Exact Mass: 457.20351660000006
Exact Mass Matches: 457.20351660000006
Found 500 metabolites which its exact mass value is equals to given mass value 457.20351660000006
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Minocycline
C23H27N3O7 (457.18489120000004)
Minocycline is only found in individuals that have used or taken this drug. It is a tetracycline analog, having a 7-dimethylamino and lacking the 5 methyl and hydroxyl groups, which is effective against tetracycline-resistant staphylococcus infections. [PubChem]Minocycline passes directly through the lipid bilayer or passively diffuses through porin channels in the bacterial membrane. Tetracyclines like minocycline bind to the 30S ribosomal subunit, preventing the binding of tRNA to the mRNA-ribosome complex and interfering with protein synthesis. A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AF - Antiinfectives for treatment of acne J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01A - Tetracyclines > J01AA - Tetracyclines C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 3205 KEIO_ID M159; [MS3] KO009052 KEIO_ID M159; [MS2] KO009051 KEIO_ID M159
5,10-Methylene-THF
5,10-Methylene-THF is an intermediate in glycine, serine and threonine metabolism and one carbon metabolism. 5,10-CH2-THF can also be used as a coenzyme in the biosynthesis of thymidine. More specifically it is the C1-donor in the reactions catalyzed by thymidylate synthase and thymidylate synthase (FAD). It also acts as a coenzyme in the synthesis of serine from glycine via the enzyme serine hydroxymethyl transferase. 5,10-Methylene-THF is a substrate for Methylenetetrahydrofolate reductase. This enzyme converts 5,10-methylenetetrahydrofolate to 5-methyltetrahydrofolate. This reaction is required for the multistep process that converts the amino acid homocysteine to methionine. The body uses methionine to make proteins and other important compounds. 5,10-CH2-THF is a substrate for many enzymes including Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase (mitochondrial), Aminomethyltransferase (mitochondrial), Serine hydroxymethyltransferase (mitochondrial), Methylenetetrahydrofolate reductase, C-1-tetrahydrofolate synthase (cytoplasmic), Serine hydroxymethyltransferase (cytosolic) and Thymidylate synthase. 5,10-Methylene-THF is an intermediate in the metabolism of Methane and the metabolism of Nitrogen. It is a substrate for Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase (mitochondrial), Aminomethyltransferase (mitochondrial), Serine hydroxymethyltransferase (mitochondrial), Methylenetetrahydrofolate reductase, C-1-tetrahydrofolate synthase (cytoplasmic), Serine hydroxymethyltransferase (cytosolic) and Thymidylate synthase. [HMDB] COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
O-Demethylpuromycin
C21H27N7O5 (457.20735720000005)
A derivative of puromycin lacking the O-methyl group on the tyrosyl residue.
AZIMILIDE
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
OA-6129 A
C20H31N3O7S (457.18826160000003)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
3-O-Acetylpapaveroxine
C24H27NO8 (457.17365820000003)
A benzylisoquinoline alkaloid that is 3-O-acetyl-4-O-demethylpapaveroxine in which the phenolic hydroxy group has been converted to the corresponding methyl ether. An intermediate in the biosynthesis of noscarpine in the opium poppy, Papaver somniferum.
5-Methyldihydrofolic acid
5-Methyldihydrofolic acid is a biopterin derivative present in human body fluids and tissues. (PMID: 932231) [HMDB] 5-Methyldihydrofolic acid is a biopterin derivative present in human body fluids and tissues. (PMID: 932231).
