Exact Mass: 421.2114
Exact Mass Matches: 421.2114
Found 500 metabolites which its exact mass value is equals to given mass value 421.2114
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Fenpyroximate
CONFIDENCE standard compound; INTERNAL_ID 254; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10501; ORIGINAL_PRECURSOR_SCAN_NO 10500 CONFIDENCE standard compound; INTERNAL_ID 254; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10529; ORIGINAL_PRECURSOR_SCAN_NO 10528 CONFIDENCE standard compound; INTERNAL_ID 254; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10568; ORIGINAL_PRECURSOR_SCAN_NO 10566 CONFIDENCE standard compound; INTERNAL_ID 254; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10573; ORIGINAL_PRECURSOR_SCAN_NO 10568 CONFIDENCE standard compound; INTERNAL_ID 254; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10546; ORIGINAL_PRECURSOR_SCAN_NO 10545 CONFIDENCE standard compound; INTERNAL_ID 254; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10595; ORIGINAL_PRECURSOR_SCAN_NO 10594
Latrunculin A
A bicyclic macrolide natural product consisting of a 16-membered bicyclic lactone attached to the rare 2-thiazolidinone moiety. It is obtained from the Red Sea sponge Latrunculia magnifica and from the Fiji Islands sponge Cacospongia mycofijiensis. Latrunculin A inhibits actin polymerisation, microfilament organsation and microfilament-mediated processes.
Fenpyroximate
Givinostat
C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
latrunculin a
Linsitinib
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
Mopidamol
C471 - Enzyme Inhibitor > C2019 - Dihydropyrimidine Dehydrogenase Inhibitor D000970 - Antineoplastic Agents
Sufotidine
Otenzepad
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents Otenzepad (AF-DX 116) is a selective and competitive M2 muscarinic acetylcholine receptor antagonist, with IC50 values of 640 nM and 386 nM for rabbit peripheral lung and rat heart, respectively[1].
Linsitinib
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
N-[4-[3-(4-Oxo-5,5-dimethyl-4,5-dihydrofuran-2-yl)butoxy]phenethyl]-3-(methylsulfinyl)propanamide
(E)-3-(methylsulfonyl)-propenoic acid (2E,6E)-4-(8-hydroxy-3,7-dimethyl-2,6-octadienyloxy)-phenethyl amide|gerambullol
(+/-)-(2R*,3R*)-3-hydroxy-9-[(2E)-1-oxo-3-phenylprop-2-enyl]-2-phenyl-1,5,9-triazacyclotridecan-4-one|(+/-)-(2R*,3R*)-3-hydroxycelacinnine|7-hydroxycelacininne
(4R,5aS,9S,9aS)-1,3,4,5,5a,6,7,8,9,9a-decahydro-4-methoxy-6,6,9a-trimethyl-3-oxonaphtho[1,2-c]furan-9-yl N-acetyl-L-valinate|(7R)-methoxypurpuride|purpuride B
N-(2-Hydroxy-2-propyl)-2-<4-(3,4,5-trimethoxy-cinnamoyl)-1-piperazinyl>acetamid|N-(2-Hydroxy-2-propyl)-2-[4-(3,4,5-trimethoxy-cinnamoyl)-1-piperazinyl]acetamid
5,13-dihydroxy-4,6,10,14-tetramethyl-15-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-diene-3,7-dione
Ala Ala Phe Asn
Ala Ala Asn Phe
Ala Cys Lys Thr
Ala Cys Thr Lys
