N-Methyl-{4-[2-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-E]indol-8-ylidene)hydrazino]phenyl}methanesulfonamide
2-{1-[2-(2-Amino-thiazol-4-YL)-2-methoxyimino-acetylamino]-2-oxo-ethyl}-5,5-dimethyl-thiazolidine-4-carboxylic acid
Cephalexin hydrochloride
C16H20ClN3O5S (401.08121400000005)
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
3,3-Dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
C19H19N3O5S (401.10453640000003)
grixazone A
C18H15N3O6S (401.06815300000005)
A cysteine derivative that is the S-(2-amino-8-formyl-3-oxo-3H-phenoxazin-1-yl) derivative of N-acetyl-L-cysteine.
3,5-Dioxo-6-[4,5,7-trihydroxy-3-(3-oxobutanoyl)naphthalen-2-yl]hexanoate
C20H17O9- (401.08725319999996)
2-amino-5-[[1-(carboxymethylamino)-3-[(Z)-1,2-dichloroethenyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
C12H17Cl2N3O6S (401.0215082000001)
4-[4-[(2-Oxo-1,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]benzoic acid
C19H19N3O5S (401.10453640000003)
4-oxo-5-phenyl-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl 4-chlorobenzoate
N-(3-methyl-4-nitro-1,2-oxazol-5-yl)-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
C14H10F3N5O4S (401.04055760000006)
(5Z)-1-(4-bromophenyl)-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
C18H16BrN3O3 (401.03749660000005)
7-[[[5-(2,4-Dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-5-thiazolo[3,2-a]pyrimidinone
2-[[5-(3-Chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydroxyphenyl)ethanone
C19H16ClN3O3S (401.0600856000001)
(3S)-versiconol acetate(1-)
C20H17O9- (401.08725319999996)
An optically active form of versiconol acetate(1-) having 3S-configuration.
N-(1,3-benzothiazol-2-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[3-(diethylsulfamoyl)phenyl]acetamide
2-[(7-methyl-4-oxo-3-phenyl-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-2-yl)thio]acetic acid methyl ester
N-(5-bromo-2-oxo-3-indolyl)-2-(2,6-dimethylphenoxy)acetohydrazide
C18H16BrN3O3 (401.03749660000005)
N-{[(4-ethoxy-2-nitrophenyl)amino]carbonothioyl}-3-(4-methoxyphenyl)acrylamide
C19H19N3O5S (401.10453640000003)
2-(4-methoxyphenyl)-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]acetamide
C19H19N3O5S (401.10453640000003)
3-chloro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester
C19H12ClNO5S (401.01246920000006)
2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-nitrophenyl)acetamide
hamayne Trifluoroacetic acid
A natural product found in Crinum asiaticum var. sinicum.
4-Pyridinecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
C22H15N3O3S (401.0834080000001)
1-[(3aR,4R,9bR)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-pyridin-4-ylethanone
C19H20BrN3O2 (401.07388000000003)
1-[(3aS,4S,9bS)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-pyridin-4-ylethanone
C19H20BrN3O2 (401.07388000000003)
Versiconol acetate(1-)
C20H17O9- (401.08725319999996)
An organic anion that is the conjugate base of versiconol acetate, obtained by selective deprotonation of the 2-hydroxy group.
2-[(5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid
C19H15NO5S2 (401.03916200000003)
(2Z)-2-[(2-chloro-1-phenylquinolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole
[5-[2-amino-5-(formamidomethyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxy-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] prop-2-enoate
oxacillin
C19H19N3O5S (401.10453640000003)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CF - Beta-lactamase resistant penicillins A penicillin antibiotic carrying a 5-methyl-3-phenylisoxazole-4-carboxamide group at position 6. 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 C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
5-Methyldeoxycytidine 5-(trihydrogen diphosphate)
C10H17N3O10P2 (401.03891619999996)
ABT-724 (trihydrochloride)
C17H22Cl3N5 (401.09407020000003)
ABT-724 trihydrochloride is a potent and highly selective dopamine D4 receptor agonist with an EC50 of 12.4 nM for human dopamine D4 receptor. ABT-724 trihydrochloride is a potent partial agonist at the rat D4 (EC50 of 14.3 nM) and the ferret D4 receptor (EC50 of 23.2 nM), and has no effect on dopamine D1, D2, D3, or D5 receptors. ABT-724 trihydrochloride could be useful for the treatment of erectile dysfunction and has favorable side-effect profile[1].
