Exact Mass: 473.1661
Exact Mass Matches: 473.1661
Found 439 metabolites which its exact mass value is equals to given mass value 473.1661,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(6R)-Folinic acid
The active metabolite of folic acid. Leucovorin is used principally as its calcium salt as an antidote to folic acid antagonists which block the conversion of folic acid to folinic acid. [HMDB] D020011 - Protective Agents > D000931 - Antidotes C2140 - Adjuvant > C2078 - Folic Acid Derivative Folinic acid (Leucovorin) is a biological folic acid and is generally administered along with Methotrexate (MTX) (HY-14519) as a rescue agent to decrease MTX-induced toxicity[1]. Folinic acid (Leucovorin) is a biological folic acid and is generally administered along with Methotrexate (MTX) (HY-14519) as a rescue agent to decrease MTX-induced toxicity[1].
Raloxifene
Raloxifene is only found in individuals that have used or taken this drug. It is a second generation selective estrogen receptor modulator (SERM) used to prevent osteoporosis in postmenopausal women. It has estrogen agonist effects on bone and cholesterol metabolism but behaves as a complete estrogen antagonist on mammary gland and uterine tissue. [PubChem]. Raloxifene binds to estrogen receptors, resulting in differential expression of multiple estrogen-regulated genes in different tissues. Raloxifene produces estrogen-like effects on bone, reducing resorption of bone and increasing bone mineral density in postmenopausal women, thus slowing the rate of bone loss. The maintenance of bone mass by raloxifene and estrogens is, in part, through the regulation of the gene-encoding transforming growth factor-β3 (TGF-β3), which is a bone matrix protein with antiosteoclastic properties. Raloxifene activates TGF-β3 through pathways that are estrogen receptor-mediated but involve DNA sequences distinct from the estrogen response element. The drug also binds to the estrogen receptor and acts as an estrogen agonist in preosteoclastic cells, which results in the inhibtion of their proliferative capacity. This inhibition is thought to contribute to the drugs effect on bone resorption. Other mechanisms include the suppression of activity of the bone-resorbing cytokine interleukin-6 promoter activity. Raloxifene also antagonizes the effects of estrogen on mammary tissue and blocks uterotrophic responses to estrogen. By competing with estrogens for the estrogen receptors in reproductive tissue, raloxifene prevents the transcriptional activation of genes containing the estrogen response element. As well, raloxifene inhibits the estradiol-dependent proliferation of MCF-7 human mammary tumor cells in vitro. The mechansim of action of raloxifene has not been fully determined, but evidence suggests that the drugs tissue-specific estrogen agonist or antagonist activity is related to the structural differences between the raloxifene-estrogen receptor complex (specifically the surface topography of AF-2) and the estrogen-estrogen receptor complex. Also, the existence of at least 2 estrogen receptors (ERα, ERβ) may contribute to the tissue specificity of raloxifene. CONFIDENCE standard compound; INTERNAL_ID 236; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3671; ORIGINAL_PRECURSOR_SCAN_NO 3667 CONFIDENCE standard compound; INTERNAL_ID 236; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7479; ORIGINAL_PRECURSOR_SCAN_NO 7477 CONFIDENCE standard compound; INTERNAL_ID 236; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3606; ORIGINAL_PRECURSOR_SCAN_NO 3604 CONFIDENCE standard compound; INTERNAL_ID 236; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3605; ORIGINAL_PRECURSOR_SCAN_NO 3603 CONFIDENCE standard compound; INTERNAL_ID 236; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7456; ORIGINAL_PRECURSOR_SCAN_NO 7455 CONFIDENCE standard compound; INTERNAL_ID 236; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7507; ORIGINAL_PRECURSOR_SCAN_NO 7505 CONFIDENCE standard compound; INTERNAL_ID 236; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7491; ORIGINAL_PRECURSOR_SCAN_NO 7487 CONFIDENCE standard compound; INTERNAL_ID 236; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7503; ORIGINAL_PRECURSOR_SCAN_NO 7502 CONFIDENCE standard compound; INTERNAL_ID 236; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7515; ORIGINAL_PRECURSOR_SCAN_NO 7513 CONFIDENCE standard compound; INTERNAL_ID 236; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3597; ORIGINAL_PRECURSOR_SCAN_NO 3594 CONFIDENCE standard compound; INTERNAL_ID 236; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3612; ORIGINAL_PRECURSOR_SCAN_NO 3610 CONFIDENCE standard compound; INTERNAL_ID 236; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3602; ORIGINAL_PRECURSOR_SCAN_NO 3597 G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03X - Other sex hormones and modulators of the genital system > G03XC - Selective estrogen receptor modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D020847 - Estrogen Receptor Modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist CONFIDENCE standard compound; INTERNAL_ID 2754 CONFIDENCE standard compound; INTERNAL_ID 8536 D050071 - Bone Density Conservation Agents C1892 - Chemopreventive Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Raloxifene (Keoxifene) is a benzothiophene-derived selective estrogen receptor modulator (SERM). Raloxifene has estrogen-agonistic effects on bone and lipids and estrogen-antagonistic effects on the breast and uterus. Raloxifene is used for breast cancer and osteoporosis research[1].
10-Formyltetrahydrofolate
10-formyltetrahydrofolate, also known as 10-formyl-thf or 10-formyltetrahydropteroylglutamic acid, is a member of the class of compounds known as tetrahydrofolic acids. Tetrahydrofolic acids are heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with at least one L-glutamic acid unit. 10-formyltetrahydrofolate is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 10-formyltetrahydrofolate can be found in a number of food items such as agave, black salsify, white cabbage, and lemon, which makes 10-formyltetrahydrofolate a potential biomarker for the consumption of these food products. 10-formyltetrahydrofolate exists in all eukaryotes, ranging from yeast to humans. In humans, 10-formyltetrahydrofolate is involved in several metabolic pathways, some of which include mercaptopurine action pathway, methionine metabolism, purine metabolism, and folate malabsorption, hereditary. 10-formyltetrahydrofolate is also involved in several metabolic disorders, some of which include myoadenylate deaminase deficiency, adenine phosphoribosyltransferase deficiency (APRT), molybdenum cofactor deficiency, and cystathionine beta-synthase deficiency. 10-Formyltetrahydrofolate (10-CHO-THF) is a form of tetrahydrofolate that acts as a donor of formyl groups in anabolism. In these reactions 10-CHO-THF is used as a substrate in formyltransferase reactions. This is important in purine biosynthesis, where 10-CHO-THF is a substrate for phosphoribosylaminoimidazolecarboxamide formyltransferase, as well as in the formylation of the methionyl initiator tRNA (fMet-tRNA), when 10-CHO-THF is a substrate for methionyl-tRNA formyltransferase . 10-Formyltetrahydrofolate (10-CHO-THF) is form of tetrahydrofolate that acts as a donor of formyl groups in anabolism. In particular, 10-CHO-THF is used as a substrate in a number of formyltransferase reactions. It plays an important role in purine biosynthesis, where 10-CHO-THF is a substrate for phosphoribosylaminoimidazolecarboxamide formyltransferase, as well as in the formylation of the methionyl initiator tRNA (fMet-tRNA), when 10-CHO-THF is a substrate for methionyl-tRNA formyltransferase. 10-Formyltetrahydrofolate is a substrate for Trifunctional purine biosynthetic protein adenosine-3, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase (mitochondrial), 10-formyltetrahydrofolate dehydrogenase, Folylpolyglutamate synthase (mitochondrial), Bifunctional purine biosynthesis protein PURH and C-1-tetrahydrofolate synthase (cytoplasmic).