Ala Phe Ala Asn
Ala Phe Gly Lys
Ala Phe Gly Gln
Ala Phe Lys Gly
Ala Phe Asn Ala
Ala Phe Gln Gly
Ala Gly Phe Lys
Ala Gly Phe Gln
Ala Gly Lys Phe
Ala Gly Gln Phe
Ala Lys Cys Thr
Ala Lys Phe Gly
Ala Lys Gly Phe
Ala Lys Thr Cys
Ala Asn Ala Phe
Ala Asn Phe Ala
Ala Gln Phe Gly
Ala Gln Gly Phe
Ala Thr Cys Lys
Ala Thr Lys Cys
Cys Ala Lys Thr
Cys Ala Thr Lys
Cys Gly Arg Ser
Cys Gly Ser Arg
Cys Lys Ala Thr
Cys Lys Thr Ala
Cys Arg Gly Ser
Cys Arg Ser Gly
Cys Ser Gly Arg
Cys Ser Arg Gly
Cys Thr Ala Lys
Cys Thr Lys Ala
Phe Ala Ala Asn
Phe Ala Gly Lys
Phe Ala Gly Gln
Phe Ala Lys Gly
Phe Ala Asn Ala
Phe Ala Gln Gly
Phe Gly Ala Lys
Phe Gly Ala Gln
Phe Gly Lys Ala
Phe Gly Gln Ala
Phe Lys Ala Gly
Phe Lys Gly Ala
Phe Asn Ala Ala
Phe Gln Ala Gly
Phe Gln Gly Ala
Gly Ala Phe Lys
Gly Ala Phe Gln
Gly Ala Lys Phe
Gly Ala Gln Phe
Gly Cys Arg Ser
Gly Cys Ser Arg
Gly Phe Ala Lys
Gly Phe Ala Gln
Gly Phe Lys Ala
Gly Phe Gln Ala
Gly Lys Ala Phe
Gly Lys Phe Ala
Gly Lys Met Ser
Gly Lys Ser Met
Gly Met Lys Ser
Gly Met Ser Lys
Gly Gln Ala Phe
Gly Gln Phe Ala
Gly Arg Cys Ser
Gly Arg Ser Cys
Gly Ser Cys Arg
Gly Ser Lys Met
Gly Ser Met Lys
Gly Ser Arg Cys
Lys Ala Cys Thr
Lys Ala Phe Gly
Lys Ala Gly Phe
Lys Ala Thr Cys
Lys Cys Ala Thr
Lys Cys Thr Ala
Lys Phe Ala Gly
Lys Phe Gly Ala
Lys Gly Ala Phe
Lys Gly Phe Ala
Lys Gly Met Ser
Lys Gly Ser Met
Lys Met Gly Ser
Lys Met Ser Gly
Lys Ser Gly Met
Lys Ser Met Gly
Lys Ser Ser Thr
Lys Ser Thr Ser
Lys Thr Ala Cys
Lys Thr Cys Ala
Lys Thr Ser Ser
Met Gly Lys Ser
Met Gly Ser Lys
Met Lys Gly Ser
Met Lys Ser Gly
Met Ser Gly Lys
Met Ser Lys Gly
Asn Ala Ala Phe
Asn Ala Phe Ala
Asn Phe Ala Ala
Asn Ser Thr Thr
Asn Thr Ser Thr
Asn Thr Thr Ser
Gln Ala Phe Gly
Gln Ala Gly Phe
Gln Phe Ala Gly
Gln Phe Gly Ala
Gln Gly Ala Phe
Gln Gly Phe Ala
Gln Ser Ser Thr
Gln Ser Thr Ser
Gln Thr Ser Ser
Arg Cys Gly Ser
Arg Cys Ser Gly
Arg Gly Cys Ser
Arg Gly Ser Cys
Arg Ser Cys Gly
Ser Gly Lys Met
Ser Gly Met Lys
Ser Lys Gly Met
Ser Lys Met Gly
Ser Lys Ser Thr
Ser Lys Thr Ser
Ser Met Gly Lys
Ser Met Lys Gly
Ser Asn Thr Thr
Ser Gln Ser Thr
Ser Gln Thr Ser
Ser Ser Lys Thr
Ser Ser Gln Thr
Ser Ser Thr Lys
Ser Ser Thr Gln
Ser Thr Lys Ser
Ser Thr Asn Thr
Ser Thr Gln Ser
Ser Thr Ser Lys
Ser Thr Ser Gln
Ser Thr Thr Asn
Thr Ala Cys Lys
Thr Ala Lys Cys
Thr Cys Ala Lys
Thr Cys Lys Ala
Thr Lys Ala Cys
Thr Lys Cys Ala
Thr Lys Ser Ser
Thr Asn Ser Thr
Thr Asn Thr Ser
Thr Gln Ser Ser
Thr Ser Lys Ser
Thr Ser Asn Thr
Thr Ser Gln Ser
Thr Ser Ser Lys
Thr Ser Ser Gln
Thr Ser Thr Asn
Thr Thr Asn Ser
Thr Thr Ser Asn
FIPI
FIPI (5-Fluoro-2-indolyl des-chlorohalopemide), a derivative of Halopemide (HY-119093), is a phospholipase D (PLD) inhibitor with IC50s of approximately 25 nM and 20 nM for PLD1 and PLD2, respectively. FIPI inhibits PLD regulation of F-actin cytoskeleton reorganization, cell spreading, and chemotaxis. FIPI has the potential for autoimmunity and cancer metastasis research[1][2][3].