(6R)-5,10-Methylenetetrahydrofolate
Acolbifene
C29H31NO4 (457.22529660000004)
Azimilide
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
(4S,4As,5aR,12aS)-4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide
C23H27N3O7 (457.18489120000004)
Etrasimod
C26H26F3NO3 (457.18646820000004)
2-[[4-[(2-Amino-1-methyl-4-oxo-2,3-dihydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
2-[[4-[(2-Amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]-4-methylidenepentanedioic acid
Triazoledione
1-[[5-(4-Chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxy-3-[4-(4-methylpiperazin-1-yl)butyl]imidazol-2-one
(2,3-dihydro-1-oxo-1H-pyrrolo[1,2-a]pyrrol-7-yl)methyl (2S*,3S*)-3-[(beta-D-glucopyranosyl)oxy]-2-hydroxy-2-(1-methylethyl)butanoate
C21H31NO10 (457.19478660000004)
N-Ac-11-[(2-Amino-2-carboxyethyl)thio]-12-hydroxy-5,7,9-hexadecatrienedioic acid
12-seco-14-deoxyparsonsianine-13-methylester|13-Me ester-12-Seco-14-deoxyparsonsianine
methyl (6aS,11R,12bS)-5,6,6a,7,9,10,11,12,12a,12b-decahydro-13-hydroxy-3-{2-[(methoxycarbonyl)oxy]ethyl}-10,12b-dimethyl-4-oxo-4H-11,1-(metheno)azuleno[4,5-a]indolizine-2-carboxylate|paxiphylline C
phenyl(1,2,9,10-tetramethoxy-6-methyl-5,6-dihydro-4H-dibenzo[de,g]quinolin-7-yl)methanone
C28H27NO5 (457.18891320000006)
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.432 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.437
Minocycline
C23H27N3O7 (457.18489120000004)
A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AF - Antiinfectives for treatment of acne A tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01A - Tetracyclines > J01AA - Tetracyclines C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic
Ala Cys His Lys
C18H31N7O5S (457.21072760000004)
Ala Cys His Gln
Ala Cys Lys His
C18H31N7O5S (457.21072760000004)
Ala Cys Gln His
Ala Asp Pro Arg
Ala Asp Arg Pro
Ala His Cys Lys
C18H31N7O5S (457.21072760000004)
Ala His Cys Gln
Ala His Lys Cys
C18H31N7O5S (457.21072760000004)
Ala His Gln Cys
Ala Lys Cys His
C18H31N7O5S (457.21072760000004)
Ala Lys His Cys
C18H31N7O5S (457.21072760000004)
Ala Pro Asp Arg
Ala Pro Arg Asp
Ala Gln Cys His
Ala Gln His Cys
Ala Arg Asp Pro
Ala Arg Pro Asp
Cys Ala His Lys
C18H31N7O5S (457.21072760000004)
Cys Ala His Gln
Cys Ala Lys His
C18H31N7O5S (457.21072760000004)
Cys Ala Gln His
Cys His Ala Lys
C18H31N7O5S (457.21072760000004)
Cys His Ala Gln
Cys His Lys Ala
C18H31N7O5S (457.21072760000004)
Cys His Gln Ala
Cys Lys Ala His
C18H31N7O5S (457.21072760000004)
Cys Lys His Ala
C18H31N7O5S (457.21072760000004)
Cys Gln Ala His
Cys Gln His Ala
Asp Ala Pro Arg
Asp Ala Arg Pro
Asp Ile Asn Pro
Asp Ile Pro Asn
Asp Leu Asn Pro
Asp Leu Pro Asn
Asp Asn Ile Pro
Asp Asn Leu Pro
Asp Asn Pro Ile
Asp Asn Pro Leu
Asp Pro Ala Arg
Asp Pro Ile Asn
Asp Pro Leu Asn
Asp Pro Asn Ile
Asp Pro Asn Leu
Asp Pro Gln Val
Asp Pro Arg Ala
Asp Pro Val Gln
