Exact Mass: 348.0764462
Exact Mass Matches: 348.0764462
Found 406 metabolites which its exact mass value is equals to given mass value 348.0764462,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Camptothecin
Camptothecin is a pyranoindolizinoquinoline that is pyrano[3,4:6,7]indolizino[1,2-b]quinoline which is substituted by oxo groups at positions 3 and 14, and by an ethyl group and a hydroxy group at position 4 (the S enantiomer). It has a role as an EC 5.99.1.2 (DNA topoisomerase) inhibitor, an antineoplastic agent, a genotoxin and a plant metabolite. It is a pyranoindolizinoquinoline, a tertiary alcohol, a delta-lactone and a quinoline alkaloid. Camptothecin is an alkaloid isolated from the stem wood of the Chinese tree, Camptotheca acuminata. This compound selectively inhibits the nuclear enzyme DNA topoisomerase, type I. Several semisynthetic analogs of camptothecin have demonstrated antitumor activity. Camptothecin is a natural product found in Archidendron lucidum, Merrilliodendron megacarpum, and other organisms with data available. Camptothecin is an alkaloid isolated from the Chinese tree Camptotheca acuminata, with antineoplastic activity. During the S phase of the cell cycle, camptothecin selectively stabilizes topoisomerase I-DNA covalent complexes, 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. (NCI) An alkaloid isolated from the stem wood of the Chinese tree, Camptotheca acuminata. This compound selectively inhibits the nuclear enzyme DNA TOPOISOMERASES, TYPE I. Several semisynthetic analogs of camptothecin have demonstrated antitumor activity. A pyranoindolizinoquinoline that is pyrano[3,4:6,7]indolizino[1,2-b]quinoline which is substituted by oxo groups at positions 3 and 14, and by an ethyl group and a hydroxy group at position 4 (the S enantiomer). Camptothecin (CPT), a kind of alkaloid, is a DNA topoisomerase I (Topo I) inhibitor with an IC50 of 679 nM[1]. Camptothecin (CPT) exhibits powerful antineoplastic activity against colorectal, breast, lung and ovarian cancers, modulates hypoxia-inducible factor-1α (HIF-1α) activity by changing microRNAs (miRNA) expression patterns in human cancer cells[2][3]. Camptothecin (CPT), a kind of alkaloid, is a DNA topoisomerase I (Topo I) inhibitor with an IC50 of 679 nM[1]. Camptothecin (CPT) exhibits powerful antineoplastic activity against colorectal, breast, lung and ovarian cancers, modulates hypoxia-inducible factor-1α (HIF-1α) activity by changing microRNAs (miRNA) expression patterns in human cancer cells[2][3].
Inosine 5'-monophosphate (IMP)
Inosinic acid, also known as inosine monophosphate, IMP, 5-inosinate or 5-IMP, belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached. IMP is also classified as a nucleotide (a nucleoside monophosphate). Inosinic acid exists in all living species, ranging from bacteria to plants to humans. IMP is widely used as a flavor enhancer. In the food industry it is known as E number reference E630. Inosinic acid can be converted into various salts including disodium inosinate (E631), dipotassium inosinate (E632), and calcium inosinate (E633). These three inosinate compounds are used as flavor enhancers for the basic taste umami. These inosinate salts are mostly used in soups, sauces, and seasonings for the intensification and balance of the flavor of meat. Inosinic acid is typically obtained from chicken byproducts or other meat industry waste. Inosinic acid or IMP is important in metabolism. It is the ribonucleotide of hypoxanthine and the first nucleotide formed during the synthesis of purine nucleotides. It can also be formed by the deamination of adenosine monophosphate by AMP deaminase. GMP is formed by the inosinate oxidation to xanthylate (XMP). Within humans, inosinic acid participates in a number of enzymatic reactions. In particular, inosinic acid can be converted into phosphoribosyl formamidocarboxamide; which is catalyzed by the bifunctional purine biosynthesis protein. In addition, inosinic acid can be converted into xanthylic acid; which is catalyzed by the enzyme inosine-5-monophosphate dehydrogenase 1. Origin: Microbe; Formula(Parent): C10H13N4O8P; Bottle Name:Inosine-5-monophosphate; PRIME Parent Name:Inosine-5-monophosphate; PRIME in-house No.:0258, Purines A purine nucleotide which has hypoxanthine as the base and one phosphate group esterified to the sugar moiety. COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials, COVID-19 Disease Map Acquisition and generation of the data is financially supported in part by CREST/JST. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.056 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.057 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Inosinic acid is an endogenous metabolite.