CMP-N-trimethyl-2-aminoethylphosphonate
This compound belongs to the family of Pyrimidine Ribonucleoside Diphosphates. These are pyrimidine ribobucleotides with diphosphate group linked to the ribose moiety.
OA-6129B1
OA-6129 B2
4-Tert-butyl-N-[6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)pyrimidin-4-yl]benzenesulfonamide
D065128 - Endothelin Receptor Antagonists Ro 46-2005 is a novel synthetic non-peptide endothelin receptor antagonist, inhibits the specific binding of 125I-ET-1 to human vascular smooth muscle cells (ETA receptor) with IC50 of 220 nM. IC50 value: 220 nM (ETA) [2] Target: Endothelin in vitro: Ro 46-2005 proves to be equipotent (IC50 200-500 nM) for inhibition of [125I]ET-1 binding on the two known ET receptor subtypes (ETA and ETB). Ro 46-2005 also inhibits the functional consequences of ET-1 stimulation: the ET-l-induced release of arachidonic acid from rat mesangial cells was inhibited with an IC50 of 1.8 μM.[1]
Folinic acid
(6S)-5-formyltetrahydrofolic acid is the pharmacologically active (6S)-stereoisomer of 5-formyltetrahydrofolic acid. It has a role as an antineoplastic agent and a metabolite. It is a conjugate acid of a (6S)-5-formyltetrahydrofolate(2-). Levoleucovorin is the enantiomerically active form of Folinic Acid (also known as 5-formyl tetrahydrofolic acid or leucovorin). Commercially available leucovorin is composed of a 1:1 racemic mixture of the dextrorotary and levorotary isomers, while levoleucovorin contains only the pharmacologically active levo-isomer. In vitro, the levo-isomer has been shown to be rapidly converted to the biologically available methyl-tetrahydrofolate form while the dextro form is slowly excreted by the kidneys. Despite this difference in activity, the two commercially available forms have been shown to be pharmacokinetically identical and may be used interchangeably with limited differences in efficacy or side effects (Kovoor et al, 2009). As folate analogs, levoleucovorin and leucovorin are both used to counteract the toxic effects of folic acid antagonists, such as methotrexate, which act by inhibiting the enzyme dihydrofolate reductase (DHFR). They are indicated for use as rescue therapy following use of high-dose methotrexate in the treatment of osteosarcoma or for diminishing the toxicity associated with inadvertent overdosage of folic acid antagonists. Levoleucovorin, as the product Fusilev (FDA), has an additional indication for use in combination chemotherapy with 5-fluorouracil in the palliative treatment of patients with advanced metastatic colorectal cancer. Folic acid is an essential B vitamin required by the body for the synthesis of purines, pyrimidines, and methionine before incorporation into DNA or protein. However, in order to function in this role, it must first be reduced by the enzyme dihydrofolate reductase (DHFR) into the cofactors dihydrofolate (DHF) and tetrahydrofolate (THF). This important pathway, which is required for de novo synthesis of nucleic acids and amino acids, is disrupted when high-dose methotrexate is used for cancer therapy. As methotrexate functions as a DHFR inhibitor to prevent DNA synthesis in rapidly dividing cells, it also prevents the formation of DHF and THF. This results in a deficiency of coenzymes and a resultant buildup of toxic substances that are responsible for numerous adverse side effects of methotrexate therapy. As levoleucovorin and leucovorin are analogs of tetrahydrofolate (THF), they are able to bypass DHFR reduction and act as a cellular replacement for the co-factor THF, thereby preventing these toxic side effects. Levoleucovorin is a Folate Analog. Levoleucovorin is a natural product found in Homo sapiens with data available. Levoleucovorin is the active l-isomer of the racemic mixture of the 5-formyl derivative of tetrahydrofolic acid. Metabolically active, l-leucovorin, also known levoleucovorin, does not require bioactivation by dihydrofolate reductase, an enzyme inhibited by folic acid antagonists. This agent may enhance the effects of fluoropyrimidines by stabilizing their binding to the enzyme thymidylate synthase. (NCI04) 5-Formyltetrahydrofolic acid is a metabolite found in