Exact Mass: 439.147839
Exact Mass Matches: 439.147839
Found 300 metabolites which its exact mass value is equals to given mass value 439.147839,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Estramustine
C23H31Cl2NO3 (439.16808760000004)
Estramustine is only found in individuals that have used or taken this drug. It is a nitrogen mustard linked to estradiol, usually as phosphate; used to treat prostatic neoplasms; also has radiation protective properties. [PubChem]Estramustine is a derivative of estradiol with a nitrogen mustard moiety. This gives it alkylating properties. In vivo, the nitrogen mustard component is active and can alklyate DNA and other cellular components (such as tubulin components) of rapidly dividing cells. This causes DNA strandbreaks or misscoding events. This leads to apoptosis and cell death. Also, due to the drugs estrogen component, it can bind more selectively to active estrogen receptors. D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents D009676 - Noxae > D000477 - Alkylating Agents Same as: D04066
(17-Hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) N,N-bis(2-chloroethyl)carbamate
C23H31Cl2NO3 (439.16808760000004)
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D009676 - Noxae > D000477 - Alkylating Agents
2-Tert-Butyl-5-phenyl 4-[(4-piperidin-1-ylphenyl)amino]isothiazol-3(2H)-one 1,1-dioxide
C24H29N3O3S (439.1929524000001)
Lefradafibanum
Lestaurtinib
C26H21N3O4 (439.15319860000005)
N-(3-Phenylpropyl)-3,4-dihydroxybenzylidene cyanoacetamide
D000970 - Antineoplastic Agents > D020032 - Tyrphostins
(Tetrahydropyran-4-yl)-[2-phenyl-5-(1,1-dioxo-thiomorpholin-4-yl)methyl-1H-indol-7-yl]amine
C24H29N3O3S (439.1929524000001)
Saroglitazar
C25H29NO4S (439.1817194000001)
Sporamin
C21H30BrNO4 (439.13580800000005)
The major storage protein of sweet potato tubers Ipomoea batatas accounting for ca. 80\\% of total soluble protein. Possesses Trypsin inhibiting activity which may have a defense role against tuber damage. Sporamin is found in root vegetables.
Hyoscine_butylbromide
C21H30NO4+.Br- (439.13580800000005)
Butylscopolamine bromide is an organic bromide salt of butylscopolamine. It is an antispasmodic drug which can relieve painful stomach cramps (including those linked with irritable bowel syndrome), bladder and menstrual cramps. It has a role as a muscarinic antagonist and an antispasmodic drug. It is an organic bromide salt and a quaternary ammonium salt. It contains a butylscopolamine. Butylscopolamine Bromide is an orally available bromide salt form of butylscopolamine, a quaternary ammonium derivative of the alkaloid scopolamine, with anticholinergic property. Upon oral administration, hyoscine butylbromide binds to and blocks muscarinic receptors located on postganglionic parasympathetic nerve endings and on smooth muscle cells. This blocks the activity of acetylcholine (Ach) and causes its antispasmodic effect in the gastrointestinal (GI), urinary, uterine, and biliary tracts. This agent may also facilitate radiologic visualization of the GI tract. Antimuscarinic quaternary ammonium derivative of scopolamine used to treat cramps in gastrointestinal, urinary, uterine, and biliary tracts, and to facilitate radiologic visualization of the gastrointestinal tract. C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
Nitrile,O-beta-D-glucopyranoside-,tetra-Ac-1-Hydroxy-2-cyclopentene-1-carboxylic acid
(S)-2-amino-5-((R)-1-(carboxymethylamino)-3-((E)-3-(4-hydroxyphenyl)allylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid|S-p-hydroxycinnamylglutathione
4-Aminophenyl 2,3,4,6-tetra-O-acetyl-a-D-mannopyranoside
Hyoscine_butylbromide
C21H30BrNO4 (439.13580800000005)
