Exact Mass: 453.1495708
Exact Mass Matches: 453.1495708
Found 379 metabolites which its exact mass value is equals to given mass value 453.1495708,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Danofloxacin Mesylate
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
Temafloxacin hydrochloride
C21H19ClF3N3O3 (453.10669700000005)
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
Benzoic acid, 2,6-bis[(4,6-dimethoxy-2-pyrimidinyl)oxy]-, sodium salt (1:1)
C19H18N4NaO8 (453.10222880000003)
O-Methyl-4-[(2',3',4'-tri-O-acetyl-alpha-L-rhamnosyloxy)benzyl]carbamate
C21H27NO10 (453.1634882000001)
O-Methyl-4-[(2,3,4-tri-O-acetyl-alpha-L-rhamnosyloxy)benzyl]carbamate is a fully acetylated carbamate glycoside. It has been isolated from the leaves of Moringa oleifera (horseradish tree). It is found in fats and oils, herbs and spices, and green vegetables. The trans and cis rotamers differ in the orientation of the NH group with respect to the carbonyl group.
Endoxifen sulfate
C25H27NO5S (453.1609852000001)
Endoxifen sulfate is a metabolite of tamoxifen. Tamoxifen is an antagonist of the estrogen receptor in breast tissue via its active metabolite, hydroxytamoxifen. In other tissues such as the endometrium, it behaves as an agonist, and thus may be characterized as a mixed agonist/antagonist. Tamoxifen is the usual endocrine therapy for hormone receptor-positive breast cancer in pre-menopausal women, and is also a standard in post-menopausal women although aromatase inhibitors are also frequently used in that setting. (Wikipedia)
k-252b
C26H19N3O5 (453.13246440000006)
7-Hydroxyfluphenazine
C22H26F3N3O2S (453.16977320000007)
3-Amino-6-{4-[(4-Methylpiperazin-1-Yl)sulfonyl]phenyl}-N-Pyridin-3-Ylpyrazine-2-Carboxamide
Fluphenazine sulfoxide
C22H26F3N3O2S (453.16977320000007)
Benzyloxycarbonyl-Val-Ala-Asp-fluoromethylketone
Latrunculone A
C22H31NO7S (453.18211360000004)
A natural product found in Cacospongia mycofijiensis.
K252b
C26H19N3O5 (453.13246440000006)
D004791 - Enzyme Inhibitors
Ala Cys Phe Asn
Ala Cys Asn Phe
Ala Phe Cys Asn
Ala Phe Asn Cys
Ala Asn Cys Phe
Ala Asn Phe Cys
Ala Asn Ser Tyr
C19H27N5O8 (453.18595419999997)
Ala Asn Tyr Ser
C19H27N5O8 (453.18595419999997)
Ala Ser Asn Tyr
C19H27N5O8 (453.18595419999997)
Ala Ser Tyr Asn
C19H27N5O8 (453.18595419999997)
Ala Tyr Asn Ser
C19H27N5O8 (453.18595419999997)
Ala Tyr Ser Asn
C19H27N5O8 (453.18595419999997)
Cys Ala Phe Asn
Cys Ala Asn Phe
Cys Cys Lys Thr
Cys Cys Gln Thr
Cys Cys Thr Lys
Cys Cys Thr Gln
Cys Phe Ala Asn
Cys Phe Gly Gln
Cys Phe Asn Ala
Cys Phe Gln Gly
Cys Gly Phe Gln
Cys Gly Gln Phe
Cys Lys Cys Thr
Cys Lys Thr Cys
Cys Met Asn Ser
Cys Met Ser Asn
Cys Asn Ala Phe
Cys Asn Phe Ala
