Exact Mass: 421.1925
Exact Mass Matches: 421.1925
Found 500 metabolites which its exact mass value is equals to given mass value 421.1925
,
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
Topotecan
Topotecan is only found in individuals that have used or taken this drug. It is an antineoplastic agent used to treat ovarian cancer. It works by inhibiting DNA topoisomerases, type I. [PubChem]Topotecan has the same mechanism of action as irinotecan and is believed to exert its cytotoxic effects during the S-phase of DNA synthesis. Topoisomerase I relieves torsional strain in DNA by inducing reversible single strand breaks. Topotecan binds to the topoisomerase I-DNA complex and prevents religation of these single strand breaks. This ternary complex interferes with the moving replication fork, which leads to the induction of replication arrest and lethal double-stranded breaks in DNA. As mammalian cells cannot efficiently repair these double strand breaks, the formation of this ternary complex eventually leads to apoptosis (programmed cell death).Topotecan mimics a DNA base pair and binds at the site of DNA cleavage by intercalating between the upstream (−1) and downstream (+1) base pairs. Intercalation displaces the downstream DNA, thus preventing religation of the cleaved strand. By specifically binding to the enzyme–substrate complex, Topotecan acts as an uncompetitive inhibitor. Topotecan is a pyranoindolizinoquinoline used as an antineoplastic agent. It is a derivative of camptothecin and works by binding to the topoisomerase I-DNA complex and preventing religation of these 328 single strand breaks. It has a role as an EC 5.99.1.2 (DNA topoisomerase) inhibitor and an antineoplastic agent. An antineoplastic agent used to treat ovarian cancer. It works by inhibiting DNA topoisomerases, type I. Topotecan is a Topoisomerase Inhibitor. The mechanism of action of topotecan is as a Topoisomerase Inhibitor. Topotecan is a semisynthetic derivative of camptothecin, a cytotoxic, quinoline-based alkaloid extracted from the Asian tree Camptotheca acuminata. Topotecan inhibits topoisomerase I activity by stabilizing the topoisomerase I-DNA covalent complexes during S phase of cell cycle, thereby inhibiting religation of topoisomerase I-mediated single-strand DNA breaks and producing potentially lethal double-strand DNA breaks when encountered by the DNA replication machinery. An antineoplastic agent used to treat ovarian cancer. It works by inhibiting DNA TOPOISOMERASES, TYPE I. See also: Topotecan Hydrochloride (active moiety of). L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01C - Plant alkaloids and other natural products > L01CE - Topoisomerase 1 (top1) inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D004791 - Enzyme Inhibitors Same as: D08618 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
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.
Pitavastatin
Most statins are metabolised in part by one or more hepatic cytochrome P450 enzymes, leading to an increased potential for drug interactions and problems with certain foods (such as grapefruit juice). Pitavastatin appears to be a substrate of CYP2C9, and not CYP3A4 (which is a common source of interactions in other statins). As a result, pitavastatin is less likely to interact with drugs that are metabolized via CYP3A4, which might be important for elderly patients who need to take multiple medicines. Pitavastatin (usually as a calcium salt) is a member of the medication class of statins, marketed in the United States under the trade name Livalo. Like other statins, it is an inhibitor of HMG-CoA reductase, the enzyme that catalyses the first step of cholesterol synthesis. It has been available in Japan since 2003, and is being marketed under licence in South Korea and in India. It is likely that pitavastatin will be approved for use in hypercholesterolaemia (elevated levels of cholesterol in the blood) and for the prevention of cardiovascular disease outside South and Southeast Asia as well. C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AA - Hmg coa reductase inhibitors D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C1655 - HMG-CoA Reductase Inhibitor D009676 - Noxae > D000963 - Antimetabolites Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Pitavastatin (NK-104) is a potent hydroxymethylglutaryl-CoA (HMG-CoA) reductase inhibitor. Pitavastatin inhibits cholesterol synthesis from acetic acid with an IC50 of 5.8 nM in HepG2 cells. Pitavastatin is an efficient hepatocyte low-density lipoprotein-cholesterol (LDL-C) receptor inducer. Pitavastatin also possesses anti-atherosclerotic, anti-asthmatic, anti-osteoarthritis, antineoplastic, neuroprotective, hepatoprotective and reno-protective effects[1][2][3][8].
(3R,5S)-7-[2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
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
Sufotidine
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
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
Pitavastatin
C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AA - Hmg coa reductase inhibitors D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C1655 - HMG-CoA Reductase Inhibitor D009676 - Noxae > D000963 - Antimetabolites Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Pitavastatin (NK-104) is a potent hydroxymethylglutaryl-CoA (HMG-CoA) reductase inhibitor. Pitavastatin inhibits cholesterol synthesis from acetic acid with an IC50 of 5.8 nM in HepG2 cells. Pitavastatin is an efficient hepatocyte low-density lipoprotein-cholesterol (LDL-C) receptor inducer. Pitavastatin also possesses anti-atherosclerotic, anti-asthmatic, anti-osteoarthritis, antineoplastic, neuroprotective, hepatoprotective and reno-protective effects[1][2][3][8].
