Exact Mass: 501.1787
Exact Mass Matches: 501.1787
Found 396 metabolites which its exact mass value is equals to given mass value 501.1787
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bacampicillin hydrochloride
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
D-Glucosaminide
D-Glucosaminide is an intermediate in the Human Aminosugars metabolism, the substrate of the enzyme di-N-acetyl-chitobiase [EC:3.2.1.-], from the Glycosidases class (i.e.: enzymes hydrolyzing O- and S-glycosyl compounds). (KEGG) [HMDB] D-Glucosaminide is an intermediate in the Human Aminosugars metabolism, the substrate of the enzyme di-N-acetyl-chitobiase [EC:3.2.1.-], from the Glycosidases class (i.e.: enzymes hydrolyzing O- and S-glycosyl compounds). (KEGG).
Chitotriose
Chitotriose is an enzyme inhibitor. Chitotriose caused a strong reduction in the inhibitory effects of human lysozymes. (PMID: 2911608). Of several sugars and amino sugars tested, chitotriose caused greater than 90\\% inhibition of adherence to S-HA(Saliva supernatant protein). Chitotriose is an enzyme inhibitor. Chitotriose caused a strong reduction in the inhibitory effects of human lysozymes. (PMID: 2911608)
Adefovir Dipivoxil
Adefovir Dipivoxil is only found in individuals that have used or taken this drug.Adefovir dipivoxil, previously called bis-POM PMEA, with trade names Preveon and Hepsera, is an orally-administered nucleotide analog reverse transcriptase inhibitor (ntRTI) used for treatment of hepatitis B. It is a failed treatment for HIV. [Wikipedia]Adefovir dipivoxil is a prodrug of adefovir. Adefovir is an acyclic nucleotide analog of adenosine monophosphate which is phosphorylated to the active metabolite adefovir diphosphate by cellular kinases. Adefovir diphosphate inhibits HBV DNA polymerase (reverse transcriptase) by competing with the natural substrate deoxyadenosine triphosphate and by causing DNA chain termination after its incorporation into viral DNA. The inhibition constant (Ki) for adefovir diphosphate for HBV DNA polymerase was 0.1 μM. Adefovir diphosphate is a weak inhibitor of human DNA polymerases alpha and gamma with Ki values of 1.18 μM and 0.97μM, respectively. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent Adefovir dipivoxil, an adenosine analogue, is an oral proagent of the nucleoside reverse transcriptase inhibitor Adefovir. Adefovir dipivoxil inhibits both the wild type and HBV Lamivudine-resistant strains[1][2]. Adefovir dipivoxil shows anti-orthopoxvirus activity.
Cabozantinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164000 - c-Met-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159438 - RET Inhibitor
Monohydroxydiacetyltaxine
alpha-L-Rhap-(1?3)-beta-D-GalpNAc-(1?1)-ribitol|OS I
Adefovir Dipivoxil
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent Adefovir dipivoxil, an adenosine analogue, is an oral proagent of the nucleoside reverse transcriptase inhibitor Adefovir. Adefovir dipivoxil inhibits both the wild type and HBV Lamivudine-resistant strains[1][2]. Adefovir dipivoxil shows anti-orthopoxvirus activity.
2-[[(E)-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoyl]amino]pentanedioic acid
Ala Glu Pro Trp
Ala Glu Trp Pro
Ala Pro Glu Trp
Ala Pro Trp Glu
Ala Trp Glu Pro
Ala Trp Pro Glu
Cys Cys Asn Tyr
Cys Cys Tyr Asn
Cys Asp His Lys
Cys Asp His Gln
Cys Asp Lys His
Cys Asp Gln His
Cys Glu His Asn
Cys Glu Asn His
Cys Gly His Trp
Cys Gly Trp His
Cys His Asp Lys
Cys His Asp Gln
Cys His Glu Asn
Cys His Gly Trp
Cys His Lys Asp
Cys His Asn Glu
Cys His Gln Asp
Cys His Arg Ser
Cys His Ser Arg