ethyl 2-methylprop-2-enoate,methyl 2-methylprop-2-enoate,trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium,chloride
but-3-yn-2-yl N-(3-chlorophenyl)carbamate,3-cyclooctyl-1,1-dimethylurea
Octyl 5-N,N-diethylamino-2-phenylsulfonyl-2,4-pentadienoate
(6-[(ACRIDINE-9-CARBONYL)-AMINO]-HEXYL)-CARBAMIC ACID TERT-BUTYL ESTER
2-(N,N-BisBoc-amino)pyrimidine-5-boronic acid, pinacol ester
Sufotidine
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist
2,5-Dibutoxy-4-(4-morpholinyl)benzenediazonium tetrafluoroborate
Buspirone hydrochloride
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent Buspirone hydrochloride is a 5-HT1A receptor agonist. Buspirone hydrochloride can be used for anxiety and depression research[1][2].
TC-G 1004
TC-G 1004 (compound 16j) is an orally active A2A adenosine receptor antagonist, with Ki values of 0.44 nM and 80 nM for hA2A and hA1, respectively[1].
(S)-2-(4-(1-(tert-butoxycarbonyl)piperidin-3-yl)phenyl)-2H-indazole-7-carboxylicacid
4-(Naphthalenyl)-N-[4-(1-naphthalenyl)phenyl]benzenamine
(2-{4-[(E)-2-Chloro-1,2-diphenylvinyl]phenoxy}ethyl)diethylamine oxide
1-cyclopentyl-2-imino-10-methyl-5-oxo-N-(2-oxolanylmethyl)-3-dipyrido[3,4-c:1,2-f]pyrimidinecarboxamide
N~3~-[5-(1h-Indol-6-Yl)-2-(Pyridin-2-Ylmethoxy)benzyl]pyridine-2,3-Diamine
2-(4-(Aminomethyl)piperidin-1-YL)-N-(3_cyclohexyl-4-oxo-2,4-dihydroindeno[1,2-C]pyrazol-5-YL)acetamide
2-Cycloheptyl-5-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]-4,4-dimethylpyrazol-3-one
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(1-hydroxy-3-methylhexan-3-yl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
3-hydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-methoxy-2,6-bis(3-methylbut-2-enyl)phenolate
4-[(4Z,8E,10Z)-17-hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one
5-fluoro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-1H-indole-2-carboxamide
FIPI (5-Fluoro-2-indolyl des-chlorohalopemide), a derivative of Halopemide (HY-119093), is a phospholipase D (PLD) inhibitor with IC50s of approximately 25 nM and 20 nM for PLD1 and PLD2, respectively. FIPI inhibits PLD regulation of F-actin cytoskeleton reorganization, cell spreading, and chemotaxis. FIPI has the potential for autoimmunity and cancer metastasis research[1][2][3].
3-[[4-[6-(4-Morpholinyl)-3-pyridazinyl]-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one
2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-N-[4-(4-morpholinyl)phenyl]acetamide
4-[Oxo-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methyl]-1-piperazinecarboxylic acid ethyl ester
1-cyclopentyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea
N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[4-(4-hydroxyphenyl)-1-piperazinyl]acetamide
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-fluoro-1-benzotriazolyl)-1-piperidinyl]acetamide
{2-[N-(4-Dimethylamino-benzylidene)-hydrazino]-6-methyl-5-nitro-pyrimidin-4-yl}-(4-methoxy-phenyl)-amine
Ascofuranol(1-)
A phenolate anion resulting from the deprotonation of the hydroxy group that is para- to the aldehyde group of ascofuranol. The major species at pH 7.3.
Oxystemokerrine N-oxide
A natural product found in Stemona aphylla and Stemona.