or produced by Saccharomyces cerevisiae. A folate analog consisting of the pharmacologically active isomer of LEUCOVORIN. See also: Levoleucovorin Calcium (active moiety of); Levoleucovorin disodium (active moiety of). Folinic acid (CAS: 58-05-9), also known as leucovorin, is a medication used to decrease the toxic effects of methotrexate (a chemotherapy agent and immune system suppressant) and pyrimethamine (Wikipedia). Folinic acid is the active metabolite of folic acid. Leucovorin is used principally as its calcium salt as an antidote to folic acid antagonists which block the conversion of folic acid to folinic acid. D020011 - Protective Agents > D000931 - Antidotes C2140 - Adjuvant > C2078 - Folic Acid Derivative Folinic acid (Leucovorin) is a biological folic acid and is generally administered along with Methotrexate (MTX) (HY-14519) as a rescue agent to decrease MTX-induced toxicity[1]. Folinic acid (Leucovorin) is a biological folic acid and is generally administered along with Methotrexate (MTX) (HY-14519) as a rescue agent to decrease MTX-induced toxicity[1].
Dhurrin 6'-glucoside
Dhurrin 6-glucoside is found in cereals and cereal products. Dhurrin 6-glucoside is a constituent of Sorghum bicolor (sorghum)
Pteroyl-D-glutamic acid
The active metabolite of Folic acid, is used principally as its calcium salt as an antidote to folic acid antagonists which block the conversion of folic acid to folinic acid. Folic acid, a water-soluble B-complex vitamin, is found in foods such as liver, kidneys, yeast, and leafy, green vegetables. Folic acid is used to diagnose folate deficiency and to treat topical sprue and megaloblastic and macrocytic anemias, hematologic complications resulting from a deficiency in folic acid. A member of the vitamin B family that stimulates the hematopoietic system. It is present in the liver and kidney and is found in mushrooms, spinach, yeast, green leaves, and grasses (poaceae). Folic acid is used in the treatment and prevention of folate deficiencies and megaloblastic anemia. The active metabolite of Folic acid, is used principally as its calcium salt as an antidote to folic acid antagonists which block the conversion of folic acid to folinic acid.
4-Tert-butyl-N-[6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)pyrimidin-4-yl]benzenesulfonamide
D065128 - Endothelin Receptor Antagonists Ro 46-2005 is a novel synthetic non-peptide endothelin receptor antagonist, inhibits the specific binding of 125I-ET-1 to human vascular smooth muscle cells (ETA receptor) with IC50 of 220 nM. IC50 value: 220 nM (ETA) [2] Target: Endothelin in vitro: Ro 46-2005 proves to be equipotent (IC50 200-500 nM) for inhibition of [125I]ET-1 binding on the two known ET receptor subtypes (ETA and ETB). Ro 46-2005 also inhibits the functional consequences of ET-1 stimulation: the ET-l-induced release of arachidonic acid from rat mesangial cells was inhibited with an IC50 of 1.8 μM.[1]
Mefox
Temsavir
C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent
Enasidenib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C137826 - Isocitrate Dehydrogenase Inhibitor > C168619 - IDH2 inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent Enasidenib is an oral, potent, reversible, selective inhibitor of the IDH2 mutant enzymes, with IC50s of 100 and 400 nM against IDH2R140Q and IDH2R172K, respectively.
Formyltetrahydrofolate
Ketotrexate
Lixivaptan
C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C2180 - Vasopressin Antagonist
quinoneimine
2-[[4-[(2-Amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]-4-formylpentanedioic acid
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methyl 2-(2-oxo-1,3-dihydroindol-3-yl)acetate
plumbagine G alpha-D-xylopyranoside|plumbagoside D
spiruchostatin A
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
Folinic acid
Folinic acid (Leucovorin) is a biological folic acid and is generally administered along with Methotrexate (MTX) (HY-14519) as a rescue agent to decrease MTX-induced toxicity[1]. Folinic acid (Leucovorin) is a biological folic acid and is generally administered along with Methotrexate (MTX) (HY-14519) as a rescue agent to decrease MTX-induced toxicity[1].