Copper tripeptide
Copper tripeptide (GHK-Cu) is a tripeptide. During wound healing, copper tripeptide may be freed from existing extracellular proteins via proteolysis and serves as a chemoattractant for inflammatory and endothelial cells. Copper tripeptide has been shown to increase messenger RNA production for collagen, elastin, proteoglycans, and glycosaminoglycans in fibroblasts. Copper tripeptide is a natural modulator of multiple cllular pathways in skin regeneration[1]. Copper tripeptide (GHK-Cu) is a tripeptide. During wound healing, copper tripeptide may be freed from existing extracellular proteins via proteolysis and serves as a chemoattractant for inflammatory and endothelial cells. Copper tripeptide has been shown to increase messenger RNA production for collagen, elastin, proteoglycans, and glycosaminoglycans in fibroblasts. Copper tripeptide is a natural modulator of multiple cllular pathways in skin regeneration[1].
PRX-08066
C19H17ClFN5S (401.08771640000003)
PRX-08066 is a selective 5-hydroxytryptamine receptor 2B (5-HT2BR, IC50= 3.4 nM) antagonist that causes selective vasodilation of pulmonary arteries. IC50 value: 3.4 nM [1] Target: HT2B receptor in vitro: PRX-08066 inhibits 5-HT-induced mitogen-activated protein kinase activation with IC50 of 12 nM and markedly reduces thymidine incorporation with IC50 of 3 nM in Chinese hamster ovary cells expressing the human 5-HT2BR, which suggests that PRX-08066 can potentially inhibit the pathologic 5-HT-induced vascular muscularization associated with PAH [1]. PRX-08066 inhibits cell proliferation with IC50 of 0.46 nM and with a maximum inhibition of 20\% and 5-HT secretion with IC50 of 6.9 nM with a maximum inhibition of 30\% in the 5-HT(2B) expressing SI-NET cell line, KRJ-I. PRX-08066 inhibits isoproterenol-stimulated 5-HT release with IC50 of 1.25 nM and a maximum inhibition of 60\% in NCI-H720 cells. PRX-08066 (0.5 nM) significantly inhibits ERK phosphorylation in KRJ-I cells. PRX-08066 inhibits TGFβ1, CTGF and FGF2 transcription and secretion in KRJ-I cells. PRX-08066 decreases level of transcripts for Ki67 (84\%) as well as Ki67 protein (36.8\%) associated with an increase in caspase 3 transcript levels in KRJ-I cells. PRX-08066 decreases level of transcripts of TGFβ1, FGF2 and TPH1 in KRJ-I cells. PRX-08066 significantly increases the number of dead cells (34\%) compared with untreated controls in KRJ-I cells. PRX-08066 causes a significant increase in dead/caspase 3 positive cells (76\%) and caspase 3 activity (52\%) in HEK293 cells [2]. in vivo: PRX-08066 (100 mg/kg) treated groups demonstrates less right ventricular hypertrophy and septal flattening than the monocrotaline control group in rats. PRX-08066 significantly reduces peak pulmonary artery pressure at 50 mg/kg and 100 mg/kg compared with monocrotaline control rats. PRX-08066 also significantly reduces right ventricle (RV)/body weight and RV/left ventricle + septum, compared with MCT-treated rats. PRX-08066 significantly attenuates the elevation in pulmonary artery pressure and RV hypertrophy and maintains cardiac function. PRX-08066 significantly reduces the hypoxia-dependent increase in right ventricular systolic pressure in both rats and mice without affecting the systemic mean arterial pressure in the animals [1]. PRX-08066 (100 mg/kg) significantly inhibits both right ventricular systolic pressure and right ventricular/left ventricular +septum weight elevations in rats. PRX-08066 (30 mg/kg) inhibits right ventricular systolic pressure and monocrotaline-induced ERK phosphorylation in whole lung homogenates in rats [3].
SIRT5 inhibitor 3
C22H12FN3O4 (401.08118040000005)
SIRT5 inhibitor 3 (compound 46) is a potent and competitive SIRT5 inhibitor with an IC50 value of 5.9 μM. SIRT5 inhibitor 3 can inhibit SIRT5 desuccinylation. SIRT5 inhibitor 3 can be used for researching cancer and neurodegenerative diseases[1].