Exact Mass: 439.1631
Exact Mass Matches: 439.1631
Found 91 metabolites which its exact mass value is equals to given mass value 439.1631,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Estramustine
(1S,10R,11S,14S,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-5-yl N,N-bis(2-chloroethyl)carbamate
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
(17-Hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) N,N-bis(2-chloroethyl)carbamic acid
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D009676 - Noxae > D000477 - Alkylating Agents
Lestaurtinib
16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one
Cys Cys Lys Ser
(2S)-2-[(2S)-6-amino-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]hexanamido]-3-hydroxypropanoic acid
Cys Cys Ser Lys
(2S)-6-amino-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]hexanoic acid
Cys Lys Cys Ser
(2S)-2-[(2R)-2-[(2S)-6-amino-2-[(2R)-2-amino-3-sulfanylpropanamido]hexanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid
Cys Lys Ser Cys
(2R)-2-[(2S)-2-[(2S)-6-amino-2-[(2R)-2-amino-3-sulfanylpropanamido]hexanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid
Cys Ser Cys Lys
(2S)-6-amino-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]hexanoic acid
Cys Ser Lys Cys
(2R)-2-[(2S)-6-amino-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxypropanamido]hexanamido]-3-sulfanylpropanoic acid
Gly Asn Ser Tyr
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carbamoylpropanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoic acid
Gly Asn Tyr Ser
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanoic acid
Gly Ser Asn Tyr
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanoic acid
Gly Ser Tyr Asn
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanoic acid
Gly Tyr Asn Ser
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-hydroxypropanoic acid
Gly Tyr Ser Asn
(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-carbamoylpropanoic acid
Lys Cys Cys Ser
(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2,6-diaminohexanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxypropanoic acid
Lys Cys Ser Cys
(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2,6-diaminohexanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-3-sulfanylpropanoic acid
Lys Ser Cys Cys
(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid
Asn Gly Ser Tyr
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetamido}-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanoic acid
Asn Gly Tyr Ser
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-carbamoylpropanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanoic acid
Asn Ser Gly Tyr
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxypropanamido]acetamido}-3-(4-hydroxyphenyl)propanoic acid
Asn Ser Tyr Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]acetic acid
Asn Tyr Gly Ser
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-hydroxypropanoic acid
Asn Tyr Ser Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]acetic acid
Ser Cys Cys Lys
(2S)-6-amino-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]hexanoic acid
Ser Cys Lys Cys
(2R)-2-[(2S)-6-amino-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]hexanamido]-3-sulfanylpropanoic acid
Ser Gly Asn Tyr
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-hydroxypropanamido]acetamido}-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanoic acid
Ser Gly Tyr Asn
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-hydroxypropanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanoic acid
Ser Lys Cys Cys
(2R)-2-[(2R)-2-[(2S)-6-amino-2-[(2S)-2-amino-3-hydroxypropanamido]hexanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid
Ser Asn Gly Tyr
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carbamoylpropanamido]acetamido}-3-(4-hydroxyphenyl)propanoic acid
Ser Asn Tyr Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]acetic acid
Ser Tyr Gly Asn
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-carbamoylpropanoic acid
Ser Tyr Asn Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]acetic acid
Tyr Gly Asn Ser
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-3-carbamoylpropanamido]-3-hydroxypropanoic acid
Tyr Gly Ser Asn
(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-3-hydroxypropanamido]-3-carbamoylpropanoic acid
Tyr Asn Gly Ser
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]acetamido}-3-hydroxypropanoic acid
Tyr Asn Ser Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-hydroxypropanamido]acetic acid
Tyr Ser Gly Asn