Topotecan
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01C - Plant alkaloids and other natural products > L01CE - Topoisomerase 1 (top1) inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Ala Ala Phe Asn
Ala Ala Asn Phe
Ala Cys Lys Thr
Ala Cys Gln Thr
Ala Cys Thr Lys
Ala Cys Thr Gln
Ala Phe Ala Asn
Ala Phe Gly Gln
Ala Phe Asn Ala
Ala Phe Gln Gly
Ala Gly Phe Gln
Ala Gly Gln Phe
Ala Lys Cys Thr
Ala Lys Thr Cys
Ala Met Asn Ser
Ala Met Ser Asn
Ala Asn Ala Phe
Ala Asn Phe Ala
Ala Asn Met Ser
Ala Asn Ser Met
Ala Gln Cys Thr
Ala Gln Phe Gly
Ala Gln Gly Phe
Ala Gln Thr Cys
Ala Ser Met Asn
Ala Ser Asn Met
Ala Thr Cys Lys
Ala Thr Cys Gln
Ala Thr Lys Cys
Ala Thr Gln Cys
Cys Ala Lys Thr
Cys Ala Gln Thr
Cys Ala Thr Lys
Cys Ala Thr Gln
Cys Asp Gly Lys
Cys Asp Lys Gly
Cys Gly Asp Lys
Cys Gly Lys Asp
Cys Gly Arg Ser
Cys Gly Ser Arg
Cys Lys Ala Thr
Cys Lys Asp Gly
Cys Lys Gly Asp
Cys Lys Thr Ala
Cys Asn Ser Val
Cys Asn Val Ser
Cys Gln Ala Thr
Cys Gln Thr Ala
Cys Arg Gly Ser
Cys Arg Ser Gly
Cys Ser Gly Arg
Cys Ser Asn Val
Cys Ser Arg Gly
Cys Ser Val Asn
Cys Thr Ala Lys
Cys Thr Ala Gln
Cys Thr Lys Ala
Cys Thr Gln Ala
Cys Val Asn Ser
Cys Val Ser Asn
Asp Cys Gly Lys
Asp Cys Lys Gly
Asp Gly Cys Lys
Asp Gly Lys Cys
Asp Lys Cys Gly
Asp Lys Gly Cys
Phe Ala Ala Asn
Phe Ala Gly Gln
Phe Ala Asn Ala
Phe Ala Gln Gly
Phe Gly Ala Gln
Phe Gly Gln Ala
Phe Asn Ala Ala
Phe Gln Ala Gly
Phe Gln Gly Ala
Gly Ala Phe Gln
Gly Ala Gln Phe
Gly Cys Asp Lys
Gly Cys Lys Asp
Gly Cys Arg Ser
Gly Cys Ser Arg
Gly Asp Cys Lys
Gly Asp Lys Cys
Gly Phe Ala Gln
Gly Phe Gln Ala
Gly Lys Cys Asp
Gly Lys Asp Cys
Gly Lys Met Ser
Gly Lys Ser Met
Gly Met Lys Ser
Gly Met Asn Thr
Gly Met Gln Ser
Gly Met Ser Lys
Gly Met Ser Gln
Gly Met Thr Asn
Gly Asn Met Thr
Gly Asn Thr Met
Gly Gln Ala Phe
Gly Gln Phe Ala
Gly Gln Met Ser
Gly Gln Ser Met
Gly Arg Cys Ser
Gly Arg Ser Cys
Gly Ser Cys Arg
Gly Ser Lys Met
Gly Ser Met Lys
Gly Ser Met Gln
Gly Ser Gln Met
Gly Ser Arg Cys
Gly Thr Met Asn
Gly Thr Asn Met
Lys Ala Cys Thr
Lys Ala Thr Cys
Lys Cys Ala Thr
Lys Cys Asp Gly
Lys Cys Gly Asp
Lys Cys Thr Ala
Lys Asp Cys Gly
Lys Asp Gly Cys
Lys Gly Cys Asp
Lys Gly Asp Cys
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 Ala Asn Ser
Met Ala Ser Asn
Met Gly Lys Ser
Met Gly Asn Thr
Met Gly Gln Ser
Met Gly Ser Lys
Met Gly Ser Gln
Met Gly Thr Asn
Met Lys Gly Ser
Met Lys Ser Gly
Met Asn Ala Ser
Met Asn Gly Thr
Met Asn Ser Ala
Met Asn Thr Gly
Met Gln Gly Ser
Met Gln Ser Gly
Met Ser Ala Asn
Met Ser Gly Lys
Met Ser Gly Gln
Met Ser Lys Gly
Met Ser Asn Ala
Met Ser Gln Gly
Met Thr Gly Asn
Met Thr Asn Gly
Asn Ala Ala Phe
Asn Ala Phe Ala
Asn Ala Met Ser
Asn Ala Ser Met
Asn Cys Ser Val
Asn Cys Val Ser
Asn Phe Ala Ala
Asn Gly Met Thr
Asn Gly Thr Met
Asn Met Ala Ser
Asn Met Gly Thr
Asn Met Ser Ala
Asn Met Thr Gly
Asn Ser Ala Met
Asn Ser Cys Val
Asn Ser Met Ala
Asn Ser Thr Thr
Asn Ser Val Cys
Asn Thr Gly Met
Asn Thr Met Gly
Asn Thr Ser Thr
Asn Thr Thr Ser
Asn Val Cys Ser
Asn Val Ser Cys
Gln Ala Cys Thr
Gln Ala Phe Gly
Gln Ala Gly Phe
Gln Ala Thr Cys
Gln Cys Ala Thr
Gln Cys Thr Ala
Gln Phe Ala Gly
Gln Phe Gly Ala
Gln Gly Ala Phe
Gln Gly Phe Ala
Gln Gly Met Ser
Gln Gly Ser Met
Gln Met Gly Ser
Gln Met Ser Gly
Gln Ser Gly Met
Gln Ser Met Gly
Gln Ser Ser Thr
Gln Ser Thr Ser
Gln Thr Ala Cys
Gln Thr Cys Ala
Gln Thr Ser Ser
Arg Cys Gly Ser
Arg Cys Ser Gly
Arg Gly Cys Ser
Arg Gly Ser Cys
Arg Ser Cys Gly
Arg Ser Gly Cys
Ser Ala Met Asn
Ser Ala Asn Met
Ser Cys Gly Arg
Ser Cys Asn Val
Ser Cys Arg Gly
Ser Cys Val Asn
Ser Gly Cys Arg
Ser Gly Lys Met
Ser Gly Met Lys
