Exact Mass: 529.1947866
Exact Mass Matches: 529.1947866
Found 500 metabolites which its exact mass value is equals to given mass value 529.1947866,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
daunomycinol
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent The (13S)-diastereomer of 13-dihydrodaunorubicin. An aminoglycoside antibiotic that is (1S,3S)-3,5,12-trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene having a 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl residue attached at position 1 via a glycosidic linkage.
Nilotinib
Nilotinib, also known as AMN107, is a tyrosine kinase inhibitor under investigation as a possible treatment for chronic myelogenous leukemia (CML). In June 2006, a Phase I clinical trial found nilotinib has a relatively favorable safety profile and shows activity in cases of CML resistant to treatment with imatinib (Gleevec®), another tyrosine kinase inhibitor currently used as a first-line treatment. [Wikipedia] L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EA - Bcr-abl tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164037 - PDGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163999 - cKIT-targeting Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159198 - c-KIT Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor
Malformin
C23H39N5O5S2 (529.2392484000001)
Malformin is produced by Aspergillus niger. It is isolated from mould damaged ric
O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose
C20H35NO15 (529.2006600000001)
O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose is a milk oligosaccharide alditol derived from mucin glycoprotein detected with High-performance anion exchange-chromatography. (PMID: 1799211). This oligosaccharide alditol is also found in purified human bronchial mucins. (PMID: 1337867) This O-glycan is present in normal human mucins along the intestinal tract. (PMID: 15361072). O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose is a milk oligosaccharide alditol derived from mucin glycoprotein detected with High-performance anion exchange-chromatography. (PMID: 1799211)
Lewis X trisaccharide
C20H35NO15 (529.2006600000001)
Lewis X trisaccharide is a common oligosaccharide involved in the terminal glycosylation of oligosaccharide chains of glycoconjugates and as such play a major role in the antigenic properties of cell surfaces and in the changing carbohydrates profiles that occur on cell maturation and in malignancy. Lewis X present in human milk can bind to DC-specific ICAM3-grabbing non-integrin and thereby prevent the capture and subsequent transfer of HIV-1 to CD4+ T lymphocytes. The presence of such a DC-specific ICAM3-grabbing non-integrin-binding molecule in human milk may both influence antigenic presentation and interfere with pathogen transfer in breastfed infants. Lewis X is a promising urine marker for bladder cancer surveillance in urothelial cell carcinoma patients. (PMID: 11278542; 11300757; 15184372; 15242599; 15845541; 16239964; 16773661; 9490204, 16217395) [HMDB] Lewis X trisaccharide is a common oligosaccharide involved in the terminal glycosylation of oligosaccharide chains of glycoconjugates and as such play a major role in the antigenic properties of cell surfaces and in the changing carbohydrates profiles that occur on cell maturation and in malignancy. Lewis X present in human milk can bind to DC-specific ICAM3-grabbing non-integrin and thereby prevent the capture and subsequent transfer of HIV-1 to CD4+ T lymphocytes. The presence of such a DC-specific ICAM3-grabbing non-integrin-binding molecule in human milk may both influence antigenic presentation and interfere with pathogen transfer in breastfed infants. Lewis X is a promising urine marker for bladder cancer surveillance in urothelial cell carcinoma patients. (PMID: 11278542; 11300757; 15184372; 15242599; 15845541; 16239964; 16773661; 9490204, 16217395).