Cys Asn Met Ser
Cys Asn Ser Met
Cys Gln Cys Thr
Cys Gln Phe Gly
Cys Gln Gly Phe
Cys Gln Thr Cys
Cys Ser Met Asn
Cys Ser Asn Met
Cys Thr Cys Lys
Cys Thr Cys Gln
Cys Thr Lys Cys
Cys Thr Gln Cys
Phe Ala Cys Asn
Phe Ala Asn Cys
Phe Cys Ala Asn
Phe Cys Gly Gln
Phe Cys Asn Ala
Phe Cys Gln Gly
Phe Gly Cys Gln
Phe Gly Gln Cys
Phe Asn Ala Cys
Phe Asn Cys Ala
Phe Asn Ser Ser
C19H27N5O8 (453.18595419999997)
Phe Gln Cys Gly
Phe Gln Gly Cys
Phe Ser Asn Ser
C19H27N5O8 (453.18595419999997)
Phe Ser Ser Asn
C19H27N5O8 (453.18595419999997)
Gly Cys Phe Gln
Gly Cys Gln Phe
Gly Phe Cys Gln
Gly Phe Gln Cys
Gly Asn Thr Tyr
C19H27N5O8 (453.18595419999997)
Gly Asn Tyr Thr
C19H27N5O8 (453.18595419999997)
Gly Gln Cys Phe
Gly Gln Phe Cys
Gly Gln Ser Tyr
C19H27N5O8 (453.18595419999997)
Gly Gln Tyr Ser
C19H27N5O8 (453.18595419999997)
Gly Ser Gln Tyr
C19H27N5O8 (453.18595419999997)
Gly Ser Tyr Gln
C19H27N5O8 (453.18595419999997)
Gly Thr Asn Tyr
C19H27N5O8 (453.18595419999997)
Gly Thr Tyr Asn
C19H27N5O8 (453.18595419999997)
Gly Tyr Asn Thr
C19H27N5O8 (453.18595419999997)
Gly Tyr Gln Ser
C19H27N5O8 (453.18595419999997)
Gly Tyr Ser Gln
C19H27N5O8 (453.18595419999997)
Gly Tyr Thr Asn
C19H27N5O8 (453.18595419999997)
His Asn Pro Ser
His Asn Ser Pro
His Pro Asn Ser
His Pro Ser Asn
His Ser Asn Pro
His Ser Pro Asn
Lys Cys Cys Thr
Lys Cys Thr Cys
Lys Thr Cys Cys
Met Cys Asn Ser
Met Cys Ser Asn
Met Asn Cys Ser
Met Asn Ser Cys
Met Ser Cys Asn
Met Ser Asn Cys
Asn Ala Cys Phe
Asn Ala Phe Cys
Asn Ala Ser Tyr
C19H27N5O8 (453.18595419999997)
Asn Ala Tyr Ser
C19H27N5O8 (453.18595419999997)
Asn Cys Ala Phe
Asn Cys Phe Ala
Asn Cys Met Ser
Asn Cys Ser Met
Asn Phe Ala Cys
Asn Phe Cys Ala
Asn Phe Ser Ser
C19H27N5O8 (453.18595419999997)
Asn Gly Thr Tyr
C19H27N5O8 (453.18595419999997)
Asn Gly Tyr Thr
C19H27N5O8 (453.18595419999997)
Asn His Pro Ser
Asn His Ser Pro
Asn Met Cys Ser
Asn Met Ser Cys
Asn Pro His Ser
Asn Pro Ser His
Asn Ser Ala Tyr
C19H27N5O8 (453.18595419999997)
Asn Ser Cys Met
Asn Ser Phe Ser
C19H27N5O8 (453.18595419999997)
Asn Ser His Pro
Asn Ser Met Cys
Asn Ser Pro His
Asn Ser Ser Phe
C19H27N5O8 (453.18595419999997)
Asn Ser Tyr Ala
C19H27N5O8 (453.18595419999997)
Asn Thr Gly Tyr
C19H27N5O8 (453.18595419999997)
Asn Thr Tyr Gly
C19H27N5O8 (453.18595419999997)
Asn Tyr Ala Ser
C19H27N5O8 (453.18595419999997)
Asn Tyr Gly Thr
C19H27N5O8 (453.18595419999997)
Asn Tyr Ser Ala
C19H27N5O8 (453.18595419999997)
Asn Tyr Thr Gly
C19H27N5O8 (453.18595419999997)
Pro His Asn Ser
Pro His Ser Asn
Pro Asn His Ser
Pro Asn Ser His
Pro Ser His Asn
Pro Ser Asn His
Gln Cys Cys Thr
Gln Cys Phe Gly
Gln Cys Gly Phe
Gln Cys Thr Cys
Gln Phe Cys Gly
Gln Phe Gly Cys
Gln Gly Cys Phe
Gln Gly Phe Cys
Gln Gly Ser Tyr