Asp Gln Pro Val
Asp Gln Val Pro
Asp Arg Ala Pro
Asp Arg Pro Ala
Asp Val Pro Gln
Asp Val Gln Pro
Glu Gly Pro Arg
Glu Gly Arg Pro
Glu Asn Pro Val
Glu Asn Val Pro
Glu Pro Gly Arg
Glu Pro Asn Val
Glu Pro Arg Gly
Glu Pro Val Asn
Glu Arg Gly Pro
Glu Arg Pro Gly
Glu Val Asn Pro
Glu Val Pro Asn
Gly Glu Pro Arg
Gly Glu Arg Pro
Gly His Met Asn
Gly His Asn Met
1,2,4-Triazolidine-3,5-dione, 1-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-4-(2-phenoxyethyl)-
Gly Met His Asn
Gly Met Asn His
Gly Asn His Met
Gly Asn Met His
Gly Pro Glu Arg
Gly Pro Arg Glu
Gly Pro Val Trp
Gly Pro Trp Val
Gly Arg Glu Pro
Gly Arg Pro Glu
Gly Val Pro Trp
Gly Val Trp Pro
Gly Trp Pro Val
Gly Trp Val Pro
His Ala Cys Lys
C18H31N7O5S (457.21072760000004)
His Ala Cys Gln
His Ala Lys Cys
C18H31N7O5S (457.21072760000004)
His Ala Gln Cys
His Cys Ala Lys
C18H31N7O5S (457.21072760000004)
His Cys Ala Gln
His Cys Lys Ala
C18H31N7O5S (457.21072760000004)
His Cys Gln Ala
His Gly Met Asn
His Gly Asn Met
His Lys Ala Cys
C18H31N7O5S (457.21072760000004)
His Lys Cys Ala
C18H31N7O5S (457.21072760000004)
His Lys Ser Ser
His Met Gly Asn
His Met Asn Gly
His Asn Gly Met
His Asn Met Gly
His Asn Ser Thr
C17H27N7O8 (457.19210219999997)
His Asn Thr Ser
C17H27N7O8 (457.19210219999997)
His Gln Ala Cys
His Gln Cys Ala
His Gln Ser Ser
C17H27N7O8 (457.19210219999997)
His Ser Lys Ser
His Ser Asn Thr
C17H27N7O8 (457.19210219999997)
His Ser Gln Ser
C17H27N7O8 (457.19210219999997)
His Ser Ser Lys
His Ser Ser Gln
C17H27N7O8 (457.19210219999997)
His Ser Thr Asn
C17H27N7O8 (457.19210219999997)
His Thr Asn Ser
C17H27N7O8 (457.19210219999997)
His Thr Ser Asn
C17H27N7O8 (457.19210219999997)
Ile Asp Asn Pro
Ile Asp Pro Asn
Ile Asn Asp Pro
Ile Asn Pro Asp
Ile Pro Asp Asn
Ile Pro Asn Asp
Lys Ala Cys His
C18H31N7O5S (457.21072760000004)
Lys Ala His Cys
C18H31N7O5S (457.21072760000004)
Lys Cys Ala His
C18H31N7O5S (457.21072760000004)
Lys Cys His Ala
C18H31N7O5S (457.21072760000004)
Lys His Ala Cys
C18H31N7O5S (457.21072760000004)
Lys His Cys Ala
C18H31N7O5S (457.21072760000004)
Lys His Ser Ser
Lys Ser His Ser
Lys Ser Ser His
Leu Asp Asn Pro
Leu Asp Pro Asn
Leu Asn Asp Pro
Leu Asn Pro Asp
Leu Pro Asp Asn
Leu Pro Asn Asp
Met Gly His Asn
Met Gly Asn His
Met His Gly Asn
Met His Asn Gly
Met Asn Gly His
Met Asn His Gly
Met Asn Pro Pro
C19H31N5O6S (457.19949460000004)
Met Pro Asn Pro
C19H31N5O6S (457.19949460000004)
Met Pro Pro Asn
C19H31N5O6S (457.19949460000004)
Asn Asp Ile Pro
Asn Asp Leu Pro
Asn Asp Pro Ile
Asn Asp Pro Leu
Asn Glu Pro Val
Asn Glu Val Pro
Asn Gly His Met
Asn Gly Met His
Asn His Gly Met
Asn His Met Gly
Asn His Ser Thr
C17H27N7O8 (457.19210219999997)
Asn His Thr Ser
C17H27N7O8 (457.19210219999997)
Asn Ile Asp Pro
Asn Ile Pro Asp
Asn Leu Asp Pro
Asn Leu Pro Asp
Asn Met Gly His
Asn Met His Gly
Asn Met Pro Pro
C19H31N5O6S (457.19949460000004)
Asn Asn Asn Pro