Lewis a trisaccharide
C20H35NO15 (529.2006600000001)
Lewis a trisaccharide is a fucosyloligosaccharide present in human milk and colostrum. Human colostrum is known to be important for the protection of infants against infection by pathogenic microorganisms. This protection is thought to be due, partially, to various neutral and acidic oligosaccharides that are present in colostrum and milk. Moderate-to-severe diarrhea of all causes occurs less often in infants whose milk contains high levels of total 2-linked fucosyloligosaccharides as a percent of milk oligosaccharide. The trisaccharide Lewis a trisaccharide is identical with the structure for the specific determinant in Lea substance, and strongly inhibits the agglutination of Lea erythrocytes by a human anti-Lea serum. (PMID: 15343178, 17375110, 12568665, 2503806; 3809884; 6809837; 6880139; 7701811; 8662894; 8914840; 8943285) [HMDB] Lewis a trisaccharide is a fucosyloligosaccharide present in human milk and colostrum. Human colostrum is known to be important for the protection of infants against infection by pathogenic microorganisms. This protection is thought to be due, partially, to various neutral and acidic oligosaccharides that are present in colostrum and milk. Moderate-to-severe diarrhea of all causes occurs less often in infants whose milk contains high levels of total 2-linked fucosyloligosaccharides as a percent of milk oligosaccharide. The trisaccharide Lewis a trisaccharide is identical with the structure for the specific determinant in Lea substance, and strongly inhibits the agglutination of Lea erythrocytes by a human anti-Lea serum. (PMID: 15343178, 17375110, 12568665, 2503806; 3809884; 6809837; 6880139; 7701811; 8662894; 8914840; 8943285).
Gluten exorphin B4
C24H27N5O9 (529.1808692000001)
Gluten exorphin B4 is a tetrapeptide with the sequence Tyr-Gly-Gly-Trp. Gluten exorphins are a group of opioid peptides which are formed during digestion of the gluten protein. It has been hypothesized that people with autism and schizophrenia have abnormal leakage from the gut of these compounds, which then pass into the brain and disrupt brain function. This is partly the basis for the gluten-free, casein-free diet. The scientific evidence for this diet and its effects is still disputed.
Bosutinib
Bosutinib is a Bcr-Abl kinase inhibitor for the treatment of Philadelphia chromosome-positive (Ph+) chronic myelogenous leukemia (CML). Compared to other tyrosine kinase inhibitors, it has a more favourable hematologic toxicity profile. FDA approved on September 4, 2012 (DB06616). L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EA - Bcr-abl tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
13-Dihydrodaunorubicin
5,12-Naphthacenedione, 10-((4-aminotetrahydro-6-methyl-2H-pyran-2-yl)oxy)-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-
alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-D-Galp
C20H35NO15 (529.2006600000001)
a-Trisaccharide
C20H35NO15 (529.2006600000001)
Galbeta1-3(Fucalpha1-4)GlcNAcbeta
C20H35NO15 (529.2006600000001)
Globo-H
C20H35NO15 (529.2006600000001)
H Type II trisaccharide
C20H35NO15 (529.2006600000001)
Pegnivacogin
C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent
N-((2'R)-2'-Deoxy-2'-fluoro-2'-methyl-p-phenyl-5'-uridylyl)-L-alanine 1-methylethyl ester
3-[4-[2-[[6-Amino-9-[(2R,3R,4S,5S)-5-[[ethyl(formyl)amino]-hydroxymethyl]-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid
Kapporphin
Derived from the kappa-chain of immunoglobulin
Komodoquinone A
An anthracycline that is komodoquinone B in which the hydroxy group at position 1 is replaced by a 3,6-dideoxy-3-(dimethylamino)-alpha-L-galactopyranoside group. First isolated from the marine bacterium Streptomyces sp. KS3, it induces neuronal cell differentiation in the neuroblastoma cell line.