C19H27N5O8 (453.18595419999997)
Gln Gly Tyr Ser
C19H27N5O8 (453.18595419999997)
Gln Ser Gly Tyr
C19H27N5O8 (453.18595419999997)
Gln Ser Tyr Gly
C19H27N5O8 (453.18595419999997)
Gln Thr Cys Cys
Gln Tyr Gly Ser
C19H27N5O8 (453.18595419999997)
Gln Tyr Ser Gly
C19H27N5O8 (453.18595419999997)
Ser Ala Asn Tyr
C19H27N5O8 (453.18595419999997)
Ser Ala Tyr Asn
C19H27N5O8 (453.18595419999997)
Ser Cys Met Asn
Ser Cys Asn Met
Ser Phe Asn Ser
C19H27N5O8 (453.18595419999997)
Ser Phe Ser Asn
C19H27N5O8 (453.18595419999997)
Ser Gly Gln Tyr
C19H27N5O8 (453.18595419999997)
Ser Gly Tyr Gln
C19H27N5O8 (453.18595419999997)
Ser His Asn Pro
Ser His Pro Asn
Ser Met Cys Asn
Ser Met Asn Cys
Ser Asn Ala Tyr
C19H27N5O8 (453.18595419999997)
Ser Asn Cys Met
Ser Asn Phe Ser
C19H27N5O8 (453.18595419999997)
Ser Asn His Pro
Ser Asn Met Cys
Ser Asn Pro His
Ser Asn Ser Phe
C19H27N5O8 (453.18595419999997)
Ser Asn Tyr Ala
C19H27N5O8 (453.18595419999997)
Ser Pro His Asn
Ser Pro Asn His
Ser Gln Gly Tyr
C19H27N5O8 (453.18595419999997)
Ser Gln Tyr Gly
C19H27N5O8 (453.18595419999997)
Ser Ser Phe Asn
C19H27N5O8 (453.18595419999997)
Ser Ser Asn Phe
C19H27N5O8 (453.18595419999997)
Ser Tyr Ala Asn
C19H27N5O8 (453.18595419999997)
Ser Tyr Gly Gln
C19H27N5O8 (453.18595419999997)
Ser Tyr Asn Ala
C19H27N5O8 (453.18595419999997)
Ser Tyr Gln Gly
C19H27N5O8 (453.18595419999997)
Thr Cys Cys Lys
Thr Cys Cys Gln
Thr Cys Lys Cys
Thr Cys Gln Cys
Thr Gly Asn Tyr
C19H27N5O8 (453.18595419999997)
Thr Gly Tyr Asn
C19H27N5O8 (453.18595419999997)
Thr Lys Cys Cys
Thr Asn Gly Tyr
C19H27N5O8 (453.18595419999997)
Thr Asn Tyr Gly
C19H27N5O8 (453.18595419999997)
Thr Gln Cys Cys
Thr Tyr Gly Asn
C19H27N5O8 (453.18595419999997)
Thr Tyr Asn Gly
C19H27N5O8 (453.18595419999997)
Tyr Ala Asn Ser
C19H27N5O8 (453.18595419999997)
Tyr Ala Ser Asn
C19H27N5O8 (453.18595419999997)
Tyr Gly Asn Thr
C19H27N5O8 (453.18595419999997)
Tyr Gly Gln Ser
C19H27N5O8 (453.18595419999997)
Tyr Gly Ser Gln
C19H27N5O8 (453.18595419999997)
Tyr Gly Thr Asn
C19H27N5O8 (453.18595419999997)
Tyr Asn Ala Ser
C19H27N5O8 (453.18595419999997)
Tyr Asn Gly Thr
C19H27N5O8 (453.18595419999997)
Tyr Asn Ser Ala
C19H27N5O8 (453.18595419999997)
Tyr Asn Thr Gly
C19H27N5O8 (453.18595419999997)
Tyr Gln Gly Ser
C19H27N5O8 (453.18595419999997)
Tyr Gln Ser Gly
C19H27N5O8 (453.18595419999997)
Tyr Ser Ala Asn
C19H27N5O8 (453.18595419999997)
Tyr Ser Gly Gln
C19H27N5O8 (453.18595419999997)
Tyr Ser Asn Ala
C19H27N5O8 (453.18595419999997)
Tyr Ser Gln Gly
C19H27N5O8 (453.18595419999997)
Tyr Thr Gly Asn
C19H27N5O8 (453.18595419999997)
Tyr Thr Asn Gly
C19H27N5O8 (453.18595419999997)
Fluphenazine (further oxidation of piperazine ring)
C22H26F3N3O2S (453.16977320000007)
1-isobutanol