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Dhurrin 6'-glucoside
((2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(4-hydroxyphenethoxy)tetrahydro-2H-pyran-2-yl)methyl 2-(2-oxoindolin-3-yl)acetate
Pyrimido[2,1-f]purine-2,4,8(1H,3H,9H)-trione,7-[2-(ethylsulfonyl)ethyl]-6-hydroxy-1,3-dimethyl-9-(phenylmethyl)-
(1-NAPHTHYL) 2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
NAN-190 hydrobromide
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists NAN-190 hydrobromide is a serotonin receptor 5-HT antagonist. NAN-190 is a selective antagonist of 5-HT1A[1][3].
Thieno[2,3-b]quinoline-2-carboxamide, N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-7-methyl- (9CI)
Methyl5-acetamido-4,7,8,9-tetra-O-acetyl-2,6-anhydro-3,5-dideoxy-D-glycero-D-galacto-non-2-enonate
Rosiglitazone maleate
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C98241 - Thiazolidinedione Antidiabetic Agent C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer D007004 - Hypoglycemic Agents Rosiglitazone maleate (BRL 49653C) is a potent and selective activator of PPARγ, with EC50s of 30 nM, 100 nM and 60 nM for PPARγ1, PPARγ2, and PPARγ, respectively, and a Kd of appr 40 nM for PPARγ; Rosiglitazone maleate is also an modulator of TRP channels, inhibits TRP melastatin 2 (TRPM2), TRPM3 and activates TRP canonical 5 (TRPC5).
Pazopanib Hydrochloride
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164037 - PDGFR-targeting Agent C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163999 - cKIT-targeting Agent C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C159198 - c-KIT Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164035 - FGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C155727 - FGFR Inhibitor
1-(4-Methoxyphenyl)-6-[4-(5-methyl-2-oxo-1-piperidinyl)phenyl]-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
1H-Pyrazolo[3,4-c]pyridine-3-carboxamide, 1-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-
N-[4-[[(2-Amino-6,7,8,9-tetrahydro-8-methyl-4,9-dioxo-4H-pyrazino[1,2-a]-1,3,5-triazin-7-yl)methyl]amino]benzoyl]-L-glutamic Acid
1-[2-[bis[4-(trifluoromethyl)phenyl]methoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D058805 - GABA Uptake Inhibitors D018377 - Neurotransmitter Agents > D018682 - GABA Agents D049990 - Membrane Transport Modulators
Benzyl 2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranoside
leucovorin
D020011 - Protective Agents > D000931 - Antidotes C2140 - Adjuvant > C2078 - Folic Acid Derivative D018977 - Micronutrients > D014815 - Vitamins Folinic acid (Leucovorin) is a biological folic acid and is generally administered along with Methotrexate (MTX) (HY-14519) as a rescue agent to decrease MTX-induced toxicity[1]. Folinic acid (Leucovorin) is a biological folic acid and is generally administered along with Methotrexate (MTX) (HY-14519) as a rescue agent to decrease MTX-induced toxicity[1].
N-{3-[5-(6-Amino-purin-9-YL)-3,4-dihydroxy-tetrahydro-furan-2-YL]-allyl}-2,3-dihydroxy-5-nitro-benzamide
Lixivaptan
C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C2180 - Vasopressin Antagonist
Enasidenib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C137826 - Isocitrate Dehydrogenase Inhibitor > C168619 - IDH2 inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent Enasidenib is an oral, potent, reversible, selective inhibitor of the IDH2 mutant enzymes, with IC50s of 100 and 400 nM against IDH2R140Q and IDH2R172K, respectively.