C17H27N7O8 (457.19210219999997)
Asn Asn Pro Asn
C17H27N7O8 (457.19210219999997)
Asn Pro Asp Ile
Asn Pro Asp Leu
Asn Pro Glu Val
Asn Pro Ile Asp
Asn Pro Leu Asp
Asn Pro Met Pro
C19H31N5O6S (457.19949460000004)
Asn Pro Asn Asn
C17H27N7O8 (457.19210219999997)
Asn Pro Pro Met
C19H31N5O6S (457.19949460000004)
Asn Pro Val Glu
Asn Ser His Thr
C17H27N7O8 (457.19210219999997)
Asn Ser Thr His
C17H27N7O8 (457.19210219999997)
Asn Thr His Ser
C17H27N7O8 (457.19210219999997)
Asn Thr Ser His
C17H27N7O8 (457.19210219999997)
Asn Val Glu Pro
Asn Val Pro Glu
Pro Ala Asp Arg
Pro Ala Arg Asp
Pro Asp Ala Arg
Pro Asp Ile Asn
Pro Asp Leu Asn
Pro Asp Asn Ile
Pro Asp Asn Leu
Pro Asp Gln Val
Pro Asp Arg Ala
Pro Asp Val Gln
Pro Glu Gly Arg
Pro Glu Asn Val
Pro Glu Arg Gly
Pro Glu Val Asn
Pro Gly Glu Arg
Pro Gly Arg Glu
Pro Gly Val Trp
Pro Gly Trp Val
Pro Ile Asp Asn
Pro Ile Asn Asp
Pro Leu Asp Asn
Pro Leu Asn Asp
Pro Met Asn Pro
C19H31N5O6S (457.19949460000004)
Pro Met Pro Asn
C19H31N5O6S (457.19949460000004)
Pro Asn Asp Ile
Pro Asn Asp Leu
Pro Asn Glu Val
Pro Asn Ile Asp
Pro Asn Leu Asp
Pro Asn Met Pro
C19H31N5O6S (457.19949460000004)
Pro Asn Asn Asn
C17H27N7O8 (457.19210219999997)
Pro Asn Pro Met
C19H31N5O6S (457.19949460000004)
Pro Asn Val Glu
Pro Pro Met Asn
C19H31N5O6S (457.19949460000004)
Pro Pro Asn Met
C19H31N5O6S (457.19949460000004)
Pro Gln Asp Val
Pro Gln Val Asp
Pro Arg Ala Asp
Pro Arg Asp Ala
Pro Arg Glu Gly
Pro Arg Gly Glu
Pro Val Asp Gln
Pro Val Glu Asn
Pro Val Gly Trp
Pro Val Asn Glu
Pro Val Gln Asp
Pro Val Trp Gly
Pro Trp Gly Val
Pro Trp Val Gly
Gln Ala Cys His
Gln Ala His Cys
Gln Cys Ala His
Gln Cys His Ala
Gln Asp Pro Val
Gln Asp Val Pro
Gln His Ala Cys
Gln His Cys Ala
Gln His Ser Ser
C17H27N7O8 (457.19210219999997)
Gln Pro Asp Val
Gln Pro Val Asp
Gln Ser His Ser
C17H27N7O8 (457.19210219999997)
Gln Ser Ser His
C17H27N7O8 (457.19210219999997)
Gln Val Asp Pro
Gln Val Pro Asp
Arg Ala Asp Pro
Arg Ala Pro Asp
Arg Asp Ala Pro
Arg Asp Pro Ala
Arg Glu Gly Pro
Arg Glu Pro Gly
Arg Gly Glu Pro
Arg Gly Pro Glu
Arg Pro Ala Asp
Arg Pro Asp Ala
Arg Pro Glu Gly
Arg Pro Gly Glu
Ser His Lys Ser
Ser His Asn Thr
C17H27N7O8 (457.19210219999997)
Ser His Gln Ser
C17H27N7O8 (457.19210219999997)
Ser His Ser Lys
Ser His Ser Gln
C17H27N7O8 (457.19210219999997)
Ser His Thr Asn
C17H27N7O8 (457.19210219999997)
Ser Lys His Ser
Ser Lys Ser His
Ser Asn His Thr
C17H27N7O8 (457.19210219999997)
Ser Asn Thr His
C17H27N7O8 (457.19210219999997)
Ser Gln His Ser
C17H27N7O8 (457.19210219999997)
Ser Gln Ser His
C17H27N7O8 (457.19210219999997)
Ser Ser His Lys
Ser Ser His Gln
C17H27N7O8 (457.19210219999997)
Ser Ser Lys His
Ser Ser Gln His
C17H27N7O8 (457.19210219999997)
Ser Thr His Asn
C17H27N7O8 (457.19210219999997)
Ser Thr Asn His
C17H27N7O8 (457.19210219999997)
Thr His Asn Ser
C17H27N7O8 (457.19210219999997)
Thr His Ser Asn