Butylscopolamine bromide is an organic bromide salt of butylscopolamine. It is an antispasmodic drug which can relieve painful stomach cramps (including those linked with irritable bowel syndrome), bladder and menstrual cramps. It has a role as a muscarinic antagonist and an antispasmodic drug. It is an organic bromide salt and a quaternary ammonium salt. It contains a butylscopolamine. Butylscopolamine Bromide is an orally available bromide salt form of butylscopolamine, a quaternary ammonium derivative of the alkaloid scopolamine, with anticholinergic property. Upon oral administration, hyoscine butylbromide binds to and blocks muscarinic receptors located on postganglionic parasympathetic nerve endings and on smooth muscle cells. This blocks the activity of acetylcholine (Ach) and causes its antispasmodic effect in the gastrointestinal (GI), urinary, uterine, and biliary tracts. This agent may also facilitate radiologic visualization of the GI tract. Antimuscarinic quaternary ammonium derivative of scopolamine used to treat cramps in gastrointestinal, urinary, uterine, and biliary tracts, and to facilitate radiologic visualization of the gastrointestinal tract. C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
3-Methoxy-dictamnine-4-(2,3,4-trimethoxy)-benzoic acid
Cys Cys Lys Ser
Cys Cys Asn Thr
Cys Cys Gln Ser
Cys Cys Ser Lys
Cys Cys Ser Gln
Cys Cys Thr Asn
Cys Phe Gly Asn
Cys Phe Asn Gly
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Cys Gly Asn Phe
Cys Lys Cys Ser
Cys Lys Ser Cys
Cys Asn Cys Thr
Cys Asn Phe Gly
Cys Asn Gly Phe
Cys Asn Thr Cys
Cys Gln Cys Ser
Cys Gln Ser Cys
Cys Ser Cys Lys
Cys Ser Cys Gln
Cys Ser Lys Cys
Cys Ser Gln Cys
Cys Thr Cys Asn
Cys Thr Asn Cys
Phe Cys Gly Asn
Phe Cys Asn Gly
Phe Gly Cys Asn
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Phe Asn Cys Gly
Phe Asn Gly Cys
Gly Cys Phe Asn
Gly Cys Asn Phe
Gly Phe Cys Asn
Gly Phe Asn Cys
Gly Asn Cys Phe
Gly Asn Phe Cys
Gly Asn Ser Tyr
Gly Asn Tyr Ser
Gly Ser Asn Tyr
Gly Ser Tyr Asn
Gly Tyr Asn Ser
Gly Tyr Ser Asn
Lys Cys Cys Ser
Lys Cys Ser Cys
Lys Ser Cys Cys
Asn Cys Cys Thr
Asn Cys Phe Gly
Asn Cys Gly Phe
Asn Cys Thr Cys
Asn Phe Cys Gly
Asn Phe Gly Cys
Asn Gly Cys Phe
Asn Gly Phe Cys
Asn Gly Ser Tyr
Asn Gly Tyr Ser
Asn Ser Gly Tyr
Asn Ser Tyr Gly
Asn Thr Cys Cys
Asn Tyr Gly Ser
Asn Tyr Ser Gly
Gln Cys Cys Ser
Gln Cys Ser Cys
Gln Ser Cys Cys
Ser Cys Cys Lys
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Ser Cys Lys Cys
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Ser Gln Cys Cys
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Tyr Gly Asn Ser
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Tyr Ser Asn Gly
2-[[4-[(2-cyano-3-nitrophenyl)azo]-m-tolyl](2-acetoxyethyl)amino]ethyl acetate
C21H21N5O6 (439.14917660000003)
(3S,4R)-(-)-4-(4-FLUOROPHENYL)3-HYDROXYMETHYL)-PIPERIDINE
Pyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione,7-[2-(acetyloxy)ethyl]-6-hydroxy-1,3-dimethyl-9-(phenylmethyl)-
C21H21N5O6 (439.14917660000003)
N,N-bis[(1S)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine
C28H26NO2P (439.17010660000005)
1,1-dimethyl-2-benzoxepin-3-yl)phenyl]ethenyl]-
C29H26ClNO (439.17028160000007)
Tiplasinin
C24H16F3NO4 (439.10313720000005)
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids C78275 - Agent Affecting Blood or Body Fluid > C29750 - Thrombolytic Agent
3-Amino-6-(4-{[1-(dimethylamino)-2-propanyl]sulfonyl}phenyl)-N-ph enyl-2-pyrazinecarboxamide
C22H25N5O3S (439.16780200000005)
2-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-[(E)-phen yldiazenyl]-4,6-pyrimidinediamine
C23H18FN9 (439.16691199999997)
propyl N-[4-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophen-2-yl]sulfonylcarbamate