Chelerythrine
Chelerythrine is a benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae. It has a role as an EC 2.7.11.13 (protein kinase C) inhibitor, an antibacterial agent and an antineoplastic agent. It is a benzophenanthridine alkaloid and an organic cation. A benzophenanthridine alkaloid evaluated as a kinase-inhibitor. Chelerythrine is a natural product found in Zanthoxylum fagara, Zanthoxylum mayu, and other organisms with data available. Chelerythrine is a benzophenanthridine alkaloid extracted from the plant Greater celandine (Chelidonium majus). It is a potent, selective, and cell-permeable protein kinase C inhibitor. See also: Sanguinaria canadensis root (part of); Chelidonium majus flowering top (part of). A benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000970 - Antineoplastic Agents
2-O-(6-Phospho-alpha-mannosyl)-D-glycerate
2-O-(6-Phospho-alpha-mannosyl)-D-glycerate is an alpha-D-mannosylglycerate (MG) that is an intermediate in 2-O-alpha-mannosyl-D-glycerate degradation. It can be generated from 2-O-alpha-mannosyl-D-glycerate via the enzyme 2-O-alpha-mannosyl-D-glycerate transporting phosphotransferase system (mngA). 2-O-Alpha-mannosyl-D-glycerate is a natural extremolyte identified in microorganisms growing under extremely high temperatures up to 100 oC, and had been shown to protect proteins against various stress conditions such as heat, freezing, thawing, and drying. MG that is naturally occurring hyperthermophilic osmolytes, could be potential drug candidates or lead compounds against alpha,beta aggregation associated with Alzheimers disease(PMID: 18304694). In most organisms MG is produced from guanosine pyrophosphate mannose (GDP-alpha-D-mannose) via mannosyl-3-phosphoglycerate in two steps, catalyzed by the enzymes mannosyl-3-phosphoglycerate synthase and mannosyl-3-phosphoglycerate phosphatase. [HMDB] 2-O-(6-Phospho-alpha-mannosyl)-D-glycerate is an alpha-D-mannosylglycerate (MG) that is an intermediate in 2-O-alpha-mannosyl-D-glycerate degradation. It can be generated from 2-O-alpha-mannosyl-D-glycerate via the enzyme 2-O-alpha-mannosyl-D-glycerate transporting phosphotransferase system (mngA). 2-O-Alpha-mannosyl-D-glycerate is a natural extremolyte identified in microorganisms growing under extremely high temperatures up to 100 oC, and had been shown to protect proteins against various stress conditions such as heat, freezing, thawing, and drying. MG that is naturally occurring hyperthermophilic osmolytes, could be potential drug candidates or lead compounds against alpha,beta aggregation associated with Alzheimers disease(PMID: 18304694). In most organisms MG is produced from guanosine pyrophosphate mannose (GDP-alpha-D-mannose) via mannosyl-3-phosphoglycerate in two steps, catalyzed by the enzymes mannosyl-3-phosphoglycerate synthase and mannosyl-3-phosphoglycerate phosphatase.
Doxefazepam
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
1,2,3,4-Tetrahydro-alpha,7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-propanal
alpha-(1,2-Dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde
alpha-(1,2-Dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde is considered to be slightly soluble (in water) and acidic
2-keto-3-deoxy-D-glycero-D-galacto-nononate 9-phosphate
Verinurad
D018501 - Antirheumatic Agents > D006074 - Gout Suppressants C26170 - Protective Agent > C921 - Uricosuric Agent
(2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid
Succisulfone
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent
Torasemide
C16H20N4O3S (348.12560500000006)
Torasemide (rINN) or torsemide (USAN) is a pyridine-sulfonylurea type loop diuretic mainly used in the management of edema associated with congestive heart failure. It is also used at low doses for the management of hypertension. It is marketed under the brand name Demadex. [Wikipedia] D045283 - Natriuretic Agents > D004232 - Diuretics > D049994 - Sodium Potassium Chloride Symporter Inhibitors C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics > C03CA - Sulfonamides, plain C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D049990 - Membrane Transport Modulators
5,7,8-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
Riboflavin reduced
Riboflavin reduced is an intermediate in the metabolism of Porphyrin and chlorophyll. It is a substrate for Flavin reductase.