2-(7-methyl-2,4-dioxo-10-D-ribitol-1-yl-2,3,4,10-tetrahydro-benzo[g]pteridin-8-ylmethyl)-histidine|SD-Riboflavin (8-alpha-(N-Histidyl)-Riboflavin)
(Z)-N6-(5-(3-((1-carboxy-2-(4-hydroxyphenyl)ethyl)amino)-2-methoxy-3-oxoprop-1-en-1-yl)-2-hydroxybenzoyl)lysine
3-(8-methyl-2,4-dioxo-10-D-ribitol-1-yl-2,3,4,10-tetrahydro-benzo[g]pteridin-7-ylmethyl)-histidine|8alpha-(N1-His)Riboflavin|8alpha-[5-(2-amino-2-carboxy-ethyl)-imidazol-1-yl]-riboflavin
Nilotinib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EA - Bcr-abl tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164037 - PDGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163999 - cKIT-targeting Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159198 - c-KIT Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 3588
(1S,4S,7R,10S,13S)-7,10-di(butan-2-yl)-4-propan-2-yl-15,16-dithia-3,6,9,12,18-pentazabicyclo[11.4.2]nonadecane-2,5,8,11,19-pentone
C23H39N5O5S2 (529.2392484000001)
(1S,4S,7R,10S,13S)-7,10-di(butan-2-yl)-4-propan-2-yl-15,16-dithia-3,6,9,12,18-pentazabicyclo[11.4.2]nonadecane-2,5,8,11,19-pentone [IIN-based: Match]
C23H39N5O5S2 (529.2392484000001)
(1S,4S,7R,10S,13S)-7,10-di(butan-2-yl)-4-propan-2-yl-15,16-dithia-3,6,9,12,18-pentazabicyclo[11.4.2]nonadecane-2,5,8,11,19-pentone [IIN-based on: CCMSLIB00000848487]
C23H39N5O5S2 (529.2392484000001)
Ala Asn Tyr Tyr
Ala Tyr Asn Tyr
Ala Tyr Tyr Asn
Cys Asp His Arg
Cys Asp Arg His
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Cys His Asp Arg
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Cys Asn Met Tyr
Cys Asn Tyr Met
Cys Arg Asp His
Cys Arg His Asp
Cys Tyr Met Asn
Cys Tyr Asn Met
Asp Cys His Arg
Asp Cys Arg His
Asp His Cys Arg
Asp His Lys Met
Asp His Met Lys
Asp His Met Gln
Asp His Gln Met
Asp His Arg Cys
Asp Lys His Met
Asp Lys Met His
Asp Met His Lys
Asp Met His Gln
Asp Met Lys His
Asp Met Gln His
Asp Gln His Met
Asp Gln Met His
Asp Arg Cys His
Asp Arg His Cys
Glu His Met Asn
Glu His Asn Met
Glu Met His Asn
Glu Met Asn His
Glu Asn His Met
Glu Asn Met His
Phe Cys Phe Asn
Phe Cys Asn Phe
Phe Phe Cys Asn
Phe Phe Asn Cys
Phe Asn Cys Phe
Phe Asn Phe Cys
Phe Asn Ser Tyr
Phe Asn Tyr Ser
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Phe Ser Tyr Asn
Phe Tyr Asn Ser
Phe Tyr Ser Asn
Gly His Met Trp
Gly His Trp Met
Gly Met His Trp
Gly Met Trp His
Gly Gln Tyr Tyr
Gly Trp His Met
Gly Trp Met His
Gly Tyr Gln Tyr
Gly Tyr Tyr Gln
His Cys Asp Arg
His Cys Arg Asp
His Asp Cys Arg
His Asp Lys Met
His Asp Met Lys
His Asp Met Gln
His Asp Gln Met
His Asp Arg Cys
His Glu Met Asn