Cys His Trp Gly
Cys Lys Asp His
Cys Lys His Asp
Cys Asn Cys Tyr
Cys Asn Glu His
Cys Asn His Glu
Cys Asn Tyr Cys
Cys Pro Pro Trp
Cys Pro Trp Pro
Cys Gln Asp His
Cys Gln His Asp
Cys Arg His Ser
Cys Arg Ser His
Cys Ser His Arg
Cys Ser Arg His
Cys Trp Gly His
Cys Trp His Gly
Cys Trp Pro Pro
Cys Tyr Cys Asn
Cys Tyr Asn Cys
Asp Cys His Lys
Asp Cys His Gln
Asp Cys Lys His
Asp Cys Gln His
Asp Asp Pro Arg
Asp Asp Arg Pro
Asp His Cys Lys
Asp His Cys Gln
Asp His Lys Cys
Asp His Gln Cys
Asp Lys Cys His
Asp Lys His Cys
Asp Pro Asp Arg
Asp Pro Arg Asp
Asp Gln Cys His
Asp Gln His Cys
Asp Arg Asp Pro
Asp Arg Pro Asp
Glu Ala Pro Trp
Glu Ala Trp Pro
Glu Cys His Asn
Glu Cys Asn His
Glu Glu Pro Gln
Glu Glu Gln Pro
Glu His Cys Asn
Glu His Asn Cys
Glu Asn Cys His
Glu Asn His Cys
Glu Pro Ala Trp
Glu Pro Glu Gln
Glu Pro Gln Glu
Glu Pro Trp Ala
Glu Gln Glu Pro
Glu Gln Pro Glu
Glu Trp Ala Pro
Glu Trp Pro Ala
Gly Cys His Trp
Gly Cys Trp His
Gly His Cys Trp
Gly His Trp Cys
Gly Trp Cys His
Gly Trp His Cys
His Cys Asp Lys
His Cys Asp Gln
His Cys Glu Asn
His Cys Gly Trp
His Cys Lys Asp
His Cys Asn Glu
His Cys Gln Asp
His Cys Arg Ser
His Cys Ser Arg
His Cys Trp Gly
His Asp Cys Lys
His Asp Cys Gln
His Asp Lys Cys
His Asp Gln Cys
His Glu Cys Asn
His Glu Asn Cys
His Gly Cys Trp
His Gly Trp Cys
His Lys Cys Asp
His Lys Asp Cys
His Met Asn Thr
His Met Gln Ser
His Met Ser Gln
His Met Thr Asn
His Asn Cys Glu
His Asn Glu Cys
His Asn Met Thr
His Asn Thr Met
His Gln Cys Asp
His Gln Asp Cys
His Gln Met Ser
His Gln Ser Met
His Arg Cys Ser
His Arg Ser Cys
His Ser Cys Arg
His Ser Met Gln
His Ser Gln Met
His Ser Arg Cys
His Thr Met Asn
His Thr Asn Met
His Trp Cys Gly
His Trp Gly Cys
Lys Cys Asp His
Lys Cys His Asp
Lys Asp Cys His
Lys Asp His Cys
Lys His Cys Asp
Lys His Asp Cys
Met His Asn Thr
Met His Gln Ser
Met His Ser Gln
Met His Thr Asn
Met Asn His Thr
Met Asn Thr His
Met Gln His Ser
Met Gln Ser His
Met Ser His Gln
Met Ser Gln His
Met Thr His Asn
Met Thr Asn His
Asn Cys Cys Tyr
Asn Cys Glu His
Asn Cys His Glu
Asn Cys Tyr Cys
Asn Glu Cys His
Asn Glu His Cys
Asn His Cys Glu
Asn His Glu Cys
Asn His Met Thr
Asn His Thr Met
Asn Met His Thr
Asn Met Thr His
Asn Thr His Met
Asn Thr Met His
Asn Tyr Cys Cys
Pro Ala Glu Trp
Pro Ala Trp Glu
Pro Cys Pro Trp
Pro Cys Trp Pro
Pro Asp Asp Arg
Pro Asp Arg Asp
Pro Glu Ala Trp
Pro Glu Glu Gln
Pro Glu Gln Glu
Pro Glu Trp Ala
Pro Pro Cys Trp
Pro Pro Trp Cys
Pro Gln Glu Glu
Pro Arg Asp Asp
Pro Trp Ala Glu
Pro Trp Cys Pro
Pro Trp Glu Ala
Pro Trp Pro Cys
Gln Cys Asp His
Gln Cys His Asp
Gln Asp Cys His
Gln Asp His Cys
Gln Glu Glu Pro
Gln Glu Pro Glu
Gln His Cys Asp
Gln His Asp Cys
Gln His Met Ser
Gln His Ser Met
Gln Met His Ser
Gln Met Ser His
Gln Pro Glu Glu
Gln Ser His Met
Gln Ser Met His
Arg Cys His Ser
Arg Cys Ser His
Arg Asp Asp Pro
Arg Asp Pro Asp
Arg His Cys Ser
Arg His Ser Cys
Arg Pro Asp Asp
Arg Ser Cys His
Arg Ser His Cys
Ser Cys His Arg
Ser Cys Arg His
Ser His Cys Arg
Ser His Met Gln
Ser His Gln Met
Ser His Arg Cys
Ser Met His Gln
Ser Met Gln His
Ser Gln His Met
Ser Gln Met His
Ser Arg Cys His
Ser Arg His Cys
Thr His Met Asn
Thr His Asn Met
Thr Met His Asn
Thr Met Asn His
Thr Asn His Met
Thr Asn Met His
Trp Ala Glu Pro
Trp Ala Pro Glu
Trp Cys Gly His
Trp Cys His Gly
Trp Cys Pro Pro
Trp Glu Ala Pro
Trp Glu Pro Ala
Trp Gly Cys His
Trp Gly His Cys
Trp His Cys Gly
Trp His Gly Cys
Trp Pro Ala Glu
Trp Pro Cys Pro
Trp Pro Glu Ala
Trp Pro Pro Cys
Tyr Cys Cys Asn
Tyr Cys Asn Cys
Tyr Asn Cys Cys
Chitotriose
An amino trisaccharide comprising of three 2-amino-2-deoxy-D-glucopyranose units joined by beta-(1->4) linkages.