C21H27NO10 (453.1634882000001)
butyl N-[4-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophen-2-yl]sulfonylcarbamate
L-Norleucine, L-g-glutamyl-6-diazo-5-oxo-L-norleucyl-6-diazo-5-oxo-
4-METHOXYPHENYL-2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
C21H27NO10 (453.1634882000001)
tetraethyl 2-(4-nitrophenyl)propane-1,1,3,3-tetracarboxylate
C21H27NO10 (453.1634882000001)
(2S,4S)-4-Diphenylphosphino 2-diphenylphosphinomethyl pyrrolidine
2-[[4-[(2-cyano-3-nitrophenyl)azo]-m-tolyl](2-acetoxyethyl)amino]ethyl acetate
dimethyl 5-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azoterephthalate
C21H19N5O7 (453.12844240000004)
4-[4-[4-(AMINOIMINOMETHYL)PHENYL]-1-PIPERAZINYL]-1-PIPERIDINEACETIC ACID TRIHYDROCHLORIDE
methyl 5-chloro-2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]benzoate
C21H24ClNO6S (453.10127940000007)
dimethyl 2-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]terephthalate
C21H19N5O7 (453.12844240000004)
Vodobatinib
C27H20ClN3O2 (453.12439700000004)
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
Oclacitinib maleate
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
Axitirome
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent
N-[4-amino-1-(2-chloroethyl)-2-naphthyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide
C24H24ClN3O4 (453.14552540000005)
N-[5-(1,1-Dioxidoisothiazolidin-2-YL)-1H-indazol-3-YL]-2-(4-piperidin-1-ylphenyl)acetamide
C23H27N5O3S (453.18345120000004)
(2s,3s)-3-{3-[2-Chloro-4-(Methylsulfonyl)phenyl]-1,2,4-Oxadiazol-5-Yl}-1-Cyclopentylidene-4-Cyclopropyl-1-Fluorobutan-2-Amine
C21H25ClFN3O3S (453.12891020000006)
[4,5-Diacetyloxy-6-[4-[(methoxycarbonylamino)methyl]phenoxy]-2-methyloxan-3-yl] acetate
C21H27NO10 (453.1634882000001)
Benzyloxycarbonyl-Val-Ala-Asp-fluoromethylketone
3-Demethylstaurosporinium(1+)
C27H25N4O3+ (453.19265599999994)
Conjugate acid of 3-demethylstaurosporine.
[(1R,2R,3R,4S)-1-acetyloxy-2,4-dihydroxy-11-methanimidoyl-2-methyl-5,9,10-trioxo-1,3,4,6-tetrahydrobenzo[b]fluoren-4b-ylium-6-id-3-yl] acetate
C23H19NO9 (453.10597640000003)
Farinamycin
C21H19N5O7 (453.12844240000004)
A natural product found in Streptomyces griseus.
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-2-anthracenecarboxamide
C26H19N3O5 (453.13246440000006)
4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one
C24H27N3O4S (453.1722182000001)
3-[[2-[[4-Ethyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester
C23H27N5O3S (453.18345120000004)
Ethyl 4-oxo-4-[(18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)amino]butanoate
C27H23N3O4 (453.16884780000004)
N-benzoylampicillin
C23H23N3O5S (453.13583480000005)
A penicillin that is the N-benzoyl derivative of ampicillin.