C17H21N5O5S2 (439.09840560000004)
propan-2-yl N-[4-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)thiophen-2-yl]sulfonylcarbamate
C17H21N5O5S2 (439.09840560000004)
(S)-(-)-1-(2-Diphenylphosphino-1-naphthyl)isoquinoline (S)-QUINAP
N N-BIS-[(R)-1-PHENYLETHYL]DIBENZO[D F][
C28H26NO2P (439.17010660000005)
4-METHOXYPHENYL 3-O-ALLYL-2-AZIDO-4,6-O-BENZYLIDENE-2-DEOXY-BETA-D-GALACTOPYRANOSIDE
5-trityl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-ol,acetate
2-[[2-[(2-formamido-4-methylsulfanylbutanoyl)amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoic acid
C16H29N3O5S3 (439.12692640000006)
(5R,6S)-6-[(1R)-1-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]ethyl]-7-oxo-3-[(2R)-tetrahydro-2-furanyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 2-propenyl ester
C21H33NO5SSi (439.1848608000001)
9-Mesityl-2,7,10-trimethylacridinium perchlorate
C25H26ClNO4 (439.1550266000001)
6-[1-[(tert-Butyldimethylsilyl)oxy]ethyl]-7-oxo-3-(tetrahydro-3-furanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 2-propenyl ester
C21H33NO5SSi (439.1848608000001)
N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3,4,5-trimethoxybenzamide
(S)-2-(Z-AMINO)-3-PHENYLPROPYL TOLUENE-4-SULFONATE
C24H25NO5S (439.14533600000004)
Tie2 kinase inhibitor
C26H21N3O2S (439.13544060000004)
1-(4-isothiocyanatobenzyl)ethylenediamine-n,n,n,n-tetraacetic acid
C18H21N3O8S (439.10493060000005)
S-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINE CARBOXYLIC ACID BENZYL ESTER P-TOLUENESULFONIC ACID SALT
C24H25NO5S (439.14533600000004)
Lestaurtinib
C26H21N3O4 (439.15319860000005)
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
B-(9-[1,1:3,1-Terphenyl]-5-yl-9H-carbazol-3-yl)boronic acid
1,1-Biphenyl-2,2-diylbis((1S)-1-phenylethyl)phosphoramidite
C28H26NO2P (439.17010660000005)
1-Methyl-1-[4-(diphenylphosphino)benzyl]pyrrolidinium Bromide
C24H27BrNP (439.1064372000001)
4-methylumbelliferyl myo-inositol-1-phosphate, n-methyl-morpholine salt
C21H29NO9 (439.18422240000007)
2-[N-(2-acetyloxyethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl acetate
C21H21N5O6 (439.14917660000003)
(r)-(+)-1-(2-diphenylphosphino-1-naphthyl)isoquinoline
Saroglitazar
C25H29NO4S (439.1817194000001)
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C154291 - Peroxisome Proliferator-Activated Receptor Agonist Saroglitazar is a novel peroxisome proliferator-activated receptor (PPAR) agonist with predominant PPARα and moderate PPARγ activity with EC50 values of 0.65 pM and 3 nM in HepG2 cells, respectively.
Ziresovir
C22H25N5O3S (439.16780200000005)
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent
1H-Pyrazolo(3,4-b)pyridin-4-amine, 5-(5-((2,4-dimethyl-5-thiazolyl)methyl)-1,3,4-oxadiazol-2-yl)-1-ethyl-n-(tetrahydro-2H-pyran-4-yl)-
8-Azabicyclo(3.2.1)octan-3-ol, 8-(bis(2-chlorophenyl)methyl)-3-(2-pyrimidinyl)-
N-{2,2-Difluoro-2-[(2R)-piperidin-2-YL]ethyl}-2-[2-(1H-1,2,4-triazol-1-YL)benzyl][1,3]oxazolo[4,5-C]pyridin-4-amine
C22H23F2N7O (439.19320519999997)
Amibegron hydrochloride
C22H27Cl2NO4 (439.13170420000006)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists Amibegron hydrochloride is a selective β3-adrenoceptor agonist, with an EC50 of 3.5 nM for β-adrenoceptor in rat colon; Amibegron hydrochloride has anxiolytic and antidepressant activity.
Benzhydrocodone hydrochloride
C25H26ClNO4 (439.1550266000001)
C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
2-Tert-Butyl-5-phenyl 4-[(4-piperidin-1-ylphenyl)amino]isothiazol-3(2H)-one 1,1-dioxide
C24H29N3O3S (439.1929524000001)
AZ876 is a potent and high-affinity LXR agonist. AZ876 displays 25-fold and 2.5-fold more potent than GW3965 (HY-10627) on human (h)LXRα and hLXRβ respectively[1][2].