His Glu Asn Met
His Gly Met Trp
His Gly Trp Met
His Lys Asp Met
His Lys Met Asp
His Met Asp Lys
His Met Asp Gln
His Met Glu Asn
His Met Gly Trp
His Met Lys Asp
His Met Asn Glu
His Met Gln Asp
His Met Arg Ser
His Met Trp Gly
His Asn Glu Met
His Asn Met Glu
His Asn Pro Tyr
His Asn Tyr Pro
His Pro Asn Tyr
His Pro Tyr Asn
His Gln Asp Met
His Gln Met Asp
His Arg Cys Asp
His Arg Asp Cys
His Ser Thr Trp
His Ser Trp Thr
His Thr Ser Trp
His Thr Trp Ser
His Trp Gly Met
His Trp Met Gly
His Trp Ser Thr
His Trp Thr Ser
His Tyr Asn Pro
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Lys Asp His Met
Lys Asp Met His
Lys His Asp Met
Lys His Met Asp
Lys Met Asp His
Lys Met His Asp
Met Cys Asn Tyr
Met Cys Tyr Asn
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Met Asp Lys His
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Met Glu Asn His
Met Gly His Trp
Met Gly Trp His
Met His Asp Lys
Met His Asp Gln
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Met His Gly Trp
Met His Lys Asp
Met His Asn Glu
Met His Gln Asp
Met His Trp Gly
Met Lys Asp His
Met Lys His Asp
Met Asn Cys Tyr
Met Asn Glu His
Met Asn His Glu
Met Asn Tyr Cys
Met Pro Pro Trp
C26H35N5O5S (529.2358780000001)
Met Pro Trp Pro
C26H35N5O5S (529.2358780000001)
Met Gln Asp His
Met Gln His Asp
Met Trp Gly His
Met Trp His Gly
Met Trp Pro Pro
C26H35N5O5S (529.2358780000001)
Met Tyr Cys Asn
Met Tyr Asn Cys
Asn Ala Tyr Tyr
Asn Cys Phe Phe
Asn Cys Met Tyr
Asn Cys Tyr Met
Asn Glu His Met
Asn Glu Met His
Asn Phe Cys Phe
Asn Phe Phe Cys
Asn Phe Ser Tyr
Asn Phe Tyr Ser
Asn His Glu Met
Asn His Met Glu
Asn His Pro Tyr
Asn His Tyr Pro
Asn Met Cys Tyr
Asn Met Glu His
Asn Met His Glu
Asn Met Tyr Cys
Asn Asn Pro Trp
Asn Asn Trp Pro
Asn Pro His Tyr
Asn Pro Asn Trp
Asn Pro Trp Asn
Asn Pro Tyr His
Asn Ser Phe Tyr
Asn Ser Tyr Phe
Asn Trp Asn Pro
Asn Trp Pro Asn
Asn Tyr Ala Tyr
Asn Tyr Cys Met
Asn Tyr Phe Ser
Asn Tyr His Pro
Asn Tyr Met Cys
Asn Tyr Pro His
Asn Tyr Ser Phe
Asn Tyr Tyr Ala
Pro His Asn Tyr
Pro His Tyr Asn
Pro Met Pro Trp
C26H35N5O5S (529.2358780000001)
Pro Met Trp Pro
C26H35N5O5S (529.2358780000001)
Pro Asn His Tyr
Pro Asn Asn Trp
Pro Asn Trp Asn
Pro Asn Tyr His
Pro Pro Met Trp
C26H35N5O5S (529.2358780000001)
Pro Pro Trp Met
C26H35N5O5S (529.2358780000001)
Pro Trp Met Pro
C26H35N5O5S (529.2358780000001)
Pro Trp Asn Asn
Pro Trp Pro Met
C26H35N5O5S (529.2358780000001)
Pro Tyr His Asn
Pro Tyr Asn His
Gln Asp His Met
Gln Asp Met His
Gln Gly Tyr Tyr
Gln His Asp Met
Gln His Met Asp
Gln Met Asp His
Gln Met His Asp
Gln Tyr Gly Tyr
Gln Tyr Tyr Gly
