Exact Mass: 456.04983999999996
Exact Mass Matches: 456.04983999999996
Found 64 metabolites which its exact mass value is equals to given mass value 456.04983999999996,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
6-(Dibromomethylene)testosterone
C20H26Br2O2 (456.02994160000003)
Lemildipine
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
Selumetinib
C17H15BrClFN4O3 (456.00000220000004)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EE - Mitogen-activated protein kinase (mek) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C69145 - Mitogen-Activated Protein Kinase Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor Selumetinib (AZD6244) is selective, non-ATP-competitive oral MEK1/2 inhibitor, with an IC50 of 14 nM for MEK1. Selumetinib (AZD6244) inhibits ERK1/2 phosphorylation.
Benzanilide, 2,2-dithiobis-
CONFIDENCE standard compound; INTERNAL_ID 681; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5297; ORIGINAL_PRECURSOR_SCAN_NO 5295 CONFIDENCE standard compound; INTERNAL_ID 681; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5312; ORIGINAL_PRECURSOR_SCAN_NO 5310 CONFIDENCE standard compound; INTERNAL_ID 681; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5270; ORIGINAL_PRECURSOR_SCAN_NO 5265 CONFIDENCE standard compound; INTERNAL_ID 681; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5309; ORIGINAL_PRECURSOR_SCAN_NO 5307 CONFIDENCE standard compound; INTERNAL_ID 681; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5302; ORIGINAL_PRECURSOR_SCAN_NO 5298 CONFIDENCE standard compound; INTERNAL_ID 681; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5305; ORIGINAL_PRECURSOR_SCAN_NO 5304 CONFIDENCE standard compound; INTERNAL_ID 681; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7946; ORIGINAL_PRECURSOR_SCAN_NO 7945 CONFIDENCE standard compound; INTERNAL_ID 681; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7977; ORIGINAL_PRECURSOR_SCAN_NO 7975 CONFIDENCE standard compound; INTERNAL_ID 681; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7986; ORIGINAL_PRECURSOR_SCAN_NO 7982 CONFIDENCE standard compound; INTERNAL_ID 681; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8027; ORIGINAL_PRECURSOR_SCAN_NO 8025 CONFIDENCE standard compound; INTERNAL_ID 681; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8030; ORIGINAL_PRECURSOR_SCAN_NO 8028
Cys Cys Cys Glu
Cys Cys Glu Cys
Cys Glu Cys Cys
Glu Cys Cys Cys
CAY10561
C22H15Cl2FN4O2 (456.05560419999995)
(tert-Butoxycarbonylmethyl)triphenylphosphanium bromide
C24H26BrO2P (456.08536860000004)
3,5-Bis(benzoyl)-1-methanesulfonyloxy-2-deoxy-2,2-difluororibose
C20H18F2O8S (456.06904119999996)
2-Deoxy-2,2-difluoro-D-ribofuranose-3,5-dibenzoate-1-methanesulfonate
C20H18F2O8S (456.06904119999996)
Poly(oxy-1,2-ethanediyl), .alpha.-tridecyl-.omega.-hydroxy-, phosphate, potassium salt
Phosphonium,(4-ethoxy-4-oxobutyl)triphenyl-, bromide (1:1)
C24H26BrO2P (456.08536860000004)
2-Deoxy-2,2-difluoro-D-erythro-pentofuranose-3,5-dibenzoate-1-methanesulfonate
C20H18F2O8S (456.06904119999996)
(2,4-Dichlorobenzyl)triphenylphosphonium Chloride
C25H20Cl3P (456.03681400000005)
(5-Carboxypentyl) triphenyl phosphonium bromide
C24H26BrO2P (456.08536860000004)
2,6-dichlorobenzyl triphenylphosphonium chloride
C25H20Cl3P (456.03681400000005)
2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide
C24H26BrO2P (456.08536860000004)
3,3,5,5-tetrakis(trifluoromethyl)benzhydrol
C17H8F12O (456.03835019999997)
Vinyltriethylsilane(hexafluoroacetylacetonate)silver(I)
Gdc-0623
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C69145 - Mitogen-Activated Protein Kinase Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
2-benzyl-3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
5-(3-Morpholin-4-YL-propyl)-2-(3-nitro-phenyl)-4-thioxo-4,5-dihydro-1-thia-3B,5-diaza-cyclopenta[A]pentalen-6-one
Selumetinib
C17H15BrClFN4O3 (456.00000220000004)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EE - Mitogen-activated protein kinase (mek) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C69145 - Mitogen-Activated Protein Kinase Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor Selumetinib (AZD6244) is selective, non-ATP-competitive oral MEK1/2 inhibitor, with an IC50 of 14 nM for MEK1. Selumetinib (AZD6244) inhibits ERK1/2 phosphorylation.