C17H27N7O8 (457.19210219999997)
Thr Asn His Ser
C17H27N7O8 (457.19210219999997)
Thr Asn Ser His
C17H27N7O8 (457.19210219999997)
Thr Ser His Asn
C17H27N7O8 (457.19210219999997)
Thr Ser Asn His
C17H27N7O8 (457.19210219999997)
Val Asp Pro Gln
Val Asp Gln Pro
Val Glu Asn Pro
Val Glu Pro Asn
Val Gly Pro Trp
Val Gly Trp Pro
Val Asn Glu Pro
Val Asn Pro Glu
Val Pro Asp Gln
Val Pro Glu Asn
Val Pro Gly Trp
Val Pro Asn Glu
Val Pro Gln Asp
Val Pro Trp Gly
Val Gln Asp Pro
Val Gln Pro Asp
Val Trp Gly Pro
Val Trp Pro Gly
Trp Gly Pro Val
Trp Gly Val Pro
Trp Pro Gly Val
Trp Pro Val Gly
Trp Val Gly Pro
Trp Val Pro Gly
5-Methyldihydrofolic acid
A member of the class of dihydrofolic acids that is dihydrofolic acid carrying a methyl substituent at position 5.
16-carboxy-17,18,19,20-tetranor-N-acetyl-LTE3
azd-8186
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
Thieno[2,3-b]quinoline-2-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-6-methyl-N-(3-methylphenyl)- (9CI)
C27H27N3O2S (457.18238820000005)
Thieno[2,3-b]quinoline-2-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-7-methyl-N-(2-methylphenyl)- (9CI)
C27H27N3O2S (457.18238820000005)
Thieno[2,3-b]quinoline-2-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-7-methyl-N-(3-methylphenyl)- (9CI)
C27H27N3O2S (457.18238820000005)
Benzenaminium,4-[[4-(dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl]-N-ethyl-N,N-dimethyl-,bromide chloride (1:1:1)
C26H33Cl2N3 (457.20513980000004)
[R-(E)]-alpha-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)benzenepropanol
C29H28ClNO2 (457.18084580000004)
2-amino-2-ethylpropane-1,3-diol,(4-nitrophenyl) dihydrogen phosphate
C16H32N3O10P (457.18252220000005)
[(S)-(E)]-2-[3-[3-[2-(7-chloro-2-quinolinyl)-ethenyl]-phenyl]-3-hydroxy propyl]-phenyl]-2-Propanol
C29H28ClNO2 (457.18084580000004)
2-amino-9-((1S,3R,4S)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylenecyclopentyl)-1H-purin-6(9H)-one
(2S)-3-amino-4-(4-tert-butylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)butanoic acid
C29H31NO4 (457.22529660000004)
Thieno[2,3-b]quinoline-2-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-7-methyl-N-(4-methylphenyl)- (9CI)
C27H27N3O2S (457.18238820000005)
(2R)-3-amino-4-(4-tert-butylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)butanoic acid
C29H31NO4 (457.22529660000004)
GDC-0068
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C155764 - AKT Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents Ipatasertib (GDC-0068) is an orally active, highly selective and ATP-competitive pan-Akt inhibitor with IC50 values of 5, 18, 8 nM for Akt1/2/3, respectively. Ipatasertib synchronously activates FoxO3a and NF-κB through inhibition of Akt leading to p53-independent activation of PUMA. Ipatasertib also induces apoptosis in cancer cells and inhibits tumor growth in xenograft mouse models[1][2].