Arg Cys Asp His
Arg Cys His Asp
Arg Asp Cys His
Arg Asp His Cys
Arg His Cys Asp
Arg His Asp Cys
Ser Phe Asn Tyr
Ser Phe Tyr Asn
Ser His Thr Trp
Ser His Trp Thr
Ser Asn Phe Tyr
Ser Asn Tyr Phe
Ser Thr His Trp
Ser Thr Trp His
Ser Trp His Thr
Ser Trp Thr His
Ser Tyr Phe Asn
Ser Tyr Asn Phe
Thr His Ser Trp
Thr His Trp Ser
Thr Ser His Trp
Thr Ser Trp His
Thr Trp His Ser
Thr Trp Ser His
Trp Gly His Met
Trp Gly Met His
Trp His Gly Met
Trp His Met Gly
Trp His Ser Thr
Trp His Thr Ser
Trp Met Gly His
Trp Met His Gly
Trp Met Pro Pro
C26H35N5O5S (529.2358780000001)
Trp Asn Asn Pro
Trp Asn Pro Asn
Trp Pro Met Pro
C26H35N5O5S (529.2358780000001)
Trp Pro Asn Asn
Trp Pro Pro Met
C26H35N5O5S (529.2358780000001)
Trp Ser His Thr
Trp Ser Thr His
Trp Thr His Ser
Trp Thr Ser His
Tyr Ala Asn Tyr
Tyr Ala Tyr Asn
Tyr Cys Met Asn
Tyr Cys Asn Met
Tyr Phe Asn Ser
Tyr Phe Ser Asn
Tyr Gly Gln Tyr
Tyr Gly Tyr Gln
Tyr His Asn Pro
Tyr His Pro Asn
Tyr Met Cys Asn
Tyr Met Asn Cys
Tyr Asn Ala Tyr
Tyr Asn Cys Met
Tyr Asn Phe Ser
Tyr Asn His Pro
Tyr Asn Met Cys
Tyr Asn Pro His
Tyr Asn Ser Phe
Tyr Asn Tyr Ala
Tyr Pro His Asn
Tyr Pro Asn His
Tyr Gln Gly Tyr
Tyr Gln Tyr Gly
Tyr Ser Phe Asn
Tyr Ser Asn Phe
Tyr Tyr Ala Asn
Tyr Tyr Gly Gln
Tyr Tyr Asn Ala
Tyr Tyr Gln Gly
O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose
C20H35NO15 (529.2006600000001)
Lewis X
C20H35NO15 (529.2006600000001)
Lea tri
C20H35NO15 (529.2006600000001)
Malformin
C23H39N5O5S2 (529.2392484000001)
Malformin-B4
C23H39N5O5S2 (529.2392484000001)
Sofosbuvir
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AP - Antivirals for treatment of hcv infections COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C25995 - RNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Sofosbuvir (GS-7977) is an HCV RNA replication inhibitor with an EC50 of 92 nM[1].
7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione,2-(7-hydroxy-4-methyl-2-oxochromen-6-yl)oxyacetic acid
(+)-(3r,4r)-bis(diphenylphosphino)-1-benzylpyrrolidine
Dasatinib Carboxylic Acid Ethyl Ester
C24H28ClN7O3S (529.1662768000001)
ezatiostat
C471 - Enzyme Inhibitor > C2137 - Glutathione Transferase Inhibitor Ezatiostat (TER199 free base; TLK199) is a tripeptide analog of glutathione and is a selective and orally active glutathione S-transferase P1-1 (GSTP1) inhibitor. Ezatiostat leads to JNK activation by inhibiting GSTP1. Ezatiostat stimulates both lymphocyte production and bone marrow progenitor proliferation. Ezatiostat has the potential for myelodysplastic syndrome (MDS) treatment[1][2].