GS-840
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AF - Nucleoside and nucleotide reverse transcriptase inhibitors C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97452 - Nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent Adefovir dipivoxil, an adenosine analogue, is an oral proagent of the nucleoside reverse transcriptase inhibitor Adefovir. Adefovir dipivoxil inhibits both the wild type and HBV Lamivudine-resistant strains[1][2]. Adefovir dipivoxil shows anti-orthopoxvirus activity.
2-[3-chloro-4-[(2-cyano-4-nitrophenyl)diazenyl]-N-(2-propanoyloxyethyl)anilino]ethyl propanoate
2-N,2-N,7-N,7-N-tetraphenyl-9H-carbazole-2,7-diamine
2,2-[[3-carbamoyl-4-[(2-methoxy-4-nitrophenyl)azo]phenyl]imino]diethyl diacetate
2-(1-(ethylsulfonyl)-3-(4-(7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)azetidin-3-yl)acetonitrile
Benzamide, 2-[[2-[[2-methoxy-4-(4-morpholinyl)phenyl]amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methyl-
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
5-Pyrimidineacetic acid, 4,6-bis(dimethylamino)-2-((4-((4-(trifluoromethyl)benzoyl)amino)phenyl)methyl)-
Anthra(1,9-cd)pyrazol-6(2H)-one, 7,10-dihydroxy-2-(2-((2-hydroxyethyl)amino)ethyl)-5-((2-(methylamino)ethyl)amino)-, dihydrochloride, monohydrate
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
(3s)-6-(3-Tert-Butyl-5-{[(2,3-Dichlorophenyl)carbamoyl]amino}-1h-Pyrazol-1-Yl)-1,2,3,4-Tetrahydroisoquinoline-3-Carboxylic Acid
L-Gamma-Glutamyl-S-[(9s,10s)-10-Hydroxy-9,10-Dihydrophenanthren-9-Yl]-L-Cysteinylglycine
(9R,10R)-9-(S-Glutathionyl)-10-hydroxy-9,10-dihydrophenanthrene
Cabozantinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164000 - c-Met-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159438 - RET Inhibitor
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(2R)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
2-amino-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-amino-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-amino-2-deoxy-D-glucopyranose
N-[(3-methyl-1-phenyl-5-pyrrolidino-pyrazol-4-yl)methyleneamino]-2-(3-pyridyl)cinchoninamide
[4-[2-(3-Chlorophenyl)-5-(3-fluorophenyl)-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-(3-furanyl)methanone
N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[2-(3-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
1-[(ethoxycarbonyl)oxy]ethyl 6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylate hydrochloride
3-(4-Morpholinyl)-5-[2-[4-[3-(3-pyridinyl)-1,2,4-triazol-1-yl]anilino]-4-pyrimidinyl]benzonitrile
N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[2-(3-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[2-(3-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[2-(3-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[2-(3-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[2-(3-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
N-[(3,5-difluorophenyl)methyl]-2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-pyridin-4-ylacetyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
(3R,6aR,8R,10aR)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3R,6aR,8R,10aR)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3S,6aR,8R,10aR)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3R,6aS,8S,10aS)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3S,6aR,8S,10aR)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3R,6aS,8S,10aS)-N-(4-fluorophenyl)-3-hydroxy-8-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3R,6aR,8R,10aR)-N-(4-fluorophenyl)-3-hydroxy-8-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3R,6aS,8R,10aS)-N-(4-fluorophenyl)-3-hydroxy-8-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(pyridine-3-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
N-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[2-(3-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[2-(3-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
N-[(3,5-difluorophenyl)methyl]-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-pyridin-4-ylacetyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-pyridin-4-ylacetyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
(3R,6aS,8S,10aS)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3R,6aS,8R,10aS)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3R,6aR,8S,10aR)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3S,6aS,8R,10aS)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3S,6aS,8S,10aS)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3S,6aS,8R,10aS)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3R,6aR,8S,10aR)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3S,6aS,8R,10aS)-N-(4-fluorophenyl)-3-hydroxy-8-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3S,6aR,8R,10aR)-N-(4-fluorophenyl)-3-hydroxy-8-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(pyridine-3-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
