Exact Mass: 551.2155
Exact Mass Matches: 551.2155
Found 443 metabolites which its exact mass value is equals to given mass value 551.2155
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bosentan
Bosentan is a dual endothelin receptor antagonist important in the treatment of pulmonary artery hypertension (PAH). It is licensed in the United States, the European Union and other countries by Actelion Pharmaceuticals for the management of PAH under the trade name Tracleer®. Bosentan is used to treat pulmonary hypertension by blocking the action of endothelin molecules that would otherwise promote narrowing of the blood vessels and lead to high blood pressure. C - Cardiovascular system > C02 - Antihypertensives > C02K - Other antihypertensives > C02KX - Antihypertensives for pulmonary arterial hypertension D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D065128 - Endothelin Receptor Antagonists C28313 - Endothelin Receptor Antagonist Bosentan is a competitive and dual antagonist of endothelin-1 (ET) for the ETA and ETB receptors with Ki of 4.7 nM and 95 nM in human SMC, respectively.
Astin I
Astin I is found in fruits. Astin I is a constituent of Actinidia kolomikta (kiwi fruit). Constituent of Actinidia kolomikta (kiwi fruit). Astin I is found in fruits.
Simmondsin 2'-ferulate
Simmondsin 2-ferulate is found in coffee and coffee products. Simmondsin 2-ferulate is a constituent of the seeds of jojoba Constituent of the seeds of jojoba. Simmondsin 2-ferulate is found in coffee and coffee products, fats and oils, and nuts.
Endoxifen O-glucuronide
Endoxifen O-glucuronide is a metabolite of tamoxifen. Tamoxifen is an antagonist of the estrogen receptor in breast tissue via its active metabolite, hydroxytamoxifen. In other tissues such as the endometrium, it behaves as an agonist, and thus may be characterized as a mixed agonist/antagonist. Tamoxifen is the usual endocrine therapy for hormone receptor-positive breast cancer in pre-menopausal women, and is also a standard in post-menopausal women although aromatase inhibitors are also frequently used in that setting. (Wikipedia)
Haloperidol glucuronide
Haloperidol glucuronide is a metabolite of haloperidol. Haloperidol is a typical antipsychotic. It is in the butyrophenone class of antipsychotic medications and has pharmacological effects similar to the phenothiazines. Haloperidol is an older antipsychotic used in the treatment of schizophrenia and acute psychotic states and delirium. (Wikipedia)
4-Hydroxytamoxifen-N-glucuronide
4-Hydroxytamoxifen-N-glucuronide is a metabolite of tamoxifen. Tamoxifen is an antagonist of the estrogen receptor in breast tissue via its active metabolite, hydroxytamoxifen. In other tissues such as the endometrium, it behaves as an agonist, and thus may be characterized as a mixed agonist/antagonist. Tamoxifen is the usual endocrine therapy for hormone receptor-positive breast cancer in pre-menopausal women, and is also a standard in post-menopausal women although aromatase inhibitors are also frequently used in that setting. (Wikipedia)
(p-SCN-Bn)-dota
Akt inhibitor VIII
AKT inhibitor VIII (AKTi-1/2) is a cell-permeable quinoxaline compound that has been shown to potently, selectively, allosterically, and reversibly inhibit Akt1, Akt2, and Akt3 activity with IC50s of 58 nM, 210 nM, and 2119 nM, respectively.
Saredutant
(+)-8beta-(4-hydroxybenzyl)-2-methoxy-10-O-(beta-xylopyranosyl)berbin-3,11-diol|(+)-8beta-<4-hydroxybenzyl>-2-methoxy-10-O-berbin-3,11-diol|O10-beta-Xylopyranoside-8-(4-Hydroxybenzyl)-2-methoxy-3,10,11-berbintriol
(+)-8alpha-(4-hydroxybenzyl)-2-methoxy-10-O-(beta-xylopyranosyl)berbin-3,9-diol|(+)-8alpha-<4-hydroxybenzyl>-2-methoxy-10-O-berbin-3,9-diol
Phe Asp Arg Asp
Gln Ile Tyr Glu
Bosentan
C - Cardiovascular system > C02 - Antihypertensives > C02K - Other antihypertensives > C02KX - Antihypertensives for pulmonary arterial hypertension D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D065128 - Endothelin Receptor Antagonists C28313 - Endothelin Receptor Antagonist CONFIDENCE standard compound; INTERNAL_ID 2738 CONFIDENCE standard compound; INTERNAL_ID 8515 Bosentan is a competitive and dual antagonist of endothelin-1 (ET) for the ETA and ETB receptors with Ki of 4.7 nM and 95 nM in human SMC, respectively.