5-O-(isopropyl-L-alanate,phenyl-phosphoramidyl)-2-deoxy-2-fluoro-2-C-methyl-uridine
(Z)-2-(2-Boc-aminothiazole-4-yl-)-2-trityloxyiminoacetic acid
C29H27N3O5S (529.1671332000001)
N-[[P(S),2R]-2-Deoxy-2-fluoro-2-methyl-P-phenyl-3-uridylyl]-L-alanine 1-methylethyl ester
4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxy-6-(2-hydroxy-5-oxopyrrolidin-1-yl)quinoline-3-carbonitrile
O-6-Deoxy-beta-L-galactopyranosyl-(1-2)-O-beta-D-galactopyranosyl-(1-3)-2-(acetylamino)-2-deoxy-D-glucose
C20H35NO15 (529.2006600000001)
Type 2 blood-group H trisaccharide
C20H35NO15 (529.2006600000001)
13-Deoxydoxorubicin
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
Vecabrutinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163774 - BTK-targeting Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
6-deoxy-alpha-L-galactopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranose
C20H35NO15 (529.2006600000001)
bosutinib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EA - Bcr-abl tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-D-Galp
C20H35NO15 (529.2006600000001)
alpha-[4-[(S)-2-Amino-2-carboxyethyl]-1H-imidazol-1-yl]riboflavin
2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R,2R)-2-methoxy-1-[[(2S)-1-methylpyrrolidin-1-ium-2-carbonyl]amino]propyl]oxan-2-yl]sulfanylethyl 2-hydroxybenzoate
3-[4-[2-[[6-Amino-9-[(2R,3R,4S,5S)-5-[[ethyl(formyl)amino]-hydroxymethyl]-3,4-dihydroxyoxolan-2-yl]purin-2-yl]amino]ethyl]phenyl]propanoic acid
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[4,5,6-trihydroxy-1-oxo-2-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexan-3-yl]oxyoxan-3-yl]acetamide
C20H35NO15 (529.2006600000001)
NSC 23766 trihydrochloride
NSC 23766 trihydrochloride is an inhibitor of Rac1 activation.
Lonijaposide J
C24H32ClNO10 (529.1714642000001)
A natural product found in Lonicera japonica.
alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-D-GalpNAc
C20H35NO15 (529.2006600000001)
alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosamine
C20H35NO15 (529.2006600000001)
3-Phenylpropanoic acid [3-(4-cyanophenyl)-7-methyl-6,8-dioxo-2-[2-(2-pyridinyl)ethyl]-7-isoquinolinyl] ester
C33H27N3O4 (529.2001462000001)
N-[[(8R,9R)-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-2-naphthalenesulfonamide
C26H35N5O5S (529.2358780000001)
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-2-naphthalenesulfonamide
C26H35N5O5S (529.2358780000001)
N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-2-naphthalenesulfonamide
C26H35N5O5S (529.2358780000001)
N-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-2-naphthalenesulfonamide
C26H35N5O5S (529.2358780000001)
N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-2-naphthalenesulfonamide
C26H35N5O5S (529.2358780000001)
N-[[(8S,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-2-naphthalenesulfonamide
C26H35N5O5S (529.2358780000001)
N-[[(8S,9R)-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-2-naphthalenesulfonamide
C26H35N5O5S (529.2358780000001)
N-[[(8R,9S)-6-[(2S)-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-2-naphthalenesulfonamide
C26H35N5O5S (529.2358780000001)
N-[[(8R,9R)-6-[(2S)-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-2-naphthalenesulfonamide
C26H35N5O5S (529.2358780000001)
N-[[(8S,9S)-6-[(2S)-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-2-naphthalenesulfonamide
C26H35N5O5S (529.2358780000001)
N-[[(8S,9R)-6-[(2S)-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-2-naphthalenesulfonamide
C26H35N5O5S (529.2358780000001)
N-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-2-naphthalenesulfonamide
C26H35N5O5S (529.2358780000001)
N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
N-[(2S,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
C20H35NO15 (529.2006600000001)
N-[(2S,3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
C20H35NO15 (529.2006600000001)
alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-3-deoxy-N-acetyl-D-glucosamine
C20H35NO15 (529.2006600000001)
alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-6-deoxy-N-acetyl-D-glucosamine
C20H35NO15 (529.2006600000001)
3-deoxy-alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-NHAc
C20H35NO15 (529.2006600000001)
6-deoxy-alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosylamine
C20H35NO15 (529.2006600000001)
4-deoxy-alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-NHAc
C20H35NO15 (529.2006600000001)