Inosine 2'-phosphate
Inosine 2-phosphate is an inosine nucleotide containing a pyrophosphate group esterified to C2 of the sugar moiety. Inosine 2-phosphate is a product of 2,3-cyclic-nucleotide 3-phosphodiesterase (EC 3.1.4.37). This enzyme (also called CNP) catalyzes the chemical reaction: nucleoside 2,3-cyclic phosphate + H2O <-> nucleoside 2-phosphate. 2,3-cyclic nucleotide 3-phosphodiesterase is a myelin-associated enzyme that makes up 4\\% of total CNS myelin protein, and is thought to undergo significant age-associated changes. The absence of CNP causes axonal swelling and neuronal degeneration. [HMDB] Inosine 2-phosphate is an inosine nucleotide containing a pyrophosphate group esterified to C2 of the sugar moiety. Inosine 2-phosphate is a product of 2,3-cyclic-nucleotide 3-phosphodiesterase (EC 3.1.4.37). This enzyme (also called CNP) catalyzes the chemical reaction: nucleoside 2,3-cyclic phosphate + H2O <-> nucleoside 2-phosphate. 2,3-cyclic nucleotide 3-phosphodiesterase is a myelin-associated enzyme that makes up 4\\% of total CNS myelin protein, and is thought to undergo significant age-associated changes. The absence of CNP causes axonal swelling and neuronal degeneration.
20R-Camptothecin
5-Chloro-N2-[1-(5-fluoro-2-pyrimidinyl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
Clofop-isobutyl
C19H21ClO4 (348.11282960000005)
Dansylproline
C17H20N2O4S (348.11437200000006)
Equilin sulfate
C18H20O5S (348.10313900000006)
Glucose-6-phosphate lactate
N-[1-(2-Cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl]glycine
C17H17FN2O5 (348.11214440000003)
GSK360A is a potent and orally active HIF-PHD inhibitor with IC50 values of 10, 100, and 126 nM for PHD1, PHD2, and PHD3, respectively. GSK360A activates the HIF-1 alpha pathway and protect the failing heart after myocardial infarction (MI) [1].
PI-103
C19H16N4O3 (348.12223459999996)
PI-103 is a potent PI3K and mTOR inhibitor with IC50s of 8 nM, 88 nM, 48 nM, 150 nM, 20 nM, and 83 nM for p110α, p110β, p110δ, p110γ, mTORC1, and mTORC2. PI-103 also inhibits DNA-PK with an IC50 of 2 nM. PI-103 induces autophagy[1][2][3][4]. PI-103 is a potent PI3K and mTOR inhibitor with IC50s of 8 nM, 88 nM, 48 nM, 150 nM, 20 nM, and 83 nM for p110α, p110β, p110δ, p110γ, mTORC1, and mTORC2. PI-103 also inhibits DNA-PK with an IC50 of 2 nM. PI-103 induces autophagy[1][2][3][4].
Relebactam
C12H20N4O6S (348.11035000000004)
[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
Flavour enhancer
Cloxazolam, (R)-
N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Verinurad
D018501 - Antirheumatic Agents > D006074 - Gout Suppressants C26170 - Protective Agent > C921 - Uricosuric Agent
8-Demethylthymonin
8-demethylthymonin is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. 8-demethylthymonin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 8-demethylthymonin can be found in common thyme, which makes 8-demethylthymonin a potential biomarker for the consumption of this food product.
Dehydrocavidine
Benzo(a)-1,3-benzodioxolo(4,5-g)quinolizinium, 8,9-dimethoxy-6-methyl- is a natural product found in Fumaria capreolata, Fumaria indica, and other organisms with data available.
Taiwanin C
A furonaphthodioxole that is furo[3,4:6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one substituted by a 1,3-benzodioxol-5-yl group at position 5. It is a naturally occurring lignan extracted from Taiwania cryptomerioides and found to be a potential inhibitor of COX2 expression.
Helioxanthin
A furonaphthodioxole that is furo[3,4:6,7]naphtho[1,2-d][1,3]dioxol-7(9H)-one substituted by a 1,3-benzodioxol-5-yl group at posiiton 10. It is a inhibitor of HBV, HCV and HSV-1 viruses.