Tematropium metilsulfate
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent
2-imino-8-methyl-5-oxo-1-(2-oxolanylmethyl)-N-(2-phenylethyl)-3-dipyrido[1,2-d:3,4-f]pyrimidinecarboxamide
(6R)-5,10-Methylenetetrahydrofolate
C2140 - Adjuvant > C2078 - Folic Acid Derivative
6((S)-3-Benzylpiperazin-1-YL)-3-(naphthalen-2-YL)-4-(pyridin-4-YL)pyrazine
2-(2-{2-[(Biphenyl-4-ylmethyl)-amino]-3-mercapto-pentanoylamino}-acetylamino)-3-methyl-butyric acid methyl ester
C24H31N3O4S (457.20351660000006)
1,2-DI-N-Pentanoyl-SN-glycero-3-dithiophosphocholine
C18H36NO6PS2 (457.17215660000005)
1-(2-{[(6-Amino-2-Methylpyridin-3-Yl)methyl]amino}ethyl)-6-Chloro-3-[(2,2-Difluoro-2-Pyridin-2-Ylethyl)amino]-1,4-Dihydropyrazin-2-Ol
C20H30ClF2N7O (457.21683040000005)
[(3R,4R,6R)-2,3-dihydroxy-2-methyl-6-(12-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)oxan-4-yl]azanium
2-amino-N-[(2R,3R,4S,5S)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide
C21H27N7O5 (457.20735720000005)
1-[[5-(4-Chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxy-3-[4-(4-methylpiperazin-1-yl)butyl]imidazol-2-one
5,10-Methylenetetrahydrofolic acid
C2140 - Adjuvant > C2078 - Folic Acid Derivative
Syncarpamide
C28H27NO5 (457.18891320000006)
An alkaloid that is the di-O-cinnamoyl derivative of 3,4-di-O-methylnorepinephrine. Isolated from Zanthoxylum syncarpum, it exhibits antiplasmodial activity.
Pro-Trp-Val-Gly
A tetrapeptide composed of L-proline, L-tryptophan, L-valine, and glycine joined by peptide linkages.
2-[4-(2,2-Dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenoxy]acetic acid
C28H27NO5 (457.18891320000006)
3-Benzyl-4-(3-(cyclohexylmethyl)-4-methoxybenzamido)benzoic acid
C29H31NO4 (457.22529660000004)
(1S,4aS,11aR,12aS)-3-carbamoyl-10-(dimethylamino)-1-(dimethylazaniumyl)-4a,5,7-trihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate
C23H27N3O7 (457.18489120000004)
4-[4-[[1-[(4-Methoxyphenyl)methyl]-5-tetrazolyl]-(3-pyridinyl)methyl]-1-piperazinyl]phenol
1-[3-[1-Cyano-2-oxo-2-[(phenylmethyl)amino]ethyl]-2-quinoxalinyl]-3-piperidinecarboxylic acid ethyl ester
N-(2-ethoxyphenyl)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-piperidinecarboxamide
C24H31N3O4S (457.20351660000006)
ethyl 4-[[2-[4-(2-chlorophenyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]acetyl]amino]piperidine-1-carboxylate
C24H28ClN3O4 (457.1768238000001)
4-Morpholinecarboxylic acid [4-[6-amino-5-cyano-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl] ester
C25H23N5O4 (457.17499580000003)
3-(4-ethylphenyl)-4-hydroxy-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinazolin-2-one
4-[[[4-[(4-Fluorophenyl)methyl]-2,3-dihydro-1,4-benzothiazin-6-yl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester
[(8S,9R,10S)-10-(hydroxymethyl)-9-[4-(2-methoxyphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]-(3-pyridinyl)methanone
C28H31N3O3 (457.23652960000004)
2,4-dihydroxy-3-({3-[(1S,4aS,5R,6R,7S,9S,9aR)-5-hydroxy-1,6-dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)benzoic acid
C24H27NO8 (457.17365820000003)
(E)-4-(dimethylamino)-N-[3-[(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl]but-2-enamide
(4R,12aR)-4,7-bis(dimethylamino)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide
C23H27N3O7 (457.18489120000004)
1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]-3-[4-(trifluoromethyl)phenyl]urea
C20H26F3N5O4 (457.1936792000001)
1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]-3-[4-(trifluoromethyl)phenyl]urea
C20H26F3N5O4 (457.1936792000001)
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide
C22H27N5O4S (457.1783662000001)
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide
C22H27N5O4S (457.1783662000001)
2-[(1S,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C24H28FN3O5 (457.20128900000003)
1-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]-3-[4-(trifluoromethyl)phenyl]urea