(3R,6aS,8S,10aS)-N-(3,5-dichlorophenyl)-3-hydroxy-8-(2-morpholin-4-yl-2-oxoethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3R,6aR,8S,10aR)-N-(3,5-dichlorophenyl)-3-hydroxy-8-(2-morpholin-4-yl-2-oxoethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3S,6aS,8R,10aS)-N-(3,5-dichlorophenyl)-3-hydroxy-8-[2-(4-morpholinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
N-[[(4R,5R)-8-(4-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
N-[[(4S,5S)-8-(4-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
N-[[(4R,5R)-8-(4-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
N-[(3,5-difluorophenyl)methyl]-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetamide
N-[(3,5-difluorophenyl)methyl]-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
(3S,6aR,8S,10aR)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
(3S,6aR,8R,10aR)-N-(3,5-dichlorophenyl)-3-hydroxy-8-[2-(4-morpholinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3R,6aS,8R,10aS)-N-(3,5-dichlorophenyl)-3-hydroxy-8-[2-(4-morpholinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3S,6aS,8S,10aS)-N-(3,5-dichlorophenyl)-3-hydroxy-8-[2-(4-morpholinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
[(1S)-1-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]-(4-fluorophenyl)methanone
2-[[(E)-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoyl]amino]pentanedioic acid
N-[[(4R,5S)-8-(4-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
N-[[(4R,5S)-8-(4-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
N-[[(4S,5S)-8-(4-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
N-[[(4S,5R)-8-(4-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
N-[[(4S,5R)-8-(4-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide
N-[(3,5-difluorophenyl)methyl]-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetamide
N-[(3,5-difluorophenyl)methyl]-2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetamide
N-[(3,5-difluorophenyl)methyl]-2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetamide
N-[(3,5-difluorophenyl)methyl]-2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-oxanyl]acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(1S)-1-phenylethyl]acetamide
(3S,6aS,8S,10aS)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3R,6aS,8R,10aS)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3S,6aR,8R,10aR)-N-(3-chlorophenyl)-3-hydroxy-8-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3S,6aR,8S,10aR)-N-(4-fluorophenyl)-3-hydroxy-8-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3R,6aR,8S,10aR)-N-(4-fluorophenyl)-3-hydroxy-8-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3S,6aS,8S,10aS)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
(3S,6aR,8S,10aR)-N-(3,5-dichlorophenyl)-3-hydroxy-8-[2-(4-morpholinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3R,6aR,8R,10aR)-N-(3,5-dichlorophenyl)-3-hydroxy-8-[2-(4-morpholinyl)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
2-[(3R,6aR,8S,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-(4-phenylphenyl)acetamide
[(1R)-1-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]-(4-fluorophenyl)methanone
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] decanoate
DP-987
A member of the class of phenylureas that is urea in which one of the nitrogens bears a 3-tert-butyl-1-[(3S)-3-carboxy-1,2,3,4-tetrahydroisoquinolin-6-yl]-1H-pyrazol-5-yl substituent, while the other bears a 2,3-dichlorophenyl group.
(S,R)-GSK321
(S,R)-GSK321 is a potent, selective mutant IDH1 inhibitor with IC50 values of 2.9, 3.8, 4.6 and 46 nM for R132G, R132C, R132H and WT IDH1, respectively, and >100-fold selectivity over IDH2. (S,R)-GSK321 induces decrease in intracellular 2-HG, abrogation of the myeloid differentiation block and induction of granulocytic differentiation at the level of leukemic blasts and more immature stem-like cells. (S,R)-GSK321can be used for research of acute myeloid leukemia (AML) and other cancers[1].
DSP-1053
DSP-1053, a benzylpiperidine derivative, is a potent?Serotonin Transporter (SERT) inhibitor with a Ki of 1.02 nM. DSP-1053 shows partial?5-HT1A receptor agonistic activity with a Ki of 5.05 nM. DSP-1053 has antidepressant activity[1].
GSK321
GSK321 is a potent inhibitor of mutant isocitrate dehydrogenase 1 (IDH1) enzymes. GSK321 has high inhibitory and selectivity for mutant IDH1 enzymes. GSK321 can be used for the research of acute myeloid leukemia[1][2].
3-[({5,10-dihydroxy-4,9-dimethoxy-6-oxo-7h,8h,9h,11h-cyclohexa[b]fluoren-2-yl}methyl)sulfanyl]-2-[(1-hydroxyethylidene)amino]propanoic acid
12,17-dihydroxylabda-13(e)-ene
{"Ingredient_id": "HBIN000545","Ingredient_name": "12,17-dihydroxylabda-13(e)-ene","Alias": "NA","Ingredient_formula": "C24H27N3O9","Ingredient_Smile": "CN(C)C1C2CC3CC4=C(C=C(C(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)C(=O)O)N(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5943","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}