Exact Mass: 285.0936
Exact Mass Matches: 285.0936
Found 500 metabolites which its exact mass value is equals to given mass value 285.0936,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Letrozole
Letrozole is a member of triazoles and a nitrile. It has a role as an antineoplastic agent and an EC 1.14.14.14 (aromatase) inhibitor. Letrozole, or CGS 20267, is an oral non-steroidal type II aromatase inhibitor first described in the literature in 1990. It is a third generation aromatase inhibitor like [exemestane] and [anastrozole], meaning it does not significantly affect cortisol, aldosterone, and thyroxine. Letrozole was granted FDA approval on 25 July 1997. Letrozole is an Aromatase Inhibitor. The mechanism of action of letrozole is as an Aromatase Inhibitor. Letrozole is a nonsteroidal inhibitor of aromatase which effectively blocks estrogen synthesis in postmenopausal women and is used as therapy of estrogen receptor positive breast cancer, usually after resection and after failure of tamoxifen. Letrozole has been associated with a low rate of serum enzyme elevations during therapy and rare instances of clinically apparent liver injury. Letrozole is a nonsteroidal inhibitor of estrogen synthesis with antineoplastic activity. As a third-generation aromatase inhibitor, letrozole selectively and reversibly inhibits aromatase, which may result in growth inhibition of estrogen-dependent breast cancer cells. Aromatase, a cytochrome P-450 enzyme localized to the endoplasmic reticulum of the cell and found in many tissues including those of the premenopausal ovary, liver, and breast, catalyzes the aromatization of androstenedione and testosterone into estrone and estradiol, the final step in estrogen biosynthesis. Letrozole (INN, trade name Femara®) is an oral non-steroidal aromatase inhibitor that has been introduced for the adjuvant treatment of hormonally-responsive breast cancer. Estrogens are produced by the conversion of androgens through the activity of the aromatase enzyme. Letrozole blocks production of estrogens in this way by competitive, reversible binding to the heme of its cytochrome P450 unit. The action is specific, and letrozole does not reduce production of mineralo- or corticosteroids. In contrast, the antiestrogenic action of tamoxifen, the major medical therapy prior to the arrival of aromatase inhibitors, is due to its interfering with the estrogen receptor, rather than inhibiting estrogen production. Letrozole is approved by the United States Food and Drug Administration (FDA) for the treatment of local or metastatic breast cancer that is hormone receptor positive or has an unknown receptor status in postmenopausal women. Side effects include signs and symptoms of hypoestrogenism. There is concern that long term use may lead to osteoporosis, which is why prescriptions of Letrozole are often accompanied by prescriptions of osteoporosis-fighting medication such as Fosamax. Letrozole has shown to reduce estrogen levels by 98 percent while raising testosterone levels. The anti-estrogen action of letrozole is preferred by athletes and bodybuilders for use during a steroid cycle to reduce bloating due to excess water retention and prevent the formation of gynecomastia related breast tissue that is a side effect of some anabolic steroids. Usage above 2.5 mg/day is known to potentially temporarily kill sex drive. Above 5mg/day for extended periods may cause kidney problems. Letrozole has also been shown to delay the fusing of the growth plates in adolescents. This may boost the effectiveness of growth hormone, and thus Letrozole is used to treat adolescents and children with short stature. A triazole and benzonitrile derivative that is a selective non-steroidal aromatase inhibitor, similar to ANASTROZOLE. It is used in the treatment of metastatic or locally advanced breast cancer in postmenopausal women. See also: Letrozole; ribociclib succinate (component of). Letrozole (INN, trade name Femara) is an oral non-steroidal aromatase inhibitor that has been introduced for the adjuvant treatment of hormonally-responsive breast cancer L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BG - Aromatase inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D047072 - Aromatase Inhibitors C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3585 Letrozole (CGS 20267) is a potent, selective, reversible and orally active non-steroidal inhibitor of aromatase, with an IC50 of 11.5 nM. Letrozole selective inhibits estrogen biosynthesis, and can be used for the research of breast cancer[1][2][3].
Machiline
(R)-coclaurine is a coclaurine. It is an enantiomer of a (S)-coclaurine. (R)-Coclaurine is a natural product found in Mezilaurus synandra, Stephania excentrica, and other organisms with data available.
Coclaurine
(S)-coclaurine is the (S)-enantiomer of coclaurine. It is a conjugate base of a (S)-coclaurinium. It is an enantiomer of a (R)-coclaurine. Coclaurine is a natural product found in Delphinium pentagynum, Damburneya salicifolia, and other organisms with data available. Coclaurine, also known as (r,s)-coclaurine or machiline, is a member of the class of compounds known as benzylisoquinolines. Benzylisoquinolines are organic compounds containing an isoquinoline to which a benzyl group is attached. Coclaurine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Coclaurine can be found in custard apple and soursop, which makes coclaurine a potential biomarker for the consumption of these food products. Coclaurine is a nicotinic acetylcholine receptor antagonist which has been isolated from a variety of plant sources including Nelumbo nucifera, Sarcopetalum harveyanum, Ocotea duckei, and others. It belongs to the class of tetrahydroisoquinoline alkaloids. Dimerization of coclaurine leads to the biscoclaurine alkaloids such as cepharanthine .