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(3S)-3,6-diamino-2,6-dioxohexyl]phosphinic acid
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-4-methyl-6-(3-methyl-1,4-dioxonaphthalen-2-yl)hex-4-enoyl]oxyoxane-2-carboxylate
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-[(4-phenylphenyl)methylsulfanyl]propan-2-yl]amino]-5-oxopentanoic acid
10-Formyltetrahydropteroylglutamic acid
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
4-[[6-Hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexa-2,4-dien-1-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
Platensimycin A5 Methyl Ester
A polycyclic cage compound that is the methyl ester derivative of the dihydroxy substituted platensimycin. It is isolated from Streptomyces platensis.
Platencin A11 Methyl Ester
A natural product found in Streptomyces platensis.
N-{4-[{[(6s)-2-Amino-4-Oxo-3,4,5,6,7,8-Hexahydropteridin-6-Yl]methyl}(Formyl)amino]benzoyl}-L-Glutamic Acid
N-(3-chlorophenyl)-2-[6,7-dimethoxy-2,4-dioxo-3-(2-oxolanylmethyl)-1-quinazolinyl]acetamide
6-hydroxy platensimycin A1 methyl ester
A natural product found in Streptomyces platensis.
5-[(2-chloro-6-fluorophenyl)methyl]-N-[2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]-1,3,4-oxadiazole-2-carboxamide
N-(1,3-benzodioxol-5-yl)-1-[4-(4-morpholinylsulfonyl)phenyl]-4-piperidinecarboxamide
2-(4-propylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-4-quinolinecarboxamide
1,2-dibutyryl-sn-glycero-3-phospho-(1D-myo-inositol)(1-)
A 1-phosphatidyl-1D-myo-inositol(1-) that is the conjugate base of 1,2-dibutyryl-sn-glycero-3-phospho-1D-myo-inositol, obtained by deprotonation of the phosphate OH group; major species at pH 7.3.
1-[2,5-diethoxy-4-(1-tetrazolyl)phenyl]sulfonyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine
4-amino-N5-(4-butoxyphenyl)-N5-[2-(cyclohexylamino)-2-oxoethyl]isothiazole-3,5-dicarboxamide
3-[(2-Chlorophenyl)methyl]-7-[4-[4-(trifluoromethyl)phenyl]-1-piperazinyl]triazolo[4,5-d]pyrimidine
3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
Platensimycin A6 Methyl Ester
A natural product found in Streptomyces platensis.
1-[5-(L-tryptophanylamino)-5-deoxy-beta-D-allofuranosyluronic acid]uracil
1-(4-chlorophenyl)-3-[(2S,3S,6R)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea
4-[(3aR,4R,9bR)-4-(hydroxymethyl)-5-methyl-1-(4-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile
[(1R)-1-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanol
N-[(2S,4aR,12aS)-5-methyl-2-[2-(methylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,5-difluorobenzamide
N-[(2R,4aR,12aS)-5-methyl-2-[2-(methylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,5-difluorobenzamide
N-[(2S,4aR,12aR)-5-methyl-2-[2-(methylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,5-difluorobenzamide
N-[(2R,4aR,12aR)-5-methyl-2-[2-(methylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,5-difluorobenzamide
N-[(2S,4aS,12aS)-5-methyl-2-[2-(methylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,5-difluorobenzamide
N-[(2R,4aS,12aS)-5-methyl-2-[2-(methylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,5-difluorobenzamide
N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-5-yl]methyl]-N-methylpyridine-4-carboxamide
N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
1-(4-chlorophenyl)-3-[(2S,3S,6S)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea
1-(4-chlorophenyl)-3-[(2R,3R,6S)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea
1-[(2R,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-cyclohexylurea
1-[(2R,3R,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-cyclohexylurea
2-[(2S,3R,6R)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(2R,3R,6S)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(4-chlorophenyl)methyl]acetamide
(1S,2aR,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-1-(hydroxymethyl)-N-(2-methoxyphenyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
N-[(2R,4aS,12aR)-5-methyl-2-[2-(methylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,5-difluorobenzamide