(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]acetamido}-3-carbamoylpropanoic acid
Tyr Ser Asn Gly
2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-3-carbamoylpropanamido]acetic acid
(3S,4R)-(-)-4-(4-FLUOROPHENYL)3-HYDROXYMETHYL)-PIPERIDINE
(3S,4R)-(-)-4-(4-FLUOROPHENYL)3-HYDROXYMETHYL)-PIPERIDINE
N,N-bis[(1S)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine
N,N-bis[(1S)-1-phenylethyl]benzo[d][1,3,2]benzodioxaphosphepin-6-amine
3-Amino-6-(4-{[1-(dimethylamino)-2-propanyl]sulfonyl}phenyl)-N-ph enyl-2-pyrazinecarboxamide
3-Amino-6-(4-{[1-(dimethylamino)-2-propanyl]sulfonyl}phenyl)-N-ph enyl-2-pyrazinecarboxamide
2-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-[(E)-phen yldiazenyl]-4,6-pyrimidinediamine
2-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-[(E)-phen yldiazenyl]-4,6-pyrimidinediamine
5-trityl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-ol,acetate
5-trityl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-ol,acetate
Lestaurtinib
Lestaurtinib
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
1,1-Biphenyl-2,2-diylbis((1S)-1-phenylethyl)phosphoramidite
1,1-Biphenyl-2,2-diylbis((1S)-1-phenylethyl)phosphoramidite
Ziresovir
Ziresovir
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent
Benzhydrocodone hydrochloride
Benzhydrocodone hydrochloride
C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
3-Furanyl-[4-[5-(2-furanyl)-2-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]methanone
3-Furanyl-[4-[5-(2-furanyl)-2-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]methanone
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].
N-(2-furanylmethyl)-2-imino-5-oxo-1-(2-phenylethyl)-3-dipyrido[1,2-d:3,4-f]pyrimidinecarboxamide
N-(2-furanylmethyl)-2-imino-5-oxo-1-(2-phenylethyl)-3-dipyrido[1,2-d:3,4-f]pyrimidinecarboxamide
2-[[6-(4-Morpholinyl)-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetic acid ethyl ester
2-[[6-(4-Morpholinyl)-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetic acid ethyl ester
8-Benzyl-2-hydroxy-2-(4-hydroxy-benzyl)-6-(4-hydroxy-phenyl)-2H-imidazo[1,2-A]pyrazin-3-one
8-Benzyl-2-hydroxy-2-(4-hydroxy-benzyl)-6-(4-hydroxy-phenyl)-2H-imidazo[1,2-A]pyrazin-3-one
estramustine
estra-1,3,5(10)-triene-3,17beta-diol, 3-[bis(2-chloroethyl)carbamate]
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
2,8-Dibenzyl-2-hydroperoxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-one
2,8-Dibenzyl-2-hydroperoxy-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-one
N-(2-ethoxyphenyl)-1-(8-quinolinylsulfonyl)-3-piperidinecarboxamide
N-(2-ethoxyphenyl)-1-(8-quinolinylsulfonyl)-3-piperidinecarboxamide
1-[(3,4-dimethoxyphenyl)methyl]-4-(4-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
1-[(3,4-dimethoxyphenyl)methyl]-4-(4-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
N-[(3,5-dimethyl-1-piperidinyl)-sulfanylidenemethyl]-2-methyl-5-(4-morpholinylsulfonyl)benzamide
N-[(3,5-dimethyl-1-piperidinyl)-sulfanylidenemethyl]-2-methyl-5-(4-morpholinylsulfonyl)benzamide
N-[(2-methoxyphenyl)methyl]-1-(8-quinolinylsulfonyl)-4-piperidinecarboxamide
N-[(2-methoxyphenyl)methyl]-1-(8-quinolinylsulfonyl)-4-piperidinecarboxamide
[1-[[1-(5-Chloro-2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidinyl]-(2,4-dimethoxyphenyl)methanone
[1-[[1-(5-Chloro-2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidinyl]-(2,4-dimethoxyphenyl)methanone
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
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
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
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
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
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
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
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
(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
(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
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
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
(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
(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
(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
(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
(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
(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
(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
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
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