[2-Methyl-1-(2-phenylethyl)-3-imidazo[1,2-a]pyridin-4-iumyl]-diphenyl-sulfanylidenephosphorane
C28H26N2PS+ (453.15542260000007)
CID 23724790
C18H32ClN3O6S (453.17002420000006)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
Methyl (1S,3S,4R,7R,9R,11S,12S,13S)-5-(6-aminopurin-9-yl)-1,12,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate
2-[(3R,6aS,8R,10aS)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-thiazol-2-yl)acetamide
N-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-2-carboxamide
C20H24ClN3O5S (453.11251240000007)
N-[(2R,3S,6S)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-2-carboxamide
C20H24ClN3O5S (453.11251240000007)
2-[(2R,3S,6S)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
C24H27N3O6 (453.18997620000005)
2-[(2R,3S,6R)-3-(1,3-benzodioxol-5-ylcarbamoylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
C24H27N3O6 (453.18997620000005)
2-[(3S,6aS,8R,10aS)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-thiazol-2-yl)acetamide
N-[(2R,3R,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
N-[(2S,3R,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
N-[(2R,3R,6S)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-2-carboxamide
C20H24ClN3O5S (453.11251240000007)
2-[(2R,3R,6R)-3-(1,3-benzodioxol-5-ylcarbamoylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
C24H27N3O6 (453.18997620000005)
2-[(2R,3R,6R)-3-(1,3-benzodioxol-5-ylcarbamoylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
C24H27N3O6 (453.18997620000005)
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide
C21H31N3O6S (453.19334660000004)
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide
C21H31N3O6S (453.19334660000004)
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide
C21H31N3O6S (453.19334660000004)
N-[(2R,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
2-[(2S,3S,6R)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
C24H27N3O6 (453.18997620000005)
2-[(2R,3R,6S)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
C24H27N3O6 (453.18997620000005)
N-[(2R,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
N-[(2S,3R,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
N-[(2S,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
C24H27N3O6 (453.18997620000005)
N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
C24H27N3O6 (453.18997620000005)
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
C24H27N3O6 (453.18997620000005)
2-[(3R,6aR,8S,10aR)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
2-[(3R,6aR,8R,10aR)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
4-[(3aS,4R,9bS)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
C27H23N3O4 (453.16884780000004)
4-[(3aR,4S,9bR)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
C27H23N3O4 (453.16884780000004)
1-[(1R)-2-[(3-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-1-propanone
C25H28ClN3O3 (453.1819088000001)
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
C21H31N3O6S (453.19334660000004)
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide
C21H31N3O6S (453.19334660000004)
N-[(2S,3R,6S)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
N-[(2S,3S,6S)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
2-[(2S,3R,6S)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
C24H27N3O6 (453.18997620000005)
2-[(2R,3S,6R)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
C24H27N3O6 (453.18997620000005)
2-[(2S,3S,6R)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1S)-1-phenylethyl]acetamide
C24H27N3O6 (453.18997620000005)
2-[(2R,3R,6S)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
C24H27N3O6 (453.18997620000005)
2-[(2S,3S,6S)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(1R)-1-phenylethyl]acetamide
C24H27N3O6 (453.18997620000005)
N-[(2S,3R,6S)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
N-[(2R,3R,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
N-[(2R,3S,6S)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
N-[(2S,3S,6S)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
N-[(2R,3R,6S)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-pyridinecarboxamide
C20H24ClN3O5S (453.11251240000007)
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
C24H27N3O6 (453.18997620000005)
N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
C24H27N3O6 (453.18997620000005)
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
C24H27N3O6 (453.18997620000005)
N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide
C24H27N3O6 (453.18997620000005)
2-[(3R,6aS,8S,10aS)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
2-[(3S,6aR,8S,10aR)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
2-[(3S,6aS,8S,10aS)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
2-[(3S,6aR,8R,10aR)-1-[(3,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
(2S,3S,3aR,9bR)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C22H23F4N3O3 (453.16754560000004)
(2R,3R,3aS,9bS)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-1-(3,3,3-trifluoropropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C22H23F4N3O3 (453.16754560000004)
4-[(3aR,4R,9bR)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
C27H23N3O4 (453.16884780000004)
4-[(3aS,4S,9bS)-1-[1,3-benzodioxol-5-yl(oxo)methyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
C27H23N3O4 (453.16884780000004)
1-[(1S)-1-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]ethanone
C25H28ClN3O3 (453.1819088000001)
1-[(1S)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-1-propanone
C25H28ClN3O3 (453.1819088000001)
1-[(1S)-2-[(3-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-1-propanone
C25H28ClN3O3 (453.1819088000001)
1-[(1R)-1-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]ethanone
C25H28ClN3O3 (453.1819088000001)
2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-3-oxo-N,3-diphenylpropanamide
C26H23N5O3 (453.18008080000004)
Methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(2-methoxyethyl)-4,5-dioxopyrrolidin-2-yl]benzoate
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-methyl-3-oxo-1-phenylpropyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
C20H27N3O7S (453.15696320000006)
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] cyclohexa-1,4-diene-1-carboxylate
C17H20N5O8P (453.10494500000004)
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] cyclohexa-2,5-diene-1-carboxylate
C17H20N5O8P (453.10494500000004)
4,7-DI(4-Ethoxyphenyl)-6-phenyl-1,2,5-thiadiazolo(3,4-C)pyridine
BI-6901
C23H27N5O3S (453.18345120000004)
BI 6901 is a potent, selective CCR10 antagonist (pIC50=9.0). BI 6901 shows high selectivity over other GPCRs, including a number of other chemokine receptors. BI 6901 is efficacious in the murine DNFB model of contact hypersensitivity and can be used for inflammation research[1].