Ala Glu Phe Trp
Ala Glu Trp Phe
Ala Phe Glu Trp
Ala Phe Trp Glu
Ala Trp Glu Phe
Ala Trp Phe Glu
Cys Asp Glu Trp
Cys Asp Trp Glu
Cys Glu Asp Trp
Cys Glu Trp Asp
Cys Phe Pro Trp
Cys Phe Trp Pro
Cys His His Arg
Cys His Arg His
Cys Ile Met Trp
Cys Ile Trp Met
Cys Leu Met Trp
Cys Leu Trp Met
Cys Met Ile Trp
Cys Met Leu Trp
Cys Met Trp Ile
Cys Met Trp Leu
Cys Pro Phe Trp
Cys Pro Trp Phe
Cys Arg His His
Cys Trp Asp Glu
Cys Trp Glu Asp
Cys Trp Phe Pro
Cys Trp Ile Met
Cys Trp Leu Met
Cys Trp Met Ile
Cys Trp Met Leu
Cys Trp Pro Phe
Asp Cys Glu Trp
Asp Cys Trp Glu
Asp Asp Phe Arg
Asp Asp Arg Phe
Asp Glu Cys Trp
Asp Glu Trp Cys
Asp Phe Asp Arg
Asp Phe Arg Asp
Asp Met Met Arg
Asp Met Arg Met
Asp Met Thr Trp
Asp Met Trp Thr
Asp Arg Asp Phe
Asp Arg Phe Asp
Asp Arg Met Met
Asp Thr Met Trp
Asp Thr Trp Met
Asp Trp Cys Glu
Asp Trp Glu Cys
Asp Trp Met Thr
Asp Trp Thr Met
Glu Ala Phe Trp
Glu Ala Trp Phe
Glu Cys Asp Trp
Glu Cys Trp Asp
Glu Asp Cys Trp
Glu Asp Trp Cys
Glu Glu Phe Lys
Glu Glu Phe Gln
Glu Glu Lys Phe
Glu Glu Gln Phe
Glu Phe Ala Trp
Glu Phe Glu Lys
Glu Phe Glu Gln
Glu Phe Lys Glu
Glu Phe Gln Glu
Glu Phe Trp Ala
Glu Ile Gln Tyr
Glu Ile Tyr Gln
Glu Lys Glu Phe
Glu Lys Phe Glu
Glu Leu Gln Tyr
Glu Leu Tyr Gln
Glu Met Ser Trp
Glu Met Trp Ser
Glu Gln Glu Phe
Glu Gln Phe Glu
Glu Gln Ile Tyr
Glu Gln Leu Tyr
Glu Gln Tyr Ile
Glu Gln Tyr Leu
Glu Ser Met Trp
Glu Ser Trp Met
Glu Trp Ala Phe
Glu Trp Cys Asp
Glu Trp Asp Cys
Glu Trp Phe Ala
Glu Trp Met Ser
Glu Trp Ser Met
Glu Tyr Ile Gln
Glu Tyr Leu Gln
Glu Tyr Gln Ile
Glu Tyr Gln Leu
Phe Ala Glu Trp
Phe Ala Trp Glu
Phe Cys Pro Trp
Phe Cys Trp Pro
Phe Asp Asp Arg
Phe Glu Ala Trp
Phe Glu Glu Lys
Phe Glu Glu Gln
Phe Glu Lys Glu
Phe Glu Gln Glu
Phe Glu Trp Ala
Phe Lys Glu Glu
Phe Pro Cys Trp
Phe Pro Trp Cys
Phe Gln Glu Glu
Phe Arg Asp Asp
Phe Trp Ala Glu
Phe Trp Cys Pro
Phe Trp Glu Ala
Phe Trp Pro Cys
His Cys His Arg
His Cys Arg His
His His Cys Arg
His His Lys Met
His His Met Lys
His His Met Gln
His His Gln Met
His His Arg Cys
His Lys His Met
His Lys Met His
His Met His Lys
His Met His Gln
His Met Lys His
His Met Gln His
His Gln His Met
His Gln Met His
His Arg Cys His
His Arg His Cys
Ile Cys Met Trp
Ile Cys Trp Met
Ile Glu Gln Tyr
Ile Glu Tyr Gln
Ile Met Cys Trp
Ile Met Trp Cys
Ile Gln Glu Tyr
Ile Gln Tyr Glu
Ile Trp Cys Met
Ile Trp Met Cys
Ile Tyr Glu Gln
Ile Tyr Gln Glu
Lys Glu Glu Phe
Lys Glu Phe Glu
Lys Phe Glu Glu
Lys His His Met
Lys His Met His
Lys Met His His
Leu Cys Met Trp
Leu Cys Trp Met
Leu Glu Gln Tyr
Leu Glu Tyr Gln
Leu Met Cys Trp
Leu Met Trp Cys
Leu Gln Glu Tyr
Leu Gln Tyr Glu
Leu Trp Cys Met
Leu Trp Met Cys
Leu Tyr Glu Gln
Leu Tyr Gln Glu
Met Cys Ile Trp
Met Cys Leu Trp
Met Cys Trp Ile
Met Cys Trp Leu
Met Asp Met Arg
Met Asp Arg Met
Met Asp Thr Trp
Met Asp Trp Thr
Met Glu Ser Trp
Met Glu Trp Ser
Met His His Lys
Met His His Gln
Met His Lys His
Met His Gln His