N-cyclohexyl-1-(2,4-dichlorophenyl)-6-methyl-4H-indeno[1,2-c]pyrazole-3-carboxamide
3-Furanyl-[4-[5-(2-furanyl)-2-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]methanone
C25H21N5O3 (439.16443160000006)
ML230 (CID44640177; SID 88095709) is a selective inhibitor of ATP-binding cassette (ABC) transporter ABCG2, and 36-fold selective for ABCG2 over ABCB1 with EC50s values of 0.13 μM and 4.65 μM, respectively[1].
2-(1-Adamantyl)-5-(4-ethoxy-3-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
C24H29N3O3S (439.1929524000001)
N-(2-furanylmethyl)-2-imino-5-oxo-1-(2-phenylethyl)-3-dipyrido[1,2-d:3,4-f]pyrimidinecarboxamide
C25H21N5O3 (439.16443160000006)
Dimethyl 5-{3-[2-(4-methylbenzoyl)hydrazino]-2,5-dioxo-1-pyrrolidinyl}isophthalate
2-[[6-(4-Morpholinyl)-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetic acid ethyl ester
C23H25N3O4S (439.15656900000005)
8-Benzyl-2-hydroxy-2-(4-hydroxy-benzyl)-6-(4-hydroxy-phenyl)-2H-imidazo[1,2-A]pyrazin-3-one
C26H21N3O4 (439.15319860000005)
estramustine
C23H31Cl2NO3 (439.16808760000004)
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents D009676 - Noxae > D000477 - Alkylating Agents Same as: D04066
Folate(2-)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3-O-demethyl-4-N-demethyl-staurosporine
C26H23N4O3+ (439.17700679999996)
2,8-Dibenzyl-2-hydroperoxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-one
C26H21N3O4 (439.15319860000005)
6a,7-Didehydro-1,9,10-trihydroxy-2-methoxy-6-methylaporphinium trifluoroacetate
C21H20F3NO6 (439.12426560000006)
A natural product found in Gnetum montanum.
1H-indole-4-carboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
C25H17N3O3S (439.09905720000006)
1-[(4-methylphenyl)methyl]-2,4-dioxo-N-(phenylmethyl)-3-prop-2-enyl-7-quinazolinecarboxamide
Dichotomide XIII, (rel)-
A natural product found in Stellaria dichotoma var. lanceolata.
N-(2-ethoxyphenyl)-1-(8-quinolinylsulfonyl)-3-piperidinecarboxamide
C23H25N3O4S (439.15656900000005)
4-[[Oxo-[4-(phenylmethyl)-2,3-dihydro-1,4-benzothiazin-6-yl]methyl]amino]-1-piperidinecarboxylic acid ethyl ester
C24H29N3O3S (439.1929524000001)
1-[(4-Fluorophenyl)methyl]-3-(2-furanylmethyl)-4-imino-6,6-dimethyl-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-2-one
C23H22FN3O3S (439.13658340000006)
2-(4-chlorophenoxy)-N-[4-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]phenyl]acetamide
C23H22ClN3O4 (439.12987620000007)
1-[(3,4-dimethoxyphenyl)methyl]-4-(4-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
2-(1-Benzimidazolyl)acetic acid [2-[(9,10-dioxo-1-anthracenyl)amino]-2-oxoethyl] ester
N-[4-[cyano-[3-(3-hydroxypropylamino)-2-quinoxalinyl]methyl]sulfonylphenyl]acetamide
C21H21N5O4S (439.1314186000001)
N-[(3,5-dimethyl-1-piperidinyl)-sulfanylidenemethyl]-2-methyl-5-(4-morpholinylsulfonyl)benzamide
C20H29N3O4S2 (439.15993940000004)
4-(5-methyl-3-nitro-1-pyrazolyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]butanamide
C21H21N5O6 (439.14917660000003)
1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methylthiourea
C24H29N3O3S (439.1929524000001)
N-[(2-methoxyphenyl)methyl]-1-(8-quinolinylsulfonyl)-4-piperidinecarboxamide
C23H25N3O4S (439.15656900000005)
(E)-2-cyano-3-[1-[2-(2,5-dimethylphenoxy)ethyl]indol-3-yl]-N-(furan-2-ylmethyl)prop-2-enamide
[1-[[1-(5-Chloro-2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidinyl]-(2,4-dimethoxyphenyl)methanone
C24H26ClN3O3 (439.1662596000001)
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
Ethyl 3-oxo-3-[(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]propanoate
C26H21N3O4 (439.15319860000005)
2-azaniumyl-5-[[3-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]sulfanyl-1-(carboxylatomethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoate
(SP-4-3)-[cyclobutane-1,1-dicarboxylato(2-)-kappa(2)O,O]{1-[(2R)-pyrrolidin-2-yl-kappaN]methanamine-kappaN}platinum
6-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]-3-cyclohexyl-1H-pyrimidine-2,4-dione
C23H26ClN5O2 (439.17749260000005)
1-[(1R)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]ethanone
C24H26ClN3O3 (439.1662596000001)
1-[(1R)-1-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]ethanone
C24H26ClN3O3 (439.1662596000001)
N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]methanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide
N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylmethanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]methanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide
C20H29N3O6S (439.17769740000006)
2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-(phenylcarbamoylamino)-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
(2R,3R,3aS,9bS)-1-[(3-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C21H21F4N3O3 (439.15189640000006)
