Exact Mass: 391.1905526
Exact Mass Matches: 391.1905526
Found 500 metabolites which its exact mass value is equals to given mass value 391.1905526,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Linopirdine
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker D020011 - Protective Agents Same as: D04741
Hexylglutathione
C16H29N3O6S (391.17769740000006)
D004791 - Enzyme Inhibitors
Flavoxate
A drug that has been used in various urinary syndromes and as an antispasmodic. Its therapeutic usefulness and its mechanism of action are not clear. It may have local anesthetic activity and direct relaxing effects on smooth muscle as well as some activity as a muscarinic antagonist. [PubChem] G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BD - Drugs for urinary frequency and incontinence C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D000089162 - Genitourinary Agents > D064804 - Urological Agents
Orysastrobin
D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins D016573 - Agrochemicals
Diethylcarbamazine Citrate
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors
N-desmethyltoremifene
C25H26ClNO (391.17028160000007)
N-desmethyltoremifene is a metabolite of toremifene. Toremifene citrate is an oral selective estrogen receptor modulator (SERM) which helps oppose the actions of estrogen in the body. Licensed in the United States under the brand name Fareston, toremifene citrate is FDA-approved for use in advanced breast cancer. It is also being evaluated for prevention of prostate cancer under the brand name Acapodene. (Wikipedia)
Biriperone
1-[4-[2-[2-(4-Fluorophenyl)ethoxy]ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
3-((4-(2-Methoxyphenyl)piperazin-1-yl)methyl)-2,3-dihydroimidazo(1,2-c)quinazolin-5(6H)-one
N-(1-Carboxy-3-carboxanilidopropyl)alanylproline
sphingosine phosphate
acetylseneciphylline oxide
Acetylseneciphylline N-oxide is a pyrrolizine alkaloid that is seneciphylline in which the hydroxy hydrogen has been replaced by an acetyl group and the tertiary amino function has been oxidised to the corresponding N-oxide. It has a role as a Jacobaea metabolite. It is an acetate ester, a macrocyclic lactone, an olefinic compound, an organic heterotricyclic compound, a pyrrolizine alkaloid and a tertiary amine oxide. It is functionally related to a seneciphylline. A pyrrolizine alkaloid that is seneciphylline in which the hydroxy hydrogen has been replaced by an acetyl group and the tertiary amino function has been oxidised to the corresponding N-oxide.
3-[2-(1,1-dimethyl-allyl)-5-(3-methyl-but-2-enyl)-indol-3-ylmethylene]-6-methyl-piperazine-2,5-dione|Isoechulin A
3-[2-(1,1-dimethyl-allyl)-6-(3-methyl-but-2-enyl)-indol-3-ylmethylene]-6-methyl-piperazine-2,5-dione|Cycloalanyl-2alpha,alpha-dimethylallyl-6gamma,gamma-dimethylallyldehydrotryptophyl
(6E)-6-[[2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]piperazine-2,3,5-trione
(7E,9aS,11S,13S,13aS)-4-formyl-2,3,4,5,6,8,9,9a,10,11,12,13-dodecahydro-11-methyl-8-oxo-1H-indeno[1,7a-c]azonine-11,13-diyl diacetate|N-formyllycoposerramine-T
C21H29NO6 (391.19947740000003)
(2R,3S)-3-hydroxy-2-methylbutanenitrile beta-D-glucopyranoside 6?-O-(2?S,3?R)-2?-ethyl-2?,3?-dihydroxybutyrate|microtropin A
1,4,5-TRI-O-ACETYL-3,6-DI-O-METHYL-2-N-METHYLACETAMIDO-2-DEOXYHEXITOL (1-D)
2-{4-[3-(4-hydroxy-3,5-dimethoxy-phenyl)-acryloyl]-piperazin-1-yl}-N-isopropyl-acetamide|N-Isopropyl-2-<4-(4-hydroxy-3,5-dimethoxycinnamoyl)-1-piperazinyl>-acetamid
C20H29N3O5 (391.21071040000004)
Rizatriptan benzoate
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist Rizatriptan benzoate (Maxalt) is a 5-HT1 agonist.