Met Ile Cys Trp
Met Ile Trp Cys
Met Lys His His
Met Leu Cys Trp
Met Leu Trp Cys
Met Met Asp Arg
Met Met Arg Asp
Met Gln His His
Met Arg Asp Met
Met Arg Met Asp
Met Ser Glu Trp
Met Ser Trp Glu
Met Thr Asp Trp
Met Thr Trp Asp
Met Trp Cys Ile
Met Trp Cys Leu
Met Trp Asp Thr
Met Trp Glu Ser
Met Trp Ile Cys
Met Trp Leu Cys
Met Trp Ser Glu
Met Trp Thr Asp
Asn Gln Gln Tyr
Asn Gln Tyr Gln
Asn Tyr Gln Gln
Pro Cys Phe Trp
Pro Cys Trp Phe
Pro Phe Cys Trp
Pro Phe Trp Cys
Pro Ser Trp Tyr
Pro Ser Tyr Trp
Pro Trp Cys Phe
Pro Trp Phe Cys
Pro Trp Ser Tyr
Pro Trp Tyr Ser
Pro Tyr Ser Trp
Pro Tyr Trp Ser
Gln Glu Glu Phe
Gln Glu Phe Glu
Gln Glu Ile Tyr
Gln Glu Leu Tyr
Gln Glu Tyr Ile
Gln Glu Tyr Leu
Gln Phe Glu Glu
Gln His His Met
Gln His Met His
Gln Ile Glu Tyr
Gln Leu Glu Tyr
Gln Leu Tyr Glu
Gln Met His His
Gln Asn Gln Tyr
Gln Asn Tyr Gln
Gln Gln Asn Tyr
Gln Gln Tyr Asn
Gln Tyr Glu Ile
Gln Tyr Glu Leu
Gln Tyr Ile Glu
Gln Tyr Leu Glu
Gln Tyr Asn Gln
Gln Tyr Gln Asn
Arg Cys His His
Arg Asp Asp Phe
Arg Asp Phe Asp
Arg Asp Met Met
Arg Phe Asp Asp
Arg His Cys His
Arg His His Cys
Arg Met Asp Met
Arg Met Met Asp
Ser Glu Met Trp
Ser Glu Trp Met
Ser Met Glu Trp
Ser Met Trp Glu
Ser Pro Trp Tyr
Ser Pro Tyr Trp
Ser Trp Glu Met
Ser Trp Met Glu
Ser Trp Pro Tyr
Ser Trp Tyr Pro
Ser Tyr Pro Trp
Ser Tyr Trp Pro
Thr Asp Met Trp
Thr Asp Trp Met
Thr Met Asp Trp
Thr Met Trp Asp
Thr Trp Asp Met
Thr Trp Met Asp
Trp Ala Glu Phe
Trp Ala Phe Glu
Trp Cys Asp Glu
Trp Cys Glu Asp
Trp Cys Phe Pro
Trp Cys Ile Met
Trp Cys Leu Met
Trp Cys Met Ile
Trp Cys Met Leu
Trp Cys Pro Phe
Trp Asp Cys Glu
Trp Asp Glu Cys
Trp Asp Met Thr
Trp Asp Thr Met
Trp Glu Ala Phe
Trp Glu Cys Asp
Trp Glu Asp Cys
Trp Glu Phe Ala
Trp Glu Met Ser
Trp Glu Ser Met
Trp Phe Ala Glu
Trp Phe Cys Pro
Trp Phe Glu Ala
Trp Phe Pro Cys
Trp Ile Cys Met
Trp Ile Met Cys
Trp Leu Cys Met
Trp Leu Met Cys
Trp Met Cys Ile
Trp Met Cys Leu
Trp Met Asp Thr
Trp Met Glu Ser
Trp Met Ile Cys
Trp Met Leu Cys
Trp Met Ser Glu
Trp Met Thr Asp
Trp Pro Cys Phe
Trp Pro Phe Cys
Trp Pro Ser Tyr
Trp Pro Tyr Ser
Trp Ser Glu Met
Trp Ser Met Glu
Trp Ser Pro Tyr
Trp Ser Tyr Pro
Trp Thr Asp Met
Trp Thr Met Asp
Trp Tyr Pro Ser
Trp Tyr Ser Pro
Tyr Glu Ile Gln
Tyr Glu Leu Gln
Tyr Glu Gln Ile
Tyr Glu Gln Leu
Tyr Ile Glu Gln
Tyr Ile Gln Glu
Tyr Leu Glu Gln
Tyr Leu Gln Glu
Tyr Asn Gln Gln
Tyr Pro Ser Trp
Tyr Pro Trp Ser
Tyr Gln Glu Ile
Tyr Gln Glu Leu
Tyr Gln Ile Glu
Tyr Gln Leu Glu
Tyr Gln Asn Gln
Tyr Gln Gln Asn
Tyr Ser Pro Trp
Tyr Ser Trp Pro
Tyr Trp Pro Ser
Tyr Trp Ser Pro
benzyl 4-(1,3-dioxoisoindolin-2-yl)-2,2-dimethyl-3,5-dioxo-2,3,4,5-tetrahydro-3H-spiro[furan-2,9-imidazo[1,2-a]indole]-1(9aH)-carboxylate
Simmondsin 2'-ferulate
2,6-DIPHENYL-4-(2,4,6-TRIPHENYL-1-PYRIDINIO)PHENOLATE
TERT-BUTYL 4-(6-((5-(2-(7-CHLORO-1H-INDOL-4-YL)VINYL)THIAZOL-2-YL)AMINO)-2-METHYLPYRIMIDIN-4-YL)PIPERAZINE-1-CARBOXYLATE