(3S,6aR,8R,10aR)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(1S,9R,10R,11R)-12-acetyl-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-5-[(E)-2-phenylethenyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(3S,6aR,8R,10aR)-N-(1,3-benzodioxol-5-yl)-3-hydroxy-8-[2-(methylamino)-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
N-[2-[(2R,5R,6S)-5-[(2-fluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclohexanecarboxamide
1-[(2R,3R,6R)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2,5-difluorophenyl)urea
1-[(2R,3S,6S)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(2,5-difluorophenyl)urea
1-[(2R,3R,6S)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2,5-difluorophenyl)urea
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide
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-(2-methoxyethyl)acetamide
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-(2-methoxyethyl)acetamide
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-(2-methoxyethyl)acetamide
(3S,6aS,8R,10aS)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3R,6aR,8R,10aR)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
N-[2-[(2S,5S,6R)-5-[(2-fluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclohexanecarboxamide
N-[2-[(2S,5S,6S)-5-[(2-fluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclohexanecarboxamide
1-[(2S,3R,6S)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2,5-difluorophenyl)urea
1-[(2S,3S,6R)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2,5-difluorophenyl)urea
1-[(2S,3R,6R)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(2,5-difluorophenyl)urea
1-[(2S,3S,6S)-6-[2-(4-cyclopropyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(2,5-difluorophenyl)urea
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-(2-methoxyethyl)acetamide
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-(2-methoxyethyl)acetamide
(3S,6aR,8S,10aR)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
N-[2-[(2R,5S,6R)-5-[[(2-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclohexanecarboxamide
N-[2-[(2S,5R,6R)-5-[[(2-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclohexanecarboxamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyridinecarboxamide
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyridinecarboxamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyridinecarboxamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyridinecarboxamide
N-[(3-fluorophenyl)methyl]-2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-[(3-fluorophenyl)methyl]-2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
2-[(1S,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-(2-methoxyethyl)acetamide
(3R,6aS,8S,10aS)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
[(1R)-7-methoxy-2-[(3-methoxyphenyl)methyl]-1,9-dimethyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol
[(1R)-7-methoxy-2-[(2-methoxyphenyl)methyl]-1,9-dimethyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol
(6R,7R,8S)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
N-[2-[(2S,5R,6S)-5-[[(2-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclohexanecarboxamide
N-[2-[(2R,5R,6R)-5-[[(2-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclohexanecarboxamide
N-[2-[(2R,5S,6S)-5-[[(2-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclohexanecarboxamide
1-[(2R,3S,6R)-6-[2-(4-cyclopropyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2,5-difluorophenyl)urea
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-phenyl-1-triazolyl)ethyl]-3-oxanyl]-2-(2-pyridinyl)acetamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyridinecarboxamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyridinecarboxamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyridinecarboxamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(phenylmethyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyridinecarboxamide
N-[(3-fluorophenyl)methyl]-2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-[(3-fluorophenyl)methyl]-2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-[(3-fluorophenyl)methyl]-2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-[(3-fluorophenyl)methyl]-2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
N-[(3-fluorophenyl)methyl]-2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[2-(4-morpholinyl)-1-oxoethyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetamide
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-(2-methoxyethyl)acetamide
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-(2-methoxyethyl)acetamide
(3R,6aS,8R,10aS)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3S,6aS,8S,10aS)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(3R,6aR,8S,10aR)-8-[2-(dimethylamino)-2-oxoethyl]-3-hydroxy-N-(3-methoxyphenyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
(1R,9S,10S,11S)-12-acetyl-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-5-[(E)-2-phenylethenyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
[(1S)-7-methoxy-2-[(3-methoxyphenyl)methyl]-1,9-dimethyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol
[(1S)-7-methoxy-2-[(2-methoxyphenyl)methyl]-1,9-dimethyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol
(6S,7R,8S)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8R)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8R)-8-(hydroxymethyl)-4-[4-oxanyl(oxo)methyl]-7-[4-(3-pyridinyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
1-Chloro-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol
(1R,9S,10S,11S)-N-ethyl-10-(hydroxymethyl)-6-oxo-5-[(Z)-2-phenylethenyl]-12-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(1R,9S,10S,11S)-12-ethyl-10-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-5-[(Z)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(1R,9S,10S,11S)-12-ethyl-10-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-5-[(Z)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(1S,9R,10R,11R)-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-12-(2-phenylethyl)-5-[(Z)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(2-{4-[3-(2-Chloroethyl)-2,3-diphenyloxiran-2-yl]phenoxy}ethyl)dimethylamine
(1S,9R,10R,11R)-12-ethyl-10-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-5-[(Z)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(1S,9R,10R,11R)-12-ethyl-10-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-5-[(Z)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(1R,9S,10S,11S)-10-(hydroxymethyl)-N,N-dimethyl-6-oxo-12-(2-phenylethyl)-5-[(Z)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(E,8R)-8-[(2R,3R,5R,6S)-3-hydroxy-5-(4-hydroxybenzoyl)oxy-6-methyloxan-2-yl]oxynon-2-enoate
2-[[(4E,8E)-2-acetamido-3-hydroxydodeca-4,8-dienoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Givinostat
C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
Mopidamol
C471 - Enzyme Inhibitor > C2019 - Dihydropyrimidine Dehydrogenase Inhibitor D000970 - Antineoplastic Agents
LEI-401
LEI-401 is a first-in-class, selective, and CNS-active NAPE-PLD (N-acylphosphatidylethanolamine phospholipase D) inhibitor, with an IC50 of 27 nM. LEI-401 modulates emotional behavior in mice[1].