4-[(3aS,4S,9bS)-4-(hydroxymethyl)-5-methyl-1-(4-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile
3-[(3aR,4S,9bR)-4-(hydroxymethyl)-5-methyl-1-(2-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile
[(1S)-7-methoxy-1,9-dimethyl-2-[(1-methyl-4-imidazolyl)sulfonyl]-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]methanol
1-(4-chlorophenyl)-3-[(2S,3R,6S)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea
1-(4-chlorophenyl)-3-[(2S,3R,6R)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea
1-(4-chlorophenyl)-3-[(2R,3R,6R)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea
1-(4-chlorophenyl)-3-[(2R,3S,6S)-6-[2-[4-(2-fluorophenyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]urea
1-[(2S,3R,6S)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-cyclohexylurea
1-[(2S,3S,6S)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-cyclohexylurea
1-[(2S,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-cyclohexylurea
1-[(2R,3R,6S)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-cyclohexylurea
2-[(2R,3S,6S)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(2R,3S,6R)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(2S,3S,6R)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(2S,3S,6S)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(2R,3R,6R)-3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(2S,5R,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[3-(4-morpholinyl)propyl]acetamide
(1R,2aR,8bR)-2-(1,3-benzodioxol-5-ylmethyl)-1-(hydroxymethyl)-N-(2-methoxyphenyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
(1R,2aS,8bS)-2-(1,3-benzodioxol-5-ylmethyl)-1-(hydroxymethyl)-N-(2-methoxyphenyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
N-[(2S,4aS,12aR)-5-methyl-2-[2-(methylamino)-2-oxoethyl]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,5-difluorobenzamide
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-[(4-chlorophenyl)methyl]acetamide
4-[(3aS,4R,9bS)-4-(hydroxymethyl)-5-methyl-1-(4-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile
4-[(3aR,4S,9bR)-4-(hydroxymethyl)-5-methyl-1-(4-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile
3-[(3aS,4R,9bS)-4-(hydroxymethyl)-5-methyl-1-(2-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile
[(1R)-7-methoxy-1,9-dimethyl-2-[(1-methyl-4-imidazolyl)sulfonyl]-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]methanol
[(1S)-1-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]methanol
alpha-D-Galp-(1->4)-beta-D-Galp-O(CH2)2S(CH2)2CONH2
A glycoside that consists of alpha-D-galactosyl-(1->4)-beta-D-galactose having a 2-(2-aminocarbonylethylthio)ethyl moiety attached to the reducing end anomeric centre.
1-[5-(D-tryptophanylamino)-5-deoxy-beta-D-allofuranosyluronic acid]uracil
2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1,3-dihydroxy-1-(2-hydroxyphenyl)propan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid
2-(2-Carbomethoxyphenylamino)-4-phenyl-6-(4-phenoxyphenyl)pyrimidine
Raloxifene
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03X - Other sex hormones and modulators of the genital system > G03XC - Selective estrogen receptor modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D020847 - Estrogen Receptor Modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D050071 - Bone Density Conservation Agents C1892 - Chemopreventive Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Raloxifene (Keoxifene) is a benzothiophene-derived selective estrogen receptor modulator (SERM). Raloxifene has estrogen-agonistic effects on bone and lipids and estrogen-antagonistic effects on the breast and uterus. Raloxifene is used for breast cancer and osteoporosis research[1].
N-(10-formyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid
(5R,6S)-3-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
(5R,6R)-3-[2-[3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
5-Formyltetrahydrofolic acid
A formyltetrahydrofolic acid in which the formyl group is located at position 5.