1-(4-Methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-4-methyl-5-phenyl-penta-2,4-dien-1-one
C22H25N5O2_3-(1H-Imidazol-4-ylmethyl)-10b-(2-methyl-3-buten-2-yl)-6,10b,11,11a-tetrahydro-2H-pyrazino[1,2:1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione
Linopirdine
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker D020011 - Protective Agents Same as: D04741
Ala Ala Cys Lys
C15H29N5O5S (391.18893040000006)
Ala Ala Lys Cys
C15H29N5O5S (391.18893040000006)
Ala Cys Ala Lys
C15H29N5O5S (391.18893040000006)
Ala Cys Lys Ala
C15H29N5O5S (391.18893040000006)
Ala Lys Ala Cys
C15H29N5O5S (391.18893040000006)
Ala Lys Cys Ala
C15H29N5O5S (391.18893040000006)
Ala Lys Ser Ser
Ala Asn Ser Thr
Ala Asn Thr Ser
Ala Gln Ser Ser
Ala Ser Lys Ser
Ala Ser Asn Thr
Ala Ser Gln Ser
Ala Ser Ser Lys
Ala Ser Ser Gln
Ala Ser Thr Asn
Ala Thr Asn Ser
Ala Thr Ser Asn
Cys Ala Ala Lys
C15H29N5O5S (391.18893040000006)
Cys Ala Lys Ala
C15H29N5O5S (391.18893040000006)
Cys Gly Gly Arg
C13H25N7O5S (391.16378000000003)
Cys Gly Arg Gly
C13H25N7O5S (391.16378000000003)
Cys Lys Ala Ala
C15H29N5O5S (391.18893040000006)
Cys Arg Gly Gly
C13H25N7O5S (391.16378000000003)
Gly Cys Gly Arg
C13H25N7O5S (391.16378000000003)
Gly Cys Arg Gly
C13H25N7O5S (391.16378000000003)
Gly Gly Cys Arg
C13H25N7O5S (391.16378000000003)
Gly Gly Lys Met
C15H29N5O5S (391.18893040000006)
Gly Gly Met Lys
C15H29N5O5S (391.18893040000006)
Gly Gly Arg Cys
C13H25N7O5S (391.16378000000003)
Gly Lys Gly Met
C15H29N5O5S (391.18893040000006)
Gly Lys Met Gly
C15H29N5O5S (391.18893040000006)
Gly Lys Ser Thr
Gly Lys Thr Ser
Gly Met Gly Lys
C15H29N5O5S (391.18893040000006)
Gly Met Lys Gly
C15H29N5O5S (391.18893040000006)
Gly Asn Thr Thr
Gly Gln Ser Thr
Gly Gln Thr Ser
Gly Arg Cys Gly
C13H25N7O5S (391.16378000000003)
Gly Arg Gly Cys
C13H25N7O5S (391.16378000000003)
Gly Ser Lys Thr
Gly Ser Gln Thr
Gly Ser Thr Lys
Gly Ser Thr Gln
Gly Thr Lys Ser
Gly Thr Asn Thr
Gly Thr Gln Ser
Gly Thr Ser Lys
Gly Thr Ser Gln
Gly Thr Thr Asn
Lys Ala Ala Cys
C15H29N5O5S (391.18893040000006)
Lys Ala Cys Ala
C15H29N5O5S (391.18893040000006)
Lys Ala Ser Ser
Lys Cys Ala Ala
C15H29N5O5S (391.18893040000006)
Lys Gly Gly Met
C15H29N5O5S (391.18893040000006)
Lys Gly Met Gly
C15H29N5O5S (391.18893040000006)
Lys Gly Ser Thr
Lys Gly Thr Ser
Lys Met Gly Gly
C15H29N5O5S (391.18893040000006)
Lys Ser Ala Ser
Lys Ser Gly Thr
Lys Ser Ser Ala