2H-Naphtho[2,3-b]pyran-6,9-dione,3,4-dihydro-4,5,10-trihydroxy-8-methoxy-2-(2-oxopropyl)-,(2R,4S)-
5,8-Dimethoxy-3-(3-methyl-2,3-dihydroxybutyl)-psoralen
2-(1,1-Dimethyl-2-propenyl)-3-[2-(methylformylamino)ethyl]-6-bromo-1H-indole
Dryopteric acid
6,6-Dimethyl-3,4-methylenedioxypyrano[2,3:7,8]flavone
2-[(4-Chlorophenyl)sulfonyl]-3-[(4,6-dimethylpyrimidin-2-yl)amino]acrylonitrile
C15H13ClN4O2S (348.04477080000004)
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]acetamide
O1-[4-(tert-Butyl)benzoyl]-2-(2-thienylthio)ethanehydroximamide
3(2-Chlorophenyl)-7-hydroxy-4-phenylcoumarin
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.266 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.265 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.268
3-Benzyloxy-2-phenyl-benzo[b]thiophen-1,1-dioxid|3-benzyloxy-2-phenyl-benzo[b]thiophene 1,1-dioxide
18-Bromo-(17Z)-octadeca-17-ene-5,7,15-triynoic acid
3,5-dihydroxybiphenyl-4-C-beta-glucopyranoside|calophymembranside A
1-Hydroxy,1-Me ether-8-Ethyl-1,11-dihydroxy-5,12-naphthacenedione|11-deoxybisanhydro-13-dihydrodaunomycinone
4-[alpha-(Hydroxymethyl)-4,beta-dihydroxy-3-methoxyphenethyloxy]-3-methoxybenzaldehyde
Isobutyric acid (2,2:5,2-terthiophen-5-yl)methyl ester
(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl 4-methylbenzenesulfonate
C14H20O8S (348.08788400000003)
1,3-Dihydroxy-2,4,5,7-tetramethoxy-9H-xanthene-9-one
(4R)-7c,8c-Diaethyl-9t-hydroxy-4-methyl-cycloonna-1,5-dien-1,2,4r,5-tetracarbonsaeure-1,2;4,5-dianhydrid|(4R)-7c,8c-diethyl-9t-hydroxy-4-methyl-cyclonona-1,5-diene-1,2,4r,5-tetracarboxylic acid-1,2;4,5-dianhydride|Glauconic acid|Glauconsaeure
(5S*,6R*,7S*)-5,6,7-trihydroxy-2-(3-hydroxy-4-methoxyphenethyl)-5,6,7,8-tetrahydro-4H-chromen-4-one
5-acetoxymethylen-2-(4-acetoxy-but-3-inyl)-dithiophene|5-acetoxymethylen-2-<4-acetoxy-but-3-inyl>-dithiophene|Di-Ac-4-[5-(Hydroxymethyl)-[2,2-bithiophen-5-yl]]-3-butyn-1-ol
4-ethyl 4-methyl 2,3,5,6-tetrahydroxy[1,1-biphenyl]-4,4-dicarboxylate
Di-Ac-4-[5-Methyl-[2,2-bithiophen]-5-yl]-3-butyne-1,2-diol
3-Methyl 2-butenoic acid 2-(6-acetyl-5-hydroxybenzofuran-2-yl)-2,3-dihydroxypropyl ester
Isobyak-angelicolsaeuremethylester|Isobyakangelicolsaeuremethylester
2-(4-hydroxy-3-methoxy-phenyl)-5,7-dimethoxy-chroman-3,4-diol
15-O-desmethyl-(5Z)-7-oxo-zeaenol|15-O-desmethyl-5Z-7-oxozeaenol
crassifogenin C
A norlignan that is 3-deoxypentodialdo-5,4-oxirose substituted at positions 1 and 4 by 3,4-dihydroxyphenyl groups. It is isolated from the rhizomes of Curculigo crassifolia and exhibits strong radical scavenging activity.