(6S)-10-formyltetrahydrofolic acid
A 10-formyltetrahydrofolic acid that has S-configuration at position 6.
beta-D-Gal-(1->3)-alpha-D-GalNAc-OBn
An amino disaccharide consisting of benzyl 2-acetamido-2-deoxy-D-galactoside having a beta-D-galactosyl residue attached at the 3-position.
(6S)-5-formyltetrahydrofolic acid
The pharmacologically active (6S)-stereoisomer of 5-formyltetrahydrofolic acid.
(6R)-10-formyltetrahydrofolic acid
A 10-formyltetrahydrofolic acid that has R-configuration at position 6.
AD80
AD80, a multikinase inhibitor, inhibits RET, RAF,SRCand S6K, with greatly reduced mTOR activity.
ALOX15-IN-1
ALOX15-IN-1 (compound 8b) is a potent inhibitor of the linoleate oxygenase activity of rabbit and human ALOX15 with IC50s of 0.04 and 2.06 μM for ALOX15 0rthologs linoleic acid (LA) and arachidonic acid (AA), respectively[1].
ASN007
ASN007 (ERK-IN-3) is a potent and orally active inhibitor of ERK. ASN007 inhibits ERK1/2 with low single-digit nM IC50 values. ASN007 can be used for the research of cancers driven by RAS mutations[1].
CTX-0294885 (hydrochloride)
CTX-0294885 hydrochloride is a broad spectrum kinase inhibitor that can capture 235 kinases from MDA-MB-231 cells, and can capture all members of the AKT family. CTX-0294885 hydrochloride is a powerful reagent for analysis of kinome signaling networks that can be used for the research of diseases like inflammation, diabetes, and cancer[1].
TLK117
TLK117, the active metabolite of TLK199, selective inhibits Glutathione S-transferase P1–1 (GSTP1-1) with a Ki of 0.4 μM for GSTP. TLK117 also competitively inhibits glyoxalase I with a Ki of 0.56 μM.
(1r,2s,9r,10s,15r)-9,11,11',15-tetrahydroxy-7-methoxy-6'-methyl-3'-oxa-12-azaspiro[tetracyclo[8.3.3.0¹,¹⁰.0³,⁸]hexadecane-2,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(12'),3(8),4,4',6,6',8',10',11-nonaen-13-one
n-[2,6-dihydroxy-3-(methoxycarbonyl)phenyl]-3-[(1s,5s,10s)-10-hydroxy-10-(hydroxymethyl)-5-methyl-4-oxotricyclo[7.2.1.0¹,⁶]dodec-2-en-5-yl]propanimidic acid
(2r,9s,9ar)-9-hydroxy-9-{[(1s,4s)-3-hydroxy-1-isopropyl-6-oxo-1h,4h-pyrazino[2,1-b]quinazolin-4-yl]methyl}-2-methyl-1h,2h,9ah-imidazo[1,2-a]indol-3-one
[(2r,3s,4s,5r,6s)-6-{4-[(s)-cyano(hydroxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(2s,9s,9ar)-9-hydroxy-9-{[(1r,4r)-3-hydroxy-1-isopropyl-6-oxo-1h,4h-pyrazino[2,1-b]quinazolin-4-yl]methyl}-2-methyl-1h,2h,9ah-imidazo[1,2-a]indol-3-one
(2s)-2-[(z)-{1-[(2r)-10-acetyl-5,11,13-trihydroxy-2,12-dimethyl-3-oxo-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),4,6,10,12-pentaen-4-yl]ethylidene}amino]pentanedioic acid
10,12-dihy-droxypicrotoxane
{"Ingredient_id": "HBIN000013","Ingredient_name": "10,12-dihy-droxypicrotoxane","Alias": "NA","Ingredient_formula": "C20H23N7O7","Ingredient_Smile": "C1C(NC2=C(N1)NC(=NC2=O)N)CN(C=O)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42559","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