Lys Ser Thr Gly
Lys Thr Gly Ser
Lys Thr Ser Gly
Met Gly Gly Lys
C15H29N5O5S (391.18893040000006)
Met Gly Lys Gly
C15H29N5O5S (391.18893040000006)
Met Lys Gly Gly
C15H29N5O5S (391.18893040000006)
Asn Ala Ser Thr
Asn Ala Thr Ser
Asn Gly Thr Thr
Asn Ser Ala Thr
Asn Ser Thr Ala
Asn Thr Ala Ser
Asn Thr Gly Thr
Asn Thr Ser Ala
Asn Thr Thr Gly
Gln Ala Ser Ser
Gln Gly Ser Thr
Gln Gly Thr Ser
Gln Ser Ala Ser
Gln Ser Gly Thr
Gln Ser Ser Ala
Gln Ser Thr Gly
Gln Thr Gly Ser
Gln Thr Ser Gly
Arg Cys Gly Gly
C13H25N7O5S (391.16378000000003)
Arg Gly Cys Gly
C13H25N7O5S (391.16378000000003)
Arg Gly Gly Cys
C13H25N7O5S (391.16378000000003)
Ser Ala Lys Ser
Ser Ala Asn Thr
Ser Ala Gln Ser
Ser Ala Ser Lys
Ser Ala Ser Gln
Ser Ala Thr Asn
Ser Gly Lys Thr
Ser Gly Gln Thr
Ser Gly Thr Lys
Ser Gly Thr Gln
Ser Lys Ala Ser
Ser Lys Gly Thr
Ser Lys Ser Ala
Ser Lys Thr Gly
Ser Asn Ala Thr
Ser Asn Thr Ala
Ser Gln Ala Ser
Ser Gln Gly Thr
Ser Gln Ser Ala
Ser Gln Thr Gly
Ser Ser Ala Lys
Ser Ser Ala Gln
Ser Ser Lys Ala
Ser Ser Gln Ala
Ser Thr Ala Asn
Ser Thr Gly Lys
Ser Thr Gly Gln
Ser Thr Lys Gly
Ser Thr Asn Ala
Ser Thr Gln Gly
Thr Ala Asn Ser
Thr Ala Ser Asn
Thr Gly Lys Ser
Thr Gly Asn Thr
Thr Gly Gln Ser
Thr Gly Ser Lys
Thr Gly Ser Gln
Thr Gly Thr Asn
Thr Lys Gly Ser
Thr Lys Ser Gly
Thr Asn Ala Ser
Thr Asn Gly Thr
Thr Asn Ser Ala
Thr Asn Thr Gly
Thr Gln Gly Ser
Thr Gln Ser Gly
Thr Ser Ala Asn
Thr Ser Gly Lys
Thr Ser Gly Gln
Thr Ser Lys Gly
Thr Ser Asn Ala
Thr Ser Gln Gly
Thr Thr Gly Asn
Thr Thr Asn Gly
icas#9
A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (4R)-4-hydroxypentanoic acid. It is a metabolite of the nematode Caenorhabditis elegans.
icas#6.1
C21H29NO6 (391.19947740000003)
icas#6.2
C21H29NO6 (391.19947740000003)
icos#9
A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from 5-hydroxypentanoic acid. It is a metabolite of the nematode Caenorhabditis elegans.
[2-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl]trimethylammonium chloride
1-(TERT-BUTYLDIMETHYLSILYL)-4-CHLORO-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE
1H-Benzimidazole,2-[1-[[1-(2-furanylmethyl)-1H-tetrazol-5-yl]methyl]-4-piperidinyl]-5,6-dimethyl-(9CI)
BI-D1870
C19H23F2N5O2 (391.18197219999996)
BI-D1870 is an ATP-competitive, cell permeable and brain penetrated inhibitor of RSK isoforms, with IC50s of 31 nM/24 nM/18 nM/15 nM for RSK1/RSK2/RSK3/RSK4, respectively[1][2][3][4][5].