(1R*,5S*,9S*,13R*,14R*)-11,14,16-trihydroxy-10,17-dimethyl-3,7-dioxapentacyclo[11.4.0.01,5.05,9.09,14]heptadeca-10,16-diene-4,12,15-trione|epicolactone
(3R)-7,1?4-trihydroxy-6,2?3-trimethoxyisoflavan|abruquinone L
(5R,6R)-6-{2-[(1E)-1-(5-chloro-1H-pyrrol-2-yl)prop-1-en-2-yl]-1,3-oxazol-4-yl}-4-methoxy-5-methyl-5,6-dihydro-2H-pyran-2-one|pyrronazol B
4-Methoxyagarotetrol
methyl (R)-3-[2-(3,4-dihydroxybenzoyl)-4,5-dihydroxyphenyl]-2-hydroxypropanoate
5-hydroxy-2-isopropenyl-3-methoxyfurane-(2,3:7,8)-flavone
(4RS,9bSR)-2,4,5,9b-tetrahydro-7,9,9b-trimethoxy-3-methyl-5-oxonaphtho[1,2-b]furan-4-yl acetate|colelomycerone B
6,7-Dimethoxy-8-(1-acetoxy-3-methyl-2-oxobutyl)-2H-1-benzopyran-2-one
(8beta)-10-bromo-3-chloro-2,7-epoxychamigr-9-en-8-ol|rel-(2R,3S,5aR,9S,9aR)-7-bromo-3-chloro-2,3,4,5,9,9a-hexahydro-3,6,6,9a-tetramethyl-6H-2,5a-methano-1-benzoxepin-9-ol
3beta-(3,5-dihydroxyphenyl)-2alpha-(4-hydroxyphenyl)dihydrobenzofuran-5-carbaldehyde
(3S,4S,5R,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate
5-methyl-[5-(3-hydroxy-4-isovaleroxy-1-butynyl)]-2,2-bithiophene
C18H20O3S2 (348.08538100000004)
9alpha-hydroxy-8beta-methacryloyloxy-14-oxo-acanthospermolide-4alpha,5beta-epoxide
(7E,13E,17E)-form-18-Bromo-7,13,17-octadecatriene-5,15-diynoic acid
2-Methyl-7-(2-methyl-4,6-dihydroxybenzoyl)naphtho[1,8-bc]pyran-8-ol
1-Hydroxy-3-methyl-8,10-dimethoxy-9-chlorodibenz[b,e]oxepin-6,11-dione
4,9-Dimethoxy-6-(2,3-dihydroxy-3-methylbutyl)-7H-furo[3,2-g][1]benzopyran-7-one
Chaetocyclinone A
An organic heterotricyclic compound that is 1H,10H-pyrano[4,3-b]chromene substituted by methoxy, methyl, hydroxy, methoxy, methoxycarbonyl, and oxo groups at positions 1, 3, 6, 7, 9 and 10, respectively. It is produced by cultures of Chaetomium sp. Goe 100/2, which was isolated from marine algae.
7-Methoxy-2-phenyl-3-sulfooxy-chromen-4-on|7-methoxy-2-phenyl-3-sulfooxy-chromen-4-one|rhamnocitrin 3-sulphate
Benzo(a)-1,3-benzodioxolo(4,5-g)quinolizinium, 8,9-dimethoxy-6-methyl-
Torsemide
C16H20N4O3S (348.12560500000006)
D045283 - Natriuretic Agents > D004232 - Diuretics > D049994 - Sodium Potassium Chloride Symporter Inhibitors C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics > C03CA - Sulfonamides, plain C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 2365 CONFIDENCE standard compound; INTERNAL_ID 8192 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3145
Campathecin
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.029 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.030 Camptothecin (CPT), a kind of alkaloid, is a DNA topoisomerase I (Topo I) inhibitor with an IC50 of 679 nM[1]. Camptothecin (CPT) exhibits powerful antineoplastic activity against colorectal, breast, lung and ovarian cancers, modulates hypoxia-inducible factor-1α (HIF-1α) activity by changing microRNAs (miRNA) expression patterns in human cancer cells[2][3]. Camptothecin (CPT), a kind of alkaloid, is a DNA topoisomerase I (Topo I) inhibitor with an IC50 of 679 nM[1]. Camptothecin (CPT) exhibits powerful antineoplastic activity against colorectal, breast, lung and ovarian cancers, modulates hypoxia-inducible factor-1α (HIF-1α) activity by changing microRNAs (miRNA) expression patterns in human cancer cells[2][3].
2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid
2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid
5-hydroxy-2-(3-hydroxy-2-methoxycarbonyl-5-methylphenoxy)-3-methoxybenzoic acid
Inosinic acid
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials, COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Inosinic acid is an endogenous metabolite.
2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid [IIN-based: Match]
2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid [IIN-based on: CCMSLIB00000847922]
PI-103
C19H16N4O3 (348.12223459999996)
PI-103 is a potent PI3K and mTOR inhibitor with IC50s of 8 nM, 88 nM, 48 nM, 150 nM, 20 nM, and 83 nM for p110α, p110β, p110δ, p110γ, mTORC1, and mTORC2. PI-103 also inhibits DNA-PK with an IC50 of 2 nM. PI-103 induces autophagy[1][2][3][4]. PI-103 is a potent PI3K and mTOR inhibitor with IC50s of 8 nM, 88 nM, 48 nM, 150 nM, 20 nM, and 83 nM for p110α, p110β, p110δ, p110γ, mTORC1, and mTORC2. PI-103 also inhibits DNA-PK with an IC50 of 2 nM. PI-103 induces autophagy[1][2][3][4].