(2R,3R,3aS,9bS)-7-(2-fluorophenyl)-3-(hydroxymethyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C21H21F4N3O3 (439.15189640000006)
N-[2-[(2R,5S,6R)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide
C21H30ClN3O5 (439.18738800000006)
N-[2-[(2R,5R,6R)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide
C21H30ClN3O5 (439.18738800000006)
N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide
C20H29N3O6S (439.17769740000006)
(1R,2aR,8bR)-N-(2-fluorophenyl)-1-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
C24H26FN3O4 (439.19072480000005)
2-[(2S,4aR,12aS)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2R,4aR,12aR)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
(2S,3S,3aR,9bR)-1-[(3-fluorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C21H21F4N3O3 (439.15189640000006)
(2S,3S,3aR,9bR)-7-(2-fluorophenyl)-3-(hydroxymethyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C21H21F4N3O3 (439.15189640000006)
3-[(3aR,4R,9bR)-1-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
[(8S,9S,10R)-6-ethylsulfonyl-9-[4-[2-(2-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C24H29N3O3S (439.1929524000001)
[(8R,9S,10S)-6-ethylsulfonyl-9-[4-[2-(2-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C24H29N3O3S (439.1929524000001)
1-[(1S)-1-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]ethanone
C24H26ClN3O3 (439.1662596000001)
N-[2-[(2S,5R,6S)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide
C21H30ClN3O5 (439.18738800000006)
N-[2-[(2S,5S,6S)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide
C21H30ClN3O5 (439.18738800000006)
N-[2-[(2R,5R,6S)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide
C21H30ClN3O5 (439.18738800000006)
N-[2-[(2S,5S,6R)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide
C21H30ClN3O5 (439.18738800000006)
N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide
C20H29N3O6S (439.17769740000006)
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]methanesulfonamide
C20H29N3O6S (439.17769740000006)
(1S,2aR,8bR)-N-(2-fluorophenyl)-1-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
C24H26FN3O4 (439.19072480000005)
(1S,2aS,8bS)-N-(2-fluorophenyl)-1-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
C24H26FN3O4 (439.19072480000005)
2-[(2S,4aS,12aS)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2R,4aR,12aS)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2R,4aS,12aR)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2S,4aS,12aR)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
2-[(2R,4aS,12aS)-8-[[anilino(oxo)methyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid
[(3aS,4S,9bS)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(2-pyridinyl)methanone
3-[(3aS,4S,9bS)-1-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
3-[(3aR,4S,9bR)-1-(1,3-benzodioxol-5-ylmethyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
[(8R,9R,10S)-6-ethylsulfonyl-9-[4-[2-(2-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C24H29N3O3S (439.1929524000001)
[(8S,9R,10R)-6-ethylsulfonyl-9-[4-[2-(2-pyridinyl)ethynyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
C24H29N3O3S (439.1929524000001)
3-[4-[(8R,9R,10R)-6-ethylsulfonyl-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]benzonitrile
C24H29N3O3S (439.1929524000001)
(1S,9R,10R,11R)-12-(4-fluorobenzoyl)-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-5-[(E)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C24H26FN3O4 (439.19072480000005)
(1S,13S,15S)-12,12-dimethyl-10-oxido-7-phenyl-19,21-diaza-10-azoniahexacyclo[13.5.2.01,13.03,11.04,9.015,19]docosa-2,4(9),5,7,10-pentaene-20,22-dione
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(3-oxo-1-phenylpropyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-methoxy-3-(sulfooxy)phenyl]propanimidic acid
[4-[2-[3-(3,4-Dimethoxyphenyl)propanoylamino]ethyl]-2-methoxyphenyl] hydrogen sulate
(1R,9S,10S,11S)-12-(4-fluorobenzoyl)-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-5-[(E)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
C24H26FN3O4 (439.19072480000005)
sulfo 1-cyclopropyl-6-fluoro-5-methyl-7-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylate
C19H22FN3O6S (439.12132840000004)
1-cyclopropyl-6-fluoro-5-methyl-7-[(3S)-3-methyl-4-sulfopiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
C19H22FN3O6S (439.12132840000004)
4,8-Dimethoxyfuro[2,3-b]quinolin-7-yl 3,4,5-trimethoxybenzoate
(1R,8S,9R,12R,14S)-spiro[1,10-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-8,16-2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene]-3,14,15-trione
C25H21N5O3 (439.16443160000006)
phosphatidylethanolamine P-16:0
C21H30NO7P (439.17598000000004)
A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl chain at position 1 and the acyl group at position 2 contain a total of 16 carbons and no double bonds.