Binodenoson
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058913 - Purinergic Agonists C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent Binodenoson (MRE-0470) is a potent and selective A2A adenosine receptor agonist (KD=270 nM). Binodenoson is being developed as a short-acting coronary vasodilator as an adjunct to radiotracers for use in myocardial stress imaging[1]. Binodenoson (MRE-0470) is a potent and selective A2A adenosine receptor agonist (KD=270 nM). Binodenoson is being developed as a short-acting coronary vasodilator as an adjunct to radiotracers for use in myocardial stress imaging[1].
ethyl 1-cyclopropyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate
C20H23F2N3O3 (391.17073919999996)
5-Methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
C21H21N5O3 (391.16443160000006)
[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
1H-Indole-1-carboxylic acid, 2-borono-6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, 1-(1,1-dimethylethyl) ester (9CI)
1H-Indole-1-carboxylic acid, 2-borono-5-[[[dimethyl(1-methylethyl)silyl]oxy]methyl]-, 1-(1,1-dimethylethyl) ester (9CI)
3-3-(Trifluoromethyl)benzoylaminobenzene-boronic acid pinacol ester
C20H21BF3NO3 (391.15665020000006)
Latrepirdine
C21H27Cl2N3 (391.15819220000003)
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Latrepirdine dihydrochloride is a neuroactive compound with antagonist activity at histaminergic, α-adrenergic, and serotonergic receptors. Latrepirdine stimulates amyloid precursor protein (APP) catabolism and amyloid-β (Aβ) secretion.
1H-Azepine, hexahydro-1-[[[2-(4-methylphenyl)-4-quinazolinyl]thio]acetyl]- (9CI)
1H-Benzimidazole,2-[1-[[1-[(4-fluorophenyl)methyl]-1H-tetrazol-5-yl]methyl]-4-piperidinyl]-(9CI)
4-Amino-N-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-N-isobutylbenzenesulfonamide
C20H29N3O3S (391.1929524000001)
2-Borono-5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl) ester
N-acetylphenylalanylarginine ethyl ester
C19H29N5O4 (391.22194340000004)
N-(2-CYANO-ETHYL)-N-PYRIDIN-3-YLMETHYL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
C22H26BN3O3 (391.20671160000006)
Dutogliptin tartrate
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98086 - Dipeptidyl Peptidase-4 Inhibitor C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
1-[4-[2-[2-(4-Fluorophenyl)ethoxy]ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Diethyl 1-benzyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
BML-278 is a SIRT1 activator (EC150: 1 μM). BML-278 increases H3K9 methylation and inhibits H3K9 acetylation in both the paternal and maternal pronucleus. BML-278 improves early embryonic development. BML-278 arrests the cell cycle at the G1/S phase, and reduces senescence in primary human mesenchymal cells. BML-278 reduces tubulin acetylation in U937 cells. BML-278 also increases mitochondrial density in murine C2C12 myoblasts[1][2].
(4R)-4-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}valeric acid
5-[[3,6-Dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy]pentanoic acid
N4-(3-fluorophenyl)-N2-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-2,4,6-triamine
C17H22FN7O3 (391.17680740000003)
5-tert-butyl-3-(4-chlorophenyl)-N-(2-pyridinylmethyl)-7-pyrazolo[1,5-a]pyrimidinamine
C22H22ClN5 (391.15636420000004)
3-Cyclohexyl-D-Alanyl-N-(3-Chlorobenzyl)-L-Prolinamide
2-amino-1-[3-(1,3-benzodioxol-5-ylamino)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
C21H21N5O3 (391.16443160000006)
D-Glucitol, 2-(acetylmethylamino)-2-deoxy-3,6-di-O-methyl-, 1,4,5-triacetate
3-amino-3-[(E)-1-hydroxyhexadec-2-enyl]-1-oxo-2,5,6-trioxa-1lambda5-phosphabicyclo[2.1.1]hexan-4-ol
1-[2-[(4-Anilino-1-carboxy-4-oxobutyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
Leu-Pro-Tyr
C20H29N3O5 (391.21071040000004)
A tripeptide composed of L-leucine, L-proline and L-tyrosine joined in sequence by peptide linkages.