C20H26F3N5O4 (457.1936792000001)
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide
C22H27N5O4S (457.1783662000001)
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide
C22H27N5O4S (457.1783662000001)
2-[(1R,3R,4aR,9aS)-6-[(2-fluorophenyl)carbamoylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-propylacetamide
C24H28FN3O5 (457.20128900000003)
2-[(1S,3S,4aS,9aR)-6-[(2-fluorophenyl)carbamoylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-propylacetamide
C24H28FN3O5 (457.20128900000003)
2-[(1R,3S,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C24H28FN3O5 (457.20128900000003)
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(pyridine-4-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide
C24H28FN3O5 (457.20128900000003)
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(pyridine-4-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide
C24H28FN3O5 (457.20128900000003)
2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(pyridine-4-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide
C24H28FN3O5 (457.20128900000003)
(2R,3R,3aS,9bS)-N-(2,3-dihydro-1H-inden-2-yl)-3-(hydroxymethyl)-1-methyl-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
1-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]-3-[4-(trifluoromethyl)phenyl]urea
C20H26F3N5O4 (457.1936792000001)
1-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]-3-[4-(trifluoromethyl)phenyl]urea
C20H26F3N5O4 (457.1936792000001)
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide
C22H27N5O4S (457.1783662000001)
1-(2,5-difluorophenyl)-3-[(2R,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]urea
2-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C24H28FN3O5 (457.20128900000003)
2-[(1S,3R,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C24H28FN3O5 (457.20128900000003)
2-[(1R,3S,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C24H28FN3O5 (457.20128900000003)
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide
C24H28FN3O5 (457.20128900000003)
2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide
C24H28FN3O5 (457.20128900000003)
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide
C24H28FN3O5 (457.20128900000003)
(6R,7S,8S)-8-(hydroxymethyl)-7-[4-(4-methoxyphenyl)phenyl]-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C27H27N3O4 (457.20014620000006)
(6S,7S,8R)-8-(hydroxymethyl)-7-[4-(4-methoxyphenyl)phenyl]-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C27H27N3O4 (457.20014620000006)
(6R,7R,8R)-8-(hydroxymethyl)-7-[4-(4-methoxyphenyl)phenyl]-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C27H27N3O4 (457.20014620000006)
4-[[(6S,7S,8S)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-4-yl]methyl]benzoic acid methyl ester
C27H27N3O4 (457.20014620000006)
1-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]-3-[4-(trifluoromethyl)phenyl]urea
C20H26F3N5O4 (457.1936792000001)
1-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]-3-[4-(trifluoromethyl)phenyl]urea
C20H26F3N5O4 (457.1936792000001)
1-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]-3-[4-(trifluoromethyl)phenyl]urea
C20H26F3N5O4 (457.1936792000001)
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide
C22H27N5O4S (457.1783662000001)
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide
C22H27N5O4S (457.1783662000001)
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide
C22H27N5O4S (457.1783662000001)
2-[(1R,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C24H28FN3O5 (457.20128900000003)
2-[(1S,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C24H28FN3O5 (457.20128900000003)
2-[(1R,3R,4aR,9aS)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C24H28FN3O5 (457.20128900000003)
2-[(1S,3S,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C24H28FN3O5 (457.20128900000003)
2-[(1S,3S,4aR,9aS)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C24H28FN3O5 (457.20128900000003)