18-bromo-9E,15E,17E-octadecatrien-5,7-diynoic acid
1,1-Binaphthyl-2,2-diyl hydrogenphosphate
C20H13O4P (348.05514280000006)
4-AMINOPHENYL 2-ACETAMIDO-2-DEOXY-α-D-GALACTOPYRANOSIDE HYDROCHLORIDE
3-(trimethylsilyl)-2-naphthyl trifluoromethanesulfonate
alpha-(4-Methoxybenzoyl)-2-chloro-4-nitroacetanilide
C16H13ClN2O5 (348.05129580000005)
3,4,6-Tri-O-acetyl-b-D-mannopyranose1,2-(methylorthoacetate)
1,6-Dideoxy-1,1-bis(ethylsulfonyl)-L-mannitol
C11H24O8S2 (348.09125439999997)
1-(4-chloro-3-isocyanatobenzenesulfonyl)-1,2,3,4-tetrahydroquinoline
C16H13ClN2O3S (348.0335378000001)
2-methoxy-6-[(4-methylphenyl)sulfonyloxymethyl]oxane-3,4,5-triol
C14H20O8S (348.08788400000003)
(R)-(-)-1,1-Binaphthyl-2,2-diyl hydrogenphosphate
C20H13O4P (348.05514280000006)
(S)-(+)-1,1-Binaphthyl-2,2-diyl hydrogenphosphate
C20H13O4P (348.05514280000006)
Ethyl 2-[4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)phenyl]-1,3 -thiazole-4-carboxylate
C17H20N2O4S (348.11437200000006)
N-(4-aminobutyl)-5-chloro-2-naphthalenesulfonamide hydrochloride
METHYL 4-(3-(4-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOL-5-YL)BENZOATE
C17H11F3N2O3 (348.07217319999995)
2-ETHOXY-5-[(MORPHOLINE-4-CARBONYL)-AMINO]-BENZENESULFONYL CHLORIDE
C13H17ClN2O5S (348.05466620000004)
2-(4-methylphenyl)-3,5-diphenyltetrazol-2-ium,chloride
1,2,3,4,5,6-Cyclohexanehexacarboxylic acid
C12H12O12 (348.03287520000003)
Pifithrin-β (hydrobromide)
Pifithrin-β hydrobromide (PFT β hydrobromide) is a potent p53 inhibitor with an IC50 of 23 μM.
3-(5-Cyano-2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydropyridin-3-ylazo)benzenesulfonicacid
ETHYL 2-((2-AMINOETHOXY)METHYL)-4-(2-CHLOROPHENYL)-6-METHYLNICOTINATE
2,2,3,3,4,4-hexafluoro-1,5-pentyl dimethacrylate
C13H14F6O4 (348.07962360000005)
5-(4-chlorophenyl)-N-quinolin-6-ylfuran-2-carboxamide
2,5-BIS(METHOXYCARBONYL)-3,4-DIPHENYLCYCLOPENTADIENONE
2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Glucopyranoside
C12H13FN2O9 (348.06050600000003)
4-AMINO-N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)BENZAMIDE
2-(3-methylphenyl)-3,5-diphenyltetrazol-3-ium,chloride
10-(4-methylphenyl)-7-nitropyrimido[4,5-b]quinoline-2,4-dione
C18H12N4O4 (348.08585120000004)
(4-nitrophenyl)methyl 6-(1-hydroxyethyl)-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
AZD1480
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 > C172200 - JAK Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C125450 - JAK2 Inhibitor
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-nitroquinazolin-4-amine
C15H10ClFN4O3 (348.04254319999995)
Relebactam
C12H20N4O6S (348.11035000000004)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D065093 - beta-Lactamase Inhibitors C2140 - Adjuvant > C183118 - Beta-lactamase Inhibitor D004791 - Enzyme Inhibitors
4-Oxo-2-phenyl-4H-chromen-3-yl 2-thiophenecarboxylate
6-(Trifluoromethyl)-2-pyridinemethanol 2-(4-methylbenzenesulfonate)
C14H13F3NO4S (348.05173540000004)
3-(perfluorobutyl)-2-hydroxypropyl acrylate
C10H9F9O3 (348.04079519999993)
DI-O-TOLYLPHOSPHONOACETIC ACID ETHYL ESTER
C18H21O5P (348.11265460000004)
N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
(4,5-Dihydro-2-methylimidazo[4,5-d][1]benzazepin-6(1H)-yl)(4-nitrophenyl)methanone
C19H16N4O3 (348.12223459999996)
Flumizole
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
(4R)-2-(2,3-dihydroxyphenyl)-N-hydroxy-N-[2-(1H-imidazol-5-yl)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide
C15H16N4O4S (348.08922160000003)
D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents
4-hydroxy-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinoline-3-carboxamide
C17H11F3N2O3 (348.07217319999995)
Equilin sulfate
C18H20O5S (348.10313900000006)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Lactucin 15-oxalate
A sesquiterpene lactone obtained by formal condensation of one of the carboxy groups of oxalic acid with the 15-hydroxy group of lactucin. Found in chicory.