Folate(2-)
The dicarboxylic acid dianion formed from folic acid by loss of a proton from each of the two carboxy groups in the glutamic acid moiety.
Zamaporvint
Zamaporvint (RXC004) is an orally active and selective inhibitor of Wnt. Zamaporvint targete membrane-bound o-acyltransferase Porcupine and inhibited Wnt ligand palmitoylation, secretion, and pathway activation. Zamaporvint displays a favorable pharmacokinetic profile and shows potent antiproliferative effects in Wnt ligand-dependent colorectal and pancreatic cell lines. Zamaporvint possesses multiple antitumor mechanisms and can be used in cancer research[1].
4-methyl-3-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-5,6,18-triol
C26H21N3O4 (439.15319860000005)
methyl 4-[hydroxy(methoxy)methyl]furan-2-carboxylate; utahmycin a
2-({1-acetyl-9h-pyrido[3,4-b]indol-3-yl}formamido)-5-butoxy-5-oxopentanoic acid
3-{3-[2-(hydroxymethyl)-3-methoxyphenyl]-10-methyl-5-oxo-2-azatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),3,6,8(12),9-pentaen-2-yl}benzoic acid
C27H21NO5 (439.14196560000005)
methyl (1r,3r,4r,5r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,4,12,13-tetrahydroxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate
(2r,4s,5s,6s)-4-methyl-3-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-5,6,18-triol
C26H21N3O4 (439.15319860000005)
(1r)-1-butoxy-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15,17,19-hexaene-14,21-dione
(2s,3r,4r,6r)-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-3,4,16-triol
C26H21N3O4 (439.15319860000005)
(1s,17s,20z,24r,26r)-4,24-dihydroxy-26-(1-hydroxyethyl)-25-oxa-16-azahexacyclo[15.7.2.0¹,²⁶.0²,¹⁵.0⁵,¹⁴.0⁷,¹²]hexacosa-2,4,7,9,11,14,20-heptaen-18,22-diyne-6,13-dione
4-({1-acetyl-9h-pyrido[3,4-b]indol-3-yl}formamido)-5-butoxy-5-oxopentanoic acid
(2s)-2-amino-4-{[(1r)-1-(carboxymethyl-c-hydroxycarbonimidoyl)-2-{[(2e)-3-(4-hydroxyphenyl)prop-2-en-1-yl]sulfanyl}ethyl]-c-hydroxycarbonimidoyl}butanoic acid
(1s,9'r,12s,13s,14's)-15-hydroxy-1',2,10,10',16-pentaazaspiro[tetracyclo[10.2.2.0²,¹¹.0⁴,⁹]hexadecane-13,8'-tetracyclo[7.6.0.0²,⁷.0¹⁰,¹⁴]pentadecan]-2',4,4',6,6',8,10,15-octaene-3,15'-dione
C25H21N5O3 (439.16443160000006)
1-{11,12-dihydroxy-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁷,²¹]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-23-yl}propan-2-one
4-{3-[2-(hydroxymethyl)-3-methoxyphenyl]-10-methyl-5-oxo-2-azatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),3,6,8(12),9-pentaen-2-yl}benzoic acid
C27H21NO5 (439.14196560000005)