Talathermophilins A
A natural product found in Talaromyces thermophilus and Talaromyces thermophilus.
4-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
2-(4-methoxyphenyl)-N-[2-(4-morpholinyl)ethyl]-4-quinolinecarboxamide
6,7-diethoxy-3-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one
C19H25N3O4S (391.15656900000005)
1-Ethyl-2-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzimidazole-5-carboxamide
(4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosa-4,7,11,13,15,19-hexaenoate
1-Hexadecanoyl-sn-glycero-2,3-cyclic phosphate
C19H36O6P- (391.22493860000003)
N-cyclobutyl-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)carbamoylamino]oxan-2-yl]acetamide
C20H29N3O5 (391.21071040000004)
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[[4-oxanyl(oxo)methyl]amino]ethyl]-3-oxanyl]-4-pyridinecarboxamide
C20H29N3O5 (391.21071040000004)
2-[(2S,3R,6S)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide
C20H29N3O5 (391.21071040000004)
N-cyclobutyl-2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)carbamoylamino]oxan-2-yl]acetamide
C20H29N3O5 (391.21071040000004)
N-cyclobutyl-2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide
C20H29N3O5 (391.21071040000004)
2-[(2R,3S,6R)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide
C20H29N3O5 (391.21071040000004)
2-[(2R,3R,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide
C20H29N3O5 (391.21071040000004)
N-cyclobutyl-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide
C20H29N3O5 (391.21071040000004)
N-cyclobutyl-2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide
C20H29N3O5 (391.21071040000004)
N-cyclobutyl-2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide
C20H29N3O5 (391.21071040000004)
2-[(2S,3R,6R)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide
C20H29N3O5 (391.21071040000004)
2-[(2S,3S,6S)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide
C20H29N3O5 (391.21071040000004)
N-cyclobutyl-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide
C20H29N3O5 (391.21071040000004)
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[[4-oxanyl(oxo)methyl]amino]ethyl]-3-oxanyl]-4-pyridinecarboxamide
C20H29N3O5 (391.21071040000004)
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[[4-oxanyl(oxo)methyl]amino]ethyl]-3-oxanyl]-4-pyridinecarboxamide
C20H29N3O5 (391.21071040000004)
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[[4-oxanyl(oxo)methyl]amino]ethyl]-3-oxanyl]-4-pyridinecarboxamide
C20H29N3O5 (391.21071040000004)
2-[(1S,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C20H29N3O5 (391.21071040000004)
2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C20H29N3O5 (391.21071040000004)
N-[[(2S,3R,4R)-1-acetyl-3-[4-(3-cyanophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide
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-propylacetamide
C20H29N3O5 (391.21071040000004)
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(2-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-propylacetamide
C20H29N3O5 (391.21071040000004)
cyclobutyl-[(2S,3S)-2-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone
cyclobutyl-[(2R,3R)-2-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone
2-cyclopropyl-1-[(2S,3R)-2-(hydroxymethyl)-6-[oxo(pyridin-4-yl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
2-[(2R,3S,6S)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide
C20H29N3O5 (391.21071040000004)
2-[(2S,3S,6R)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide
C20H29N3O5 (391.21071040000004)
2-[(2R,3R,6S)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide
C20H29N3O5 (391.21071040000004)
N-cyclobutyl-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide
C20H29N3O5 (391.21071040000004)
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[[4-oxanyl(oxo)methyl]amino]ethyl]-3-oxanyl]-4-pyridinecarboxamide
C20H29N3O5 (391.21071040000004)