1-(8-Quinolinylsulfonyl)-3-piperidinecarboxylic acid ethyl ester
C17H20N2O4S (348.11437200000006)
5-[(6-Methoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester
3-(2-Chlorophenyl)-7-hydroxy-4-phenylchromen-2-one
(5z)-3-(4-Chlorophenyl)-4-Hydroxy-5-(1-Naphthylmethylene)furan-2(5h)-One
18-Chloro-11,12,13,14-Tetrahydro-1h,10h-8,4-(Azeno)-9,15,1,3,6-Benzodioxatriazacycloheptadecin-2-One
2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Mannopyranoside
C12H13FN2O9 (348.06050600000003)
{[4-Amino-2-(3-chloroanilino)-1,3-thiazol-5-YL](4-fluorophenyl)methanone
Tolestan
N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
toddaline
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000970 - Antineoplastic Agents
5-Hydroxy-2-(3-hydroxy-2-methoxycarbonyl-5-methylphenoxy)-3-methoxybenzoic acid
2-Hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid
D065128 - Endothelin Receptor Antagonists
coelimycin P1
C17H20N2O4S (348.11437200000006)
An organosulfur heterocyclic compound that is 1,5-oxathiocane which has been substituted at the 2-pro-R, 3, 6, and 8 positions by oxo, acetamido, 5,6-dihydropyridin-2(1H)-ylidene, and (2E)-but-2-enoyl groups, respectively, and which has been dehydrogenated to introduce a double bond at the 7-8 position. It was isolated from Streptomyces coelicolor M145 after genetically engineered increase of the metabolic flux and is the product of a polyketide biosynthetic gene cluster.
2,4-DINITROPHENYL-2-FLUORO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
C12H13FN2O9 (348.06050600000003)
N-[(3R)-8-[(2E)-but-2-enoyl]-6-(5,6-dihydropyridin-2-yl)-2-oxo-4,8-dihydro-3H-1,5-oxathiocin-3-yl]acetamide
C17H20N2O4S (348.11437200000006)
3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid 9-phosphate
A ketoaldonic acid phosphate that is 3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid carrying a monophosohate substituent at position 9.
[5-(2,6-dioxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
(2S)-5-[[(2R)-3-acetylsulfanyl-1-(carboxylatomethylamino)-1-oxopropan-2-yl]amino]-2-azaniumyl-5-oxopentanoate
(2R)-3-phosphonooxy-2-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoic acid
Sulfuric acid mono-[7-oxo-2-(piperidin-4-ylcarbamoyl)-1,6-diaza-bicyclo[3.2.1]oct-6-yl] ester
C12H20N4O6S (348.11035000000004)
[2,3,4,5-Tetrahydroxy-6-(phosphonooxymethyl)oxan-2-yl] 2-hydroxypropanoate
15-O-desmethyl-(5Z)-7-oxozeaenol
A macrolide that is a 14-memebered macrocycle fused to a 1,3-dihydroxybenzene. Isolated from Fungi, it exhibits inhibitory activity against NF-kappaB.