SB-612111 (hydrochloride)
SB-612111 hydrochloride hydrochloride is a novel and potent opiate receptor-like orphan receptor (ORL-1) antagonist with a high affinity for hORL-1 (Ki=0.33 nM). SB-612111 hydrochloride exhibits selectivity for μ-,?κ- and?δ-receptors with Ki values of?57.6 nM, 160.5 nM and 2109 nM, respecticely. SB-612111 hydrochloride effectively antagonizes the pronociceptive action of Nociceptin (HY-P0183) in an acute pain model[1].
Temuterkib
C22H27N7O2S (453.19468420000004)
Temuterkib (LY3214996) is a highly selective inhibitor of ERK1 and ERK2, with IC50 of 5 nM for both enzymes in biochemical assays. Temuterkib potently inhibits cellular p-RSK1 in BRAF and RAS mutant cancer cell lines. Temuterkib shows potent antitumor activities in cancer models with MAPK pathway alterations.
(5e)-6-{2-[1-({2-carboxy-2-[(1-hydroxyethylidene)amino]ethyl}disulfanyl)butyl]-4-methylphenyl}hex-5-enoic acid
methyl 5-(6-aminopurin-9-yl)-1,12,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate
methyl (1s,3s,4r,5r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,12,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate
4-methoxy-6-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),17,20(27),21(26),22,24-decaene-3,18-diol
C27H23N3O4 (453.16884780000004)
8,17-dihydroxy-17-(2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl)-5,12-dimethyl-2,16-dioxabicyclo[13.3.1]nonadeca-4,9-diene-3,11-dione
C22H31NO7S (453.18211360000004)
methyl (1r,3r,4s,5r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,12,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate
2-[4,6-dihydroxy-5-(6-methoxy-3-methyl-6-oxohex-3-en-1-yl)-1-oxo-3h-isoindol-2-yl]-3-phenylpropanoic acid
C25H27NO7 (453.17874320000004)
(2s)-n-[(3s,4r,4ar,5r,6r)-3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4h-2-benzopyran-4-yl]-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}propanimidic acid
C17H25Cl2N3O7 (453.10694800000005)
(2r,4r,5s,6s)-5-methoxy-6-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),16,20(27),21(26),22,24-decaene-4,16-diol
C27H23N3O4 (453.16884780000004)
(5s,6s,6as)-6a-hydroxy-1',5-dimethyl-2-[(methylsulfanyl)methyl]-2',3-dioxo-4,5,7,8-tetrahydrospiro[cyclopenta[f]quinoxaline-6,3'-indole]-9-carboxylic acid
C23H23N3O5S (453.13583480000005)
methyl (1s,3s,4r,5r,7r,9r,11s,12s,13r)-5-(6-aminopurin-9-yl)-1,12,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate
(2s,3r,4r,6r)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),16,20(27),21(26),22,24-decaene-4,16-diol
C27H23N3O4 (453.16884780000004)
(1's,15's,26's,29'r)-27'-oxa-8',11',13',16',24'-pentaazaspiro[cyclopropane-1,10'-octacyclo[13.12.1.1¹,⁸.0²,⁷.0¹³,²⁶.0¹⁶,²⁵.0¹⁸,²³.0¹¹,²⁹]nonacosane]-2',4',6',18',20',22',24'-heptaene-9',14',17'-trione
C25H19N5O4 (453.14369740000006)
methyl (1s,3s,4r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,12,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate
3-{[5-(4,8-dihydroxyquinazolin-2-yl)-2-hydroxyphenyl]amino}-2,4,5-trihydroxy-6-iminocyclohex-1-ene-1-carboximidic acid
C21H19N5O7 (453.12844240000004)
(1r,4z,8s,9e,12s,15r,17r)-8,17-dihydroxy-17-[(4r)-2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl]-5,12-dimethyl-2,16-dioxabicyclo[13.3.1]nonadeca-4,9-diene-3,11-dione
C22H31NO7S (453.18211360000004)
6a-hydroxy-1',5-dimethyl-2-[(methylsulfanyl)methyl]-2',3-dioxo-4,5,7,8-tetrahydrospiro[cyclopenta[f]quinoxaline-6,3'-indole]-9-carboxylic acid
C23H23N3O5S (453.13583480000005)
(15s,16r,18r)-3,16-dihydroxy-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1¹⁵,¹⁸.0²,⁶.0⁷,²⁷.0⁸,¹³.0¹⁹,²⁶.0²⁰,²⁵]octacosa-1(26),2(6),3,7(27),8(13),9,11,20(25),21,23-decaene-16-carboxylic acid
C26H19N3O5 (453.13246440000006)
(3r,4r,5r)-3-{[5-(4,8-dihydroxyquinazolin-2-yl)-2-hydroxyphenyl]amino}-2,4,5-trihydroxy-6-iminocyclohex-1-ene-1-carboximidic acid
C21H19N5O7 (453.12844240000004)
(5s)-6a-hydroxy-1',5-dimethyl-2-[(methylsulfanyl)methyl]-2',3-dioxo-4,5,7,8-tetrahydrospiro[cyclopenta[f]quinoxaline-6,3'-indole]-9-carboxylic acid
C23H23N3O5S (453.13583480000005)
methyl (1r,3s,4r,7r,9r,11s)-5-(6-aminopurin-9-yl)-1,13,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate
(2r)-5-carbamimidamido-2-{[4-(6-hydroxy-1h-indole-3-carbonyloxy)phenyl]formamido}pentanoic acid
(2s)-2-{4,6-dihydroxy-5-[(3e)-6-methoxy-3-methyl-6-oxohex-3-en-1-yl]-1-oxo-3h-isoindol-2-yl}-3-phenylpropanoic acid
C25H27NO7 (453.17874320000004)
27'-oxa-8',11',13',16',24'-pentaazaspiro[cyclopropane-1,10'-octacyclo[13.12.1.1¹,⁸.0²,⁷.0¹³,²⁶.0¹⁶,²⁵.0¹⁸,²³.0¹¹,²⁹]nonacosane]-2',4',6',18',20',22',24'-heptaene-9',14',17'-trione
C25H19N5O4 (453.14369740000006)
n-[(4-{[(2s,3r,4r,5s,6s)-3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}phenyl)methyl]methoxycarboximidic acid
C21H27NO10 (453.1634882000001)
(2s)-2-{4,6-dihydroxy-5-[(2e)-6-methoxy-3-methyl-6-oxohex-2-en-1-yl]-1-oxo-3h-isoindol-2-yl}-3-phenylpropanoic acid
C25H27NO7 (453.17874320000004)
methyl 5-(6-aminopurin-9-yl)-1,13,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate
2-{[(2e,4e,6e,8e,10e)-1-hydroxy-11-{3-hydroxy-2-[(1-hydroxyethylidene)amino]phenyl}undeca-2,4,6,8,10-pentaen-1-ylidene]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid
C24H27N3O6 (453.18997620000005)
2-amino-n-(1-{[3-(dichloromethyl)-5,6,8-trihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4h-2-benzopyran-4-yl]-c-hydroxycarbonimidoyl}ethyl)propanimidic acid
C17H25Cl2N3O7 (453.10694800000005)
methyl (1r,3s,4r,5r,7r,9r,11s)-5-(6-aminopurin-9-yl)-1,13,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate
(3r,4r)-2-amino-5-{[5-(4,8-dihydroxyquinazolin-2-yl)-2-hydroxyphenyl]amino}-3,4-dihydroxy-6-oxocyclohex-1-ene-1-carboximidic acid
C21H19N5O7 (453.12844240000004)
2-[4,6-dihydroxy-5-(6-methoxy-3-methyl-6-oxohex-2-en-1-yl)-1-oxo-3h-isoindol-2-yl]-3-phenylpropanoic acid
C25H27NO7 (453.17874320000004)
n-[(4-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}phenyl)methyl]methoxycarboximidic acid
C21H27NO10 (453.1634882000001)