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[[4-oxanyl(oxo)methyl]amino]ethyl]-3-oxanyl]-4-pyridinecarboxamide
C20H29N3O5 (391.21071040000004)
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[[4-oxanyl(oxo)methyl]amino]ethyl]-3-oxanyl]-4-pyridinecarboxamide
C20H29N3O5 (391.21071040000004)
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[[4-oxanyl(oxo)methyl]amino]ethyl]-3-oxanyl]-4-pyridinecarboxamide
C20H29N3O5 (391.21071040000004)
2-[(1R,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C20H29N3O5 (391.21071040000004)
2-[(1R,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C20H29N3O5 (391.21071040000004)
2-[(1S,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C20H29N3O5 (391.21071040000004)
2-[(1R,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C20H29N3O5 (391.21071040000004)
2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C20H29N3O5 (391.21071040000004)
N-[[(2R,3S,4S)-1-acetyl-3-[4-(3-cyanophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide
N-[[(2S,3S,4R)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-pyridinecarboxamide
[(2S,3S)-3-phenyl-1-(3-pyridinylmethyl)-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
[(2S,3R)-3-phenyl-1-(3-pyridinylmethyl)-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
cyclobutyl-[(2S,3R)-2-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone
cyclobutyl-[(2R,3S)-2-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone
2-cyclopropyl-1-[(2S,3S)-2-(hydroxymethyl)-6-[oxo(pyridin-4-yl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
2-cyclopropyl-1-[(2R,3R)-2-(hydroxymethyl)-6-[oxo(pyridin-4-yl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
2-cyclopropyl-1-[(2R,3S)-2-(hydroxymethyl)-6-[oxo(pyridin-4-yl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
methyl 3-[(E)-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)diazenyl]-1H-indole-2-carboxylate
C21H21N5O3 (391.16443160000006)
2-[Hydroxy(2-naphthyl)methyl]-N-(3-methoxyphenyl)-N-methylhexanamide
Benzyl 4-(furan-2-yl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate
(2E,4E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-4-methyl-5-phenylpenta-2,4-dien-1-one
N-Acetylvalylphenylalanylalanine methyl ester
C20H29N3O5 (391.21071040000004)
[2-[Acetyl(methyl)amino]-4,5-diacetyloxy-1-deuterio-3,6-dimethoxyhexyl] acetate
flavoxate
G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BD - Drugs for urinary frequency and incontinence C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D000089162 - Genitourinary Agents > D064804 - Urological Agents
2-Amino-5-((1-((carboxymethyl)amino)-3-(hexylthio)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid
C16H29N3O6S (391.17769740000006)
(4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoate
A docosanoid anion that is the conjugate base of (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoate
A docosanoid anion that is the conjugate base of (7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
acetylerucifoline
A pyrrolizine alkaloid that is erucifoline in which the primary hydroxy hydrogen has been replaced by an acetyl group.
BI 99179
BI 99179 is a potent and selective type I fatty acid synthase (FAS) inhibitor with an IC50 of 79 nM. BI 99179 is a tool compound suitable for the in vivo validation of FAS as a target for lipid metabolism related diseases. BI 99179 exhibits significant exposure (both peripheral and central) upon oral administration in rats[1][2].
RAS inhibitor Abd-7
RAS inhibitor Abd-7, a potent RAS-binding compound (Kd=51 nM), is a RAS-effector protein-protein interaction (PPI) inhibitor. RAS inhibitor Abd-7 interacts with RAS inside the cells, prevents RAS-effector interactions and inhibits endogenous RAS-dependent signaling. RAS inhibitor Abd-7 impairs the PPI of various mutant KRAS proteins with PI3K, CRAF and RALGDS as well as NRAS Q61H and HRAS G12V[1].