2-[(1S,3R,4aR,9aS)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
C24H28FN3O5 (457.20128900000003)
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide
C24H28FN3O5 (457.20128900000003)
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-[oxo(pyridin-4-yl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide
C24H28FN3O5 (457.20128900000003)
(2S,3S,3aR,9bR)-N-(2,3-dihydro-1H-inden-2-yl)-3-(hydroxymethyl)-1-methyl-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(6S,7R,8R)-8-(hydroxymethyl)-7-[4-(4-methoxyphenyl)phenyl]-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C27H27N3O4 (457.20014620000006)
(6S,7S,8S)-8-(hydroxymethyl)-7-[4-(4-methoxyphenyl)phenyl]-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C27H27N3O4 (457.20014620000006)
4-[[(6S,7R,8S)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-4-yl]methyl]benzoic acid methyl ester
C27H27N3O4 (457.20014620000006)
(6R,7R,8S)-8-(hydroxymethyl)-7-[4-(4-methoxyphenyl)phenyl]-4-[1-oxo-2-(2-pyridinyl)ethyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C27H27N3O4 (457.20014620000006)
4-[[(6R,7R,8S)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-4-yl]methyl]benzoic acid methyl ester
C27H27N3O4 (457.20014620000006)
4-[[(6R,7S,8R)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-4-yl]methyl]benzoic acid methyl ester
C27H27N3O4 (457.20014620000006)
4-[[(6R,7R,8R)-8-(hydroxymethyl)-2-oxo-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-4-yl]methyl]benzoic acid methyl ester
C27H27N3O4 (457.20014620000006)
8-(6-aminohexylamino)-2-O-methyl 3,5-cyclic AMP
C17H28N7O6P (457.18385980000005)
4-(4-Butoxy-2-methylbenzoyl)-5-pyridin-4-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
C27H27N3O4 (457.20014620000006)
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[(5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-17-yl)oxy]oxane-2-carboxylic acid
C23H27N3O7 (457.18489120000004)
Antibiotic OA 6129A
C20H31N3O7S (457.18826160000003)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D013845 - Thienamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
vindolinium(1+)
C25H33N2O6 (457.23384980000003)
A vinca alkaloid cation that is the conjugate acid of vindoline; major species at pH 7.3.
minocycline zwitterion
C23H27N3O7 (457.18489120000004)
A zwitterion obtained by transfer of a proton from the 2-hydroxy group to the 1-amino group of minocycline. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
(6R)-5,10-Methylenetetrahydrofolic acid
The (6R)-stereoisomer of 5,10-methylenetetrahydrofolic acid.
platensimycin A1
C24H27NO8 (457.17365820000003)
A polycyclic cage that is the 5-hydroxy derivative of platensimycin. It is isolated from Streptomyces platensis.
5-Methyltetrahydrofolate(2-)
A dicarboxylic acid dianion resulting from the deprotonation of the two carboxy groups of 5-methyltetrahydrofolic acid; major species at pH 7.3.
ethyl 4-[(1-{10-acetyl-11,13-dihydroxy-2,12-dimethyl-3,5-dioxo-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),6,9,11-tetraen-4-ylidene}ethyl)amino]butanoate
C24H27NO8 (457.17365820000003)
(2s)-2-[(4-{1-hydroxy-3-imino-4h,5h,6h,6ah,7h,9h-imidazo[1,5-f]pteridin-8-yl}phenyl)formamido]pentanedioic acid
(4s,4as,5ar,12as)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-4a,5,5a,6-tetrahydro-4h-tetracene-2-carboximidic acid
C23H27N3O7 (457.18489120000004)
(2s,3s,4r,5r)-3-{[(2s)-2-amino-1-hydroxy-3-(4-methoxyphenyl)propylidene]amino}-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid
(5as,6s,7ar,8r,9s,11as,11bs,12r)-6,9,12-trihydroxy-8-(hydroxymethyl)-5a,8,11a-trimethyl-3-(pyridin-3-yl)-6,7,7a,9,10,11,11b,12-octahydro-2,5-dioxatetraphen-1-one
5-[(2r,4s,5s,6r)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-4-hydroxy-17-methyl-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione
C24H27NO8 (457.17365820000003)