4-Chloro-6-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol
C16H13ClN2O3S (348.0335378000001)
N-(bicyclo[2.2.1]hept-2-ylcarbonyl)-3-chloro-1-benzothiophene-2-carbohydrazide
4-(4-Quinoxalin-2-ylphenoxy)benzene-1,2-dicarbonitrile
(5Z)-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
C17H20N2O4S (348.11437200000006)
5-[(3-chlorophenoxy)methyl]-N-(4-methyl-2-thiazolyl)-2-furancarboxamide
C16H13ClN2O3S (348.0335378000001)
4-Chloro-3-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]benzoic acid methyl ester
C16H13ClN2O5 (348.05129580000005)
(2-Methyl-3-imidazo[1,2-a]pyridinyl)-diphenyl-sulfanylidenephosphorane
N1-Protonated adenosine-5-monophosphate
C10H15N5O7P+ (348.07090700000003)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
N-(1,3-dioxo-2-phenyl-5-isoindolyl)-2-thiophenecarboxamide
C19H12N2O3S (348.0568602000001)
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
mitomycin B(1-)
An organic anion obtained by removal of the acidic proton from position 8 of mitomycin B. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
mitomycin A(1-)
An organic anion obtained by removal of the acidic proton from position 8 of mitomycin A. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
N-(1H-benzimidazol-2-yl)-1-ethyl-2-hydroxy-4-oxoquinoline-3-carboxamide
C19H16N4O3 (348.12223459999996)
4-chloro-3-nitrobenzaldehyde N-(4-methylphenyl)thiosemicarbazone
C15H13ClN4O2S (348.04477080000004)
2-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]isoindole-1,3-dione
4-methoxy-N1,N3-bis(3-pyridinyl)benzene-1,3-dicarboxamide
C19H16N4O3 (348.12223459999996)
4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]benzoic acid methyl ester
C15H12N2O6S (348.04160520000005)
2-[[(2,3-Dimethoxyphenyl)-oxomethyl]amino]-5-propan-2-yl-3-thiophenecarboxamide
C17H20N2O4S (348.11437200000006)
2-Benzamido-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
3-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-4,5-dihydroisoxazole-5-carboxamide
5-chloro-N-[2-(2-furanyl)-2-(1-pyrrolidinyl)ethyl]-2-methoxybenzamide
2-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide
C17H20N2O4S (348.11437200000006)
N-cycloheptyl-2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetamide
C16H20N4O3S (348.12560500000006)
N-[4-(4-fluorophenyl)-2-thiazolyl]-4-methylbenzenesulfonamide
C16H13FN2O2S2 (348.04024499999997)
2-[(5-Ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone
6-Propyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]butanamide
C16H17BrN2O2 (348.04733219999997)
N-[3-[(1,3-dioxo-5-isoindolyl)oxy]phenyl]-2-furancarboxamide
C19H12N2O5 (348.07461820000003)
Acetic acid [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] ester
C19H16N4O3 (348.12223459999996)
2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio]-N-(4-chlorophenyl)acetamide
C14H13ClN6OS (348.05600380000004)
2-[5-amino-1-(2-methoxyphenyl)-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one
C19H16N4O3 (348.12223459999996)
3-[(4-methoxyphenyl)sulfonylamino]-N-(phenylmethyl)propanamide
C17H20N2O4S (348.11437200000006)
1-Tert-butyl-5-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone
C17H18ClFN4O (348.11530999999997)
1-Tert-butyl-5-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone
C17H18ClFN4O (348.11530999999997)
(3E)-N-(3,5-dichloroanilino)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboximidoyl cyanide
N-[(2S,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-4-chlorobenzenesulfonamide
N-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-4-chlorobenzenesulfonamide
N-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-4-chlorobenzenesulfonamide
N-[(2R,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-4-chlorobenzenesulfonamide
N-[(2R,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-4-chlorobenzenesulfonamide
N-[(2R,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-4-chlorobenzenesulfonamide
N-[(2S,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-4-chlorobenzenesulfonamide
3-(2-chloro-7-methoxy-10-phenothiazinyl)-N,N-dimethyl-1-propanamine
C18H21ClN2OS (348.10630460000004)
(1S,2S,4aR,4bR,7S,9aR,10S,10aR)-2,7-dihydroxy-1-methyl-8,13-dioxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
5,7-Dihydroxy-2-(1-hydroxy-3,5-dimethoxy-4-oxocyclohex-2-en-1-yl)chromen-4-one
2-[3-hydroxy-2-methoxy-4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol
2-(2,5-Dihydroxy-4-methoxyphenyl)-3,5,6,7-tetrahydroxychromen-4-one
7-chloro-5-(2-chlorophenyl)-3-methoxy-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
5-(5-(6-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole
alpha-(1,2-Dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde
5-Chloro-N2-[1-(5-fluoro-2-pyrimidinyl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
adenosine 5-monophosphate(1+)
C10H15N5O7P (348.07090700000003)
An organic cation that is the conjugate acid of adenosine 5-monophosphate (AMP) obtained by selective protonation at position N1 on the purine moiety.
BPR1M97
BPR1M97 is a dual-acting mu opioid receptor (MOP) and nociceptin-orphanin FQ peptide (NOP) receptor agonist with Ki values of 1.8 and 4.2 nM, respectively. BPR1M97 shows high potency and blood-brain barrier penetration, and produces potent antinociceptive effects[1].
Cyclo(his-pro) (TFA)
Cyclo(his-pro) TFA (Cyclo(histidyl-proline) TFA) is an orally active cyclic dipeptide structurally related to tyreotropin-releasing hormone[1]. Cyclo(his-pro) TFA could inhibit NF-κB nuclear accumulation. Cyclo(his-pro) TFA can cross the brain-blood-barrier and affect diverse inflammatory and stress responses[2].