5,10-dihydroxy-2,11-dimethyl-2-(4-methylpent-3-en-1-yl)-1-oxa-11-azatetracen-6-one
n-(2-{4-[(3,7-dimethyl-5-oxoocta-3,6-dien-1-yl)oxy]phenyl}ethyl)benzenecarboximidic acid
(1r,3r)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1h-isoquinolin-8-ol
5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-3-methyl-1,2-dihydroisoquinolin-6-ol
(3r)-3-hydroxy-2-({hydroxy[(2s,3s)-3-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-3,4-dihydro-1-benzopyran-6-yl]methylidene}amino)butanoic acid
C21H29NO6 (391.19947740000003)
3-({1-[(4-carbamimidamidobutyl)-c-hydroxycarbonimidoyl]-2-phenylethyl}-c-hydroxycarbonimidoyl)oxirane-2-carboxylic acid
ancistroheynine a
{"Ingredient_id": "HBIN015995","Ingredient_name": "ancistroheynine a","Alias": "NA","Ingredient_formula": "C24H25NO4","Ingredient_Smile": "CC1CC2=CC(=C(C(=C2C(=N1)C)OC)C3=C4C=C(C=C(C4=C(C=C3)OC)O)C)O","Ingredient_weight": "391.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1144","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "135419358","DrugBank_id": "NA"}
ancistroheynine b
{"Ingredient_id": "HBIN015996","Ingredient_name": "ancistroheynine b","Alias": "NA","Ingredient_formula": "C24H25NO4","Ingredient_Smile": "CC1CC2=CC(=C(C(=C2C(=N1)C)OC)C3=C(C4=C(C=CC=C4OC)C=C3C)O)O","Ingredient_weight": "391.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1145","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "135508453","DrugBank_id": "NA"}
ancistrolikokine d
{"Ingredient_id": "HBIN015997","Ingredient_name": "ancistrolikokine d","Alias": "NA","Ingredient_formula": "C24H25NO4","Ingredient_Smile": "CC1CC2=C(C(=O)C=C(C2=C(N1)C)OC)C3=C4C=C(C=C(C4=C(C=C3)OC)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1146","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,9s,13r,14r,15s,16s)-13-(acetyloxy)-15-hydroxy-4,5,14-trimethoxy-9-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2(7),3,5,11-tetraen-9-ium-9-olate
(3s)-7-(1-hydroxy-8-methoxy-3-methylnaphthalen-2-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol
(1s,13r,14r,15s,16s)-13-(acetyloxy)-15-hydroxy-4,5,14-trimethoxy-9-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2(7),3,5,11-tetraen-9-ium-9-olate
6-{[6-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}piperazine-2,3,5-trione
5,6,10,11-tetramethoxy-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2(7),3,5,8(13),9,11,19-octaene
(2s,3r)-3-hydroxy-2-({hydroxy[(2s,3s)-3-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-3,4-dihydro-1-benzopyran-6-yl]methylidene}amino)butanoic acid
C21H29NO6 (391.19947740000003)
(3r)-5-(5-hydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol
(3s)-7-(5-hydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol
(12r,13r,15r)-13-chloro-12-ethenyl-8,8,9,12,19,19-hexamethyl-6-azapentacyclo[13.3.1.0⁵,¹⁸.0⁷,¹⁷.0¹¹,¹⁶]nonadeca-1(18),2,4,7(17),9,11(16)-hexaene
C26H30ClN (391.20666500000004)
(1r,8s,10s,11r,12s,13s)-11,13-dihydroxy-3,4,12-trimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-trien-16-one
3-{[(1s)-1-[(4-carbamimidamidobutyl)-c-hydroxycarbonimidoyl]-2-phenylethyl]-c-hydroxycarbonimidoyl}oxirane-2-carboxylic acid
3-(2,6-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene-1-carbonyl)-5-[(4-hydroxyphenyl)methylidene]pyrrole-2,4-diol
3-[(1r,2r,4as,8ar)-2,6-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene-1-carbonyl]-5-(4-hydroxyphenyl)pyridine-2,4-diol