TAK-071
TAK-071 is a novel, potent and highly selective muscarinic acetylcholine receptor 1 (M1R) positive allosteric modulator. EC50 of TAK-071 M1R agonist activities is 520 nM[1].
1,4-dihydroxy-3-[(2r,3r,5z)-3-methyl-5-[(2e,4e)-6-methylocta-2,4-dien-1-ylidene]oxan-2-yl]-5-phenylpyridin-2-one
4-(6-{6,7-dihydroxy-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]nonan-3-yl}-1-hydroxy-4-methylhepta-2,4-dien-1-ylidene)-5-hydroxy-2h-pyrrol-3-one
(2e)-n-[2-(4-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-3-hydroxyphenyl)ethyl]-3-methanesulfonylprop-2-enimidic acid
(4r,5r,6r,10z,14e)-5,13-dihydroxy-4,6,10,14-tetramethyl-15-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-diene-3,7-dione
(1r,4z,8e,10z,12s,15r,17r)-17-hydroxy-17-[(4s)-2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl]-5,12-dimethyl-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-3-one
11-ethyl-8,9-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-18-one
n-(2-{4-[(3s)-3-(5,5-dimethyl-4-oxofuran-2-yl)butoxy]phenyl}ethyl)-3-[(r)-methanesulfinyl]propanimidic acid
(1s,3r)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
20-butoxy-17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁴,¹⁹]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaene
1,4-dihydroxy-3-[(2r,3r,5z)-3-methyl-5-[(2e,4e,6s)-6-methylocta-2,4-dien-1-ylidene]oxan-2-yl]-5-phenylpyridin-2-one
(4r,5r,6r,10z,13s,14e)-5,13-dihydroxy-4,6,10,14-tetramethyl-15-(2-methyl-1,3-thiazol-4-yl)pentadeca-10,14-diene-3,7-dione
(1r,2s,3s,6r,7s,14s)-7-ethyl-1-hydroxy-3-methyl-14-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-5-oxa-13-azatricyclo[11.2.1.0²,⁶]hexadecane-4,8,16-trione
(2e,4e,6r)-n-[(1's,2r,3'r,4s,5r,5'r,6'r,7's)-5,6'-dihydroxy-4',8'-dioxaspiro[oxolane-2,2'-tricyclo[5.1.0.0³,⁵]octan]-4-yl]-4,6-dimethyldodeca-2,4-dienimidic acid
(2e)-n-[(1's,3'r,4s,5r,5's,7'r)-5-hydroxy-6'-oxo-4',8'-dioxaspiro[oxolane-2,2'-tricyclo[5.1.0.0³,⁵]octan]-4-yl]-4,6-dimethyldodec-2-enimidic acid
(1s,3r)-5-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-6-methoxy-1,2,3-trimethyl-3,4-dihydro-1h-isoquinolin-8-ol
17-hydroxy-17-(2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl)-5,12-dimethyl-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-3-one
1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-6,8,10-trimethyldodeca-2,4,6-trien-1-one
ancistrobertsonine a
{"Ingredient_id": "HBIN015984","Ingredient_name": "ancistrobertsonine a","Alias": "NA","Ingredient_formula": "C26H31NO4","Ingredient_Smile": "CC1CC2=C(C(=CC(=C2C(N1C)C)OC)O)C3=C4C=C(C=C(C4=C(C=C3)OC)OC)C","Ingredient_weight": "421.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "19528;21540","PubChem_id": "15840195","DrugBank_id": "NA"}
β-hydroxygerambullin
{"Ingredient_id": "HBIN018157","Ingredient_name": "\u03b2-hydroxygerambullin","Alias": "NA","Ingredient_formula": "C22H31NO5S","Ingredient_Smile": "CC(=CCCC(=CCOC1=CC=C(C=C1)C(CNC(=O)C=CS(=O)(=O)C)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10138","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}