Lemildipine
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
1-Benzothiophene-3-carboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
N-[4-[[2-(4-hydroxyphenyl)-1,3-dioxo-5-isoindolyl]oxy]phenyl]-2-thiophenecarboxamide
6-[4-Oxo-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-thieno[3,2-d]pyrimidinyl]hexanoic acid
3-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl]-1-benzothiophene-2-carboxamide
7-Methyl-7,8-dihydroguanosine-5-diphosphate(3-)
C11H16N5O11P2-3 (456.03215459999996)
7-Hydroxy-8-[(naphthalen-1-yl)diazenyl]naphthalene-1,3-disulfonate
7-Methyl-7,8-dihydroguanosine-5-diphosphate(3-)
C11H16N5O11P2 (456.03215459999996)
An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of 7-methyl-7,8-dihydroguanosine-5-diphosphate.
Tinlorafenib
C19H19ClF2N4O3S (456.08343979999995)
Tinlorafenib (PF-07284890) (compound 10) is an orally active BRAF kinase inhibitor, with IC50s of 4.25 and 2.7 nM for BRAFV600E/V600K respectively. Tinlorafenib demonstrates CNS penetration and can be used in the research of BRAF-associated malignant and benign tumors of the CNS as well as extracranial malignancies[1].
UNC9994 (hydrochloride)
UNC9994 hydrochloride is a functionally selective, β-arrestin–biased dopamine D2 receptor (D2R) agonist that selectively activates β-arrestin recruitment and signaling. UNC9994 hydrochloride shows a binding affinity with a Ki of 79 nM for D2R. UNC9994 hydrochloride is also an antagonist of Gi-regulated cAMP production and partial agonist for D2R/β-arrestin-2 interactions. UNC9994 hydrochloride shows antipsychotic-like activity[1].
(1r,4s,5r,6r,8r,9r,11r,14s,15r,18r,22r)-5,8,22-trihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,12,16-trione
C18H20N2O6S3 (456.04834600000004)
5,8,22-trihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,12,16-trione
C18H20N2O6S3 (456.04834600000004)
(2s)-1,2-bis({5-[(5e)-hept-5-en-1,3-diyn-1-yl]thiophen-2-yl})-2-hydroxypentane-1,4-dione
C27H20O3S2 (456.08538100000004)
(2r,3r,4s,5r)-2-{3,8-dichloro-12h-indolo[2,3-a]carbazol-11-yl}oxane-3,4,5-triol
(2r,3s)-7-hydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
1,2-bis[5-(hept-5-en-1,3-diyn-1-yl)thiophen-2-yl]-2-hydroxypentane-1,4-dione
C27H20O3S2 (456.08538100000004)
5,6,15,16-tetrahydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12,18-tetrone
6,6',8,8'-tetrahydroxy-3'-(methoxycarbonyl)-1,1'-dioxo-[7,7'-biisochromene]-3-carboxylic acid
C21H12O12 (456.03287520000003)
1,2-bis({5-[(5e)-hept-5-en-1,3-diyn-1-yl]thiophen-2-yl})-2-hydroxypentane-1,4-dione
C27H20O3S2 (456.08538100000004)
7-hydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
(1s,4r,5s,6s,8s,9s,11s,14r,15s,18s,22s)-5,8,22-trihydroxy-19,20,23-trithia-3,13-diazaheptacyclo[13.5.1.1⁶,¹¹.1¹⁴,¹⁸.0¹,¹³.0³,¹¹.0⁴,⁹]tricosane-2,12,16-trione
C18H20N2O6S3 (456.04834600000004)