beta-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp
C20H35NO15 (529.2006600000001)
N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-2-naphthalenesulfonamide
C26H35N5O5S (529.2358780000001)
N-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-2-naphthalenesulfonamide
C26H35N5O5S (529.2358780000001)
N-[(2S,4aR,12aR)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide
C27H29F2N3O6 (529.2024318000001)
N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
N-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
N-[(2R,4aR,12aR)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide
C27H29F2N3O6 (529.2024318000001)
N-[(2S,4aS,12aR)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide
C27H29F2N3O6 (529.2024318000001)
N-[(2S,4aR,12aS)-5-methyl-2-(2-morpholin-4-yl-2-oxoethyl)-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide
C27H29F2N3O6 (529.2024318000001)
N-[(2S,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2S,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2R,4aS,12aR)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide
C27H29F2N3O6 (529.2024318000001)
N-[(2S,4aS,12aS)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide
C27H29F2N3O6 (529.2024318000001)
(1S)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-N1-phenylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]-1,2-dicarboxamide
[(1R)-1-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]-(3-fluorophenyl)methanone
(1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-[oxo(3-pyridinyl)methyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide
N-[(2R,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2R,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2R,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-2-naphthalenesulfonamide
C26H35N5O5S (529.2358780000001)
N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-2-naphthalenesulfonamide
C26H35N5O5S (529.2358780000001)
N-[(2S,3S)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2R,3R)-2-[[benzenesulfonyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2R,4aR,12aS)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide
C27H29F2N3O6 (529.2024318000001)
N-[(2R,4aS,12aS)-5-methyl-2-[2-(4-morpholinyl)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide
C27H29F2N3O6 (529.2024318000001)
[(1S)-1-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]-(3-fluorophenyl)methanone
(1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1-[oxo(3-pyridinyl)methyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]carboxamide
methyl 3-({2-[(2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl)oxy]ethyl}sulfanyl)propanoate
A tripartite compound comprising an alpha-D-Gal unit linked to beta-D-GlcNAc, which is in turn linked to a CETE (2-[(2-carbomethoxyethylthio)]ethyl; 2-{[2-(methoxycarbonyl)ethylsulfanyl]}ethyl) moiety.
6-deoxy-L-galacto-hexopyranosyl-(1->2)-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galacto-hexopyranose
C20H35NO15 (529.2006600000001)
6-deoxy-L-galacto-hexopyranosyl-(1->2)-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
C20H35NO15 (529.2006600000001)
Ipatasertib (dihydrochloride)
Ipatasertib dihydrochloride (GDC-0068 dihydrochloride) is a highly selective and ATP-competitive pan-Akt inhibitor with IC50s of 5, 18 and 8 nM for Akt1, Akt2 and Akt3, respectively.
JNJ-18038683
JNJ-18038683 is a 5-Hydroxytryptamine Type 7 (5-HT7) receptor antagonist, with pKis of 8.19, 8.20 for rat and human 5-HT7 in HEK293 cells, respectively.
(1s,2r,3ar)-9b-hydroxy-1-methoxy-n3a-[(4s)-1-methoxy-7-methyl-1,5-dioxooct-6-en-4-yl]-n2,3-dimethyl-4-oxo-1h,2h,5h-benzo[e]indole-2,3a-dicarboximidic acid
C27H35N3O8 (529.2424030000001)
(1r,2r,4s)-4-{[(2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-2,5,7,12-tetrahydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylic acid
C26H27NO11 (529.1584032000001)
12-(3,4-dimethoxyphenyl)-7-hydroxy-8,16,17-trimethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14,16,18-octaen-3-one
1,6-dihydroxy-3,5-dimethoxy-4-[(1s)-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbut-2-en-1-yl]-10h-acridin-9-one
4-{1'-acetyl-9'-hydroxy-3'-oxo-9'ah-spiro[cyclopropane-1,2'-imidazo[1,2-a]indol]-9'-ylmethyl}-1-hydroxy-1,2-dimethyl-4h-pyrazino[2,1-b]quinazoline-3,6-dione
10-isopropyl-4,7-bis(sec-butyl)-15,16-dithia-2,5,8,11,19-pentaazabicyclo[11.4.2]nonadeca-2,5,8,11,18-pentaene-3,6,9,12,18-pentol
C23H39N5O5S2 (529.2392484000001)