Exact Mass: 401.0736
Exact Mass Matches: 401.0736
Found 130 metabolites which its exact mass value is equals to given mass value 401.0736,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Oxacillin
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
Fenoldopam mesylate
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).
Dda-tetracycline
Flavopiridol
Voreloxin
N-(4-Nitroanilino)-N-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)methanethioamide
3-(4-Benzylpiperazino)-2-[(4-chlorophenyl)sulfonyl]acrylonitrile
7-butyl-3,4,9-trihydroxy-8-methoxy-5,10-dioxo-5,10-dihydro-benzo[g]quinoline-2-carboxylic acid methyl ester
Xanthiside
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)
N-[3-Cyano-7-(cyclopropylcarbonyl)-4,5,6,7-tetrahydrothieno[2,3-b ]pyridin-2-yl]-1-naphthamide
4-(3-BROMO-PHENYL)-2-(4-TERT-BUTYL-PHENOXYMETHYL)-THIAZOLE
penflutizide
C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49185 - Thiazide Diuretic
TERT-BUTYL 5-(BENZYLOXY)-3-BROMO-1H-INDOLE-1-CARBOXYLATE
TERT-BUTYL 7-(BENZYLOXY)-3-BROMO-1H-INDOLE-1-CARBOXYLATE
Benzenepropanoic acid, α-[[(6-amino-3,5-difluoro-2-pyridinyl)amino]methylene]-2,4,5-trifluoro-β-oxo-, ethyl ester
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
clinafloxacin hydrochloride
C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
Alvocidib
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
(S)-4-(DINAPHTHO[2,1-D:1,2-F][1,3,2]DIOXAPHOSPHEPIN-4-YL)MORPHOLINE
Asenapine Maleate
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
(3S)-(7-Bromo-2-oxo-5-pyridin-2-yl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-propionic acid Methyl ester
Triflumidate
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Voreloxin
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents
4-[(3-chlorophenyl)azo]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
ethyl 2-piperazin-1-yl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxylate
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
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
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-
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D061965 - Matrix Metalloproteinase Inhibitors
[(2S)-3-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]-2-hydroxypropyl]-(phenylmethyl)phosphinic acid
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists
8-(1,3-Benzothiazol-2-ylthio)-3-methyl-7-pentylpurine-2,6-dione
4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
2-[2-Amino-5-(2-bromophenoxy)pyrimidin-4-yl]-5-ethoxyphenol
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
2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-prop-2-enyl-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one
2-(4-Fluorophenyl)-3-(2-furanylmethyl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione
5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)ethyl)thiophene-2-carboxamide
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
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
grixazone A
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
4-[4-[(2-Oxo-1,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]benzoic acid
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
(5Z)-1-(4-bromophenyl)-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
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
(3S)-versiconol acetate(1-)
An optically active form of versiconol acetate(1-) having 3S-configuration.
N-(5-chloro-2,4-dimethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
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
2-[(2-cyanophenyl)thio]-N-[4-[dimethylamino(oxo)methyl]phenyl]benzamide
N-(5-bromo-2-oxo-3-indolyl)-2-(2,6-dimethylphenoxy)acetohydrazide
2-(1,3-Diphenyl-4-pyrazolyl)-3-(2-furanylmethyl)-4-thiazolidinone
N-{[(4-ethoxy-2-nitrophenyl)amino]carbonothioyl}-3-(4-methoxyphenyl)acrylamide
2-(4-methoxyphenyl)-N-[4-[(5-methyl-3-isoxazolyl)sulfamoyl]phenyl]acetamide
2-(2-methoxyphenyl)-N-[(3-methyl-2-thienyl)methylene]-4-quinolinecarbohydrazide
2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-nitrophenyl)acetamide
N-[2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-4-methoxybenzohydrazide
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
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
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
N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
Versiconol acetate(1-)
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
(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
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
ABT-724 (trihydrochloride)
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
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
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].