(3r)-7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydro-2h-isoquinolin-6-one
(1s,4r,7s,9r)-6-hydroxy-4-(3h-imidazol-4-ylmethyl)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one
[(5r,7r,9z,12r,18r)-9-ethylidene-5-methyl-4,10-dioxo-3,6,11-trioxa-15-azatetracyclo[10.5.1.0⁵,⁷.0¹⁵,¹⁸]octadec-1(17)-en-7-yl]methyl acetate
(3r)-7-(1-hydroxy-8-methoxy-3-methylnaphthalen-2-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol
(2s,3r)-3-hydroxy-2-({hydroxy[(2r,3s)-3-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-3,4-dihydro-1-benzopyran-6-yl]methylidene}amino)butanoic acid
C21H29NO6 (391.19947740000003)
7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1h-isoquinolin-8-ol
3-[(1r,2r,4as,8ar)-2,6-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene-1-carbonyl]-5-[(4-hydroxyphenyl)methylidene]pyrrole-2,4-diol
(3r)-7-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol
11,13-dihydroxy-3,4,12-trimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-trien-16-one
6-{[5-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}piperazine-2,3,5-trione
(1s,3s)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1h-isoquinolin-8-ol
methyl (3s,4s,4ar,13bs)-3-hydroxy-4,13b-dimethyl-6-oxo-1h,2h,3h,4ah,5h,8h-naphtho[2,1-b]carbazole-4-carboxylate
6,11-dihydroxy-2,2,5-trimethyl-12-(3-methylbut-2-en-1-yl)-1-oxa-5-azatetraphen-10-one
(2s)-5,10-dihydroxy-2,11-dimethyl-2-(4-methylpent-3-en-1-yl)-1-oxa-11-azatetracen-6-one
(2s)-2-hydroxy-n-[(1s)-1-[(3s)-8-hydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl]-3-methylbutyl]-2-[(2s)-5-oxooxolan-2-yl]ethanimidic acid
5,10-dihydroxy-2,2,11-trimethyl-12-(3-methylbut-2-en-1-yl)-1-oxa-11-azatetracen-6-one
4,5,10,11-tetramethoxy-16-azapentacyclo[12.7.0.0²,⁷.0⁸,¹³.0¹⁶,²⁰]henicosa-1(14),2(7),3,5,8(13),9,11,20-octaene
[(1r,7r,7ar)-7-[(2-phenylacetyl)oxy]-hexahydro-1h-pyrrolizin-1-yl]methyl (2s,3r)-2,3-dihydroxy-2-methylbutanoate
C21H29NO6 (391.19947740000003)
(8r,11r,12s,13s)-11,13-dihydroxy-3,4,12-trimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-trien-16-one
2-hydroxy-n-[1-(8-hydroxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl)-3-methylbutyl]-2-(5-oxooxolan-2-yl)ethanimidic acid
(3s)-5-(5-hydroxy-4-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydro-2h-isoquinolin-6-one
n-[2-(4-{[(3z)-3,7-dimethyl-5-oxoocta-3,6-dien-1-yl]oxy}phenyl)ethyl]benzenecarboximidic acid
(6z)-5-hydroxy-6-{[6-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-1h-pyrazine-2,3-dione
4-{[3-hydroxy-5-(1h-indole-3-carbonyloxy)-6-methyloxan-2-yl]oxy}pentanoic acid
3-(2,6-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene-1-carbonyl)-5-(4-hydroxyphenyl)pyridine-2,4-diol
{7-[(2-phenylacetyl)oxy]-hexahydro-1h-pyrrolizin-1-yl}methyl 2,3-dihydroxy-2-methylbutanoate
C21H29NO6 (391.19947740000003)
(6z)-5-hydroxy-6-{[5-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-1h-pyrazine-2,3-dione
3-[(1r,2s,4ar,8ar)-2,6-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene-1-carbonyl]-5-[(4-hydroxyphenyl)methylidene]pyrrole-2,4-diol
5-hydroxy-6-{[5-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)indol-3-ylidene]methyl}-1,4-dihydropyrazine-2,3-dione
3-hydroxy-2-({hydroxy[3-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-3,4-dihydro-1-benzopyran-6-yl]methylidene}amino)butanoic acid
C21H29NO6 (391.19947740000003)