N-[4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
(1S,2S,3S,5S)-5-(2-Amino-6-(benzyloxy)-9H-purin-9-yl)-3-(benzyloxy)-2-(benzyloxymethyl)cyclopentanol
2-Oxazolidinone, 3-[6-[2-[(2,6-dichlorophenyl)Methoxy]ethoxy]hexyl]-5-(2,2-dimethyl-4H-1, 3-benzodioxin-6-yl)-, (5R)-
Saredutant
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent Saredutant is a selective NK2 receptor antagonist.
Enzastaurin Hydrochloride
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor
[(2S,3R,4R,5R,6S)-4-(dimethylamino)-5-hydroxy-6-(1-hydroxy-10,12-dimethoxy-8-methyl-6-oxonaphtho[1,2-c]isochromen-4-yl)-2-methyloxan-3-yl] acetate
N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide
[(3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-morpholinyl)methanone
[(3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-morpholin-4-ylmethanone
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methylbenzenesulfonamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide
(1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-[2-(4-morpholinyl)-1-oxoethyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methylbenzenesulfonamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methylbenzenesulfonamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methylbenzenesulfonamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methylbenzenesulfonamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methylbenzenesulfonamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(phenylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-methylbenzenesulfonamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide
(3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
(1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-[2-(4-morpholinyl)-1-oxoethyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide
2-[(2R,9S,12R,13R,15S)-15-[(E)-hex-4-enoyl]-12-[(E)-oct-6-enyl]-4,6,18-trioxo-5,16,17-trioxapentacyclo[7.7.2.01,10.02,13.03,7]octadeca-3(7),10-dien-9-yl]acetate
6-[1-[2-[3-(3,4-Dimethoxyphenyl)propanoylamino]ethyl]-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
AKT inhibitor VIII
AKT inhibitor VIII (AKTi-1/2) is a cell-permeable quinoxaline compound that has been shown to potently, selectively, allosterically, and reversibly inhibit Akt1, Akt2, and Akt3 activity with IC50s of 58 nM, 210 nM, and 2119 nM, respectively.
N-succinyl-Leu-Tyr-7-amido-4-methylcoumarin
Coumarin carrying a methyl group at C-4 and a succinyl-leucyl-tryrosyl side-chain at C-7.
DGAT1-IN-1
DGAT1-IN-1 is a potent DGAT1 inhibitor with IC50 of < 10 nM(cell lysate from Hep3B cells overexpressing human DGAT1). IC50 value: < 10 nM Target: DGAT1 inhibitor Imidazopyridine and imidazothiazole compounds as inhibitors of diacylglycerol o-acyltransferase type 1 enzyme and their preparation By Kim, Dooseop; Bok, Juhan; Shin, Sunmi From PCT Int. Appl. (2013), WO 2013119040 A1 20130815.