Ser Gly Met Gln
Ser Gly Gln Met
Ser Gly Arg Cys
Ser Lys Gly Met
Ser Lys Met Gly
Ser Lys Ser Thr
Ser Lys Thr Ser
Ser Met Ala Asn
Ser Met Gly Lys
Ser Met Gly Gln
Ser Met Lys Gly
Ser Met Asn Ala
Ser Met Gln Gly
Ser Asn Ala Met
Ser Asn Cys Val
Ser Asn Met Ala
Ser Asn Thr Thr
Ser Asn Val Cys
Ser Gln Gly Met
Ser Gln Met Gly
Ser Gln Ser Thr
Ser Gln Thr Ser
Ser Arg Cys Gly
Ser Arg Gly Cys
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
Ser Val Cys Asn
Ser Val Asn Cys
Thr Ala Cys Lys
Thr Ala Cys Gln
Thr Ala Lys Cys
Thr Ala Gln Cys
Thr Cys Ala Lys
Thr Cys Ala Gln
Thr Cys Lys Ala
Thr Cys Gln Ala
Thr Gly Met Asn
Thr Gly Asn Met
Thr Lys Ala Cys
Thr Lys Cys Ala
Thr Lys Ser Ser
Thr Met Gly Asn
Thr Met Asn Gly
Thr Asn Gly Met
Thr Asn Met Gly
Thr Asn Ser Thr
Thr Asn Thr Ser
Thr Gln Ala Cys
Thr Gln Cys Ala
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
Val Cys Asn Ser
Val Cys Ser Asn
Val Asn Cys Ser
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].
Choline Fenofibrate
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain > C10AB - Fibrates
Spiro[7H-benzo[c]xanthene-7,1(3H)-isobenzofuran]-3-one,10-(diethylamino)-
but-3-yn-2-yl N-(3-chlorophenyl)carbamate,3-cyclooctyl-1,1-dimethylurea
(3R,5R,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid
(3S,5S,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid
(E,3S,5R)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
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
9-(diethylamino)spiro[2-benzofuran-3,12-benzo[a]xanthene]-1-one
(S)-2-(4-(1-(tert-butoxycarbonyl)piperidin-3-yl)phenyl)-2H-indazole-7-carboxylicacid
(3R,5R,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic Acid CalciuM Salt
CCT251545
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
(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
7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid
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
7-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylic acid ethyl ester
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.
3-[(1,1-Dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid [2-(cyclooctylamino)-2-oxoethyl] ester
(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
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
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-[(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
1-[(1S)-1-(hydroxymethyl)-7-methoxy-1-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-1-butanone
(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
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
1-[(1R)-1-(hydroxymethyl)-7-methoxy-1-methylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-1-butanone
(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
(2-{4-[3-(2-Chloroethyl)-2,3-diphenyloxiran-2-yl]phenoxy}ethyl)dimethylamine
(E,8R)-8-[(2R,3R,5R,6S)-3-hydroxy-5-(4-hydroxybenzoyl)oxy-6-methyloxan-2-yl]oxynon-2-enoate
Givinostat
C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3,4:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
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].
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
(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
n-(2-{4-[(3s)-3-(5,5-dimethyl-4-oxofuran-2-yl)butoxy]phenyl}ethyl)-3-[(r)-methanesulfinyl]propanimidic acid
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
(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
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
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"}