Aposcopolamine
Aposcopolamine is an alkaloid that can be isolated from Datura ferox. Aposcopolamin can closely binds with ACHE, ADRA2A and CHRM2. Aposcopolamine can be used for the research of Alzheimer's disease[1]. Aposcopolamine is an alkaloid that can be isolated from Datura ferox. Aposcopolamin can closely binds with ACHE, ADRA2A and CHRM2. Aposcopolamine can be used for the research of Alzheimer's disease[1]. Aposcopolamine is an alkaloid that can be isolated from Datura ferox. Aposcopolamin can closely binds with ACHE, ADRA2A and CHRM2. Aposcopolamine can be used for the research of Alzheimer's disease[1].
Norcodeine
Norcodeine is a metabolite of codeine. Norcodeine is an opiate analogue that is the N-demethylated derivative of codeine. Norcodeine has relatively little opioid activity in its own right, but is formed as a metabolite of codeine following ingestion. (Wikipedia) D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist > C1657 - Opiate
Morphine
Morphine, also known as (-)-morphine or morphine sulfate, is a member of the class of compounds known as morphinans. Morphinans are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic. Morphine is soluble (in water) and a very weakly acidic compound (based on its pKa). Morphine can be synthesized from morphinan. Morphine is also a parent compound for other transformation products, including but not limited to, myrophine, heroin, and codeine. Morphine can be found in a number of food items such as nanking cherry, eggplant, millet, and common hazelnut, which makes morphine a potential biomarker for the consumption of these food products. Morphine can be found primarily in blood and urine, as well as in human kidney and liver tissues. In humans, morphine is involved in several metabolic pathways, some of which include heroin action pathway, morphine metabolism pathway, heroin metabolism pathway, and codeine metabolism pathway. Morphine is a non-carcinogenic (not listed by IARC) potentially toxic compound. Morphine is a drug which is used for the relief and treatment of severe pain. The primary source of morphine is isolation from poppy straw of the opium poppy. In 2013, an estimated 523 000 kg of morphine were produced. About 45 000 kg were used directly for pain, a four-time increase over the last twenty years. Most use for this purpose was in the developed world. About 70\\% of morphine is used to make other opioids such as hydromorphone, oxymorphone, and heroin. It is a Schedule II drug in the United States, Class A in the United Kingdom, and Schedule I in Canada. It is on the World Health Organizations List of Essential Medicines, the most effective and safe medicines needed in a health system. Morphine is sold under many trade names . Primarily hepatic (90\\%), converted to dihydromorphinone and normorphineand is) also converted to morphine-3-glucuronide (M3G) and morphine-6-glucuronide. Virtually all morphine is converted to glucuronide metabolites; only a small fraction (less than 5\\%) of absorbed morphine is demethylated (DrugBank). In the treatment of morphine overdosage, primary attention should be given to the re- establishment of a patent airway and institution of assisted or controlled ventilation. Supportive measures (including oxygen, vasopressors) should be employed in the management of circulatory shock and pulmonary edema accompanying overdose as indicated. Cardiac arrest or arrhythmias may require cardiac massage or defibrillation. The pure opioid antagonists, such as naloxone, are specific antidotes against respiratory depression which results from opioid overdose. Naloxone should be administered intravenously; however, because its duration of action is relatively short, the patient must be carefully monitored until spontaneous respiration is reliably re-established. If the response to naloxone is suboptimal or not sustained, additional naloxone may be administered, as needed, or given by continuous infusion to maintain alertness and respiratory function; however, there is no information available about the cumulative dose of naloxone that may be safely administered (L1712) (T3DB). Morphine is the principal alkaloid in opium and the prototype opiate analgesic and narcotic. In 2017, morphine was the 155th most commonly prescribed medication in the United States, with more than four million prescriptions. Morphine is used primarily to treat both acute and chronic severe pain. Its duration of analgesia is about three to seven hours. A large overdose of morphine can cause asphyxia and death by respiratory depression if the person does not receive medical attention immediately. Morphine is naturally produced by several plants (such as the opium poppy) and animals (PMID: 22578954). Morphine was first isolated between 1803 and 1805 by Friedrich Sertürner. Sertürner originally named the substance morphium after the Greek god of dreams, Morpheus, as it has a tendency to cause sleep. The primary source of morphine is isolation from poppy straw of the opium poppy. Morphine is also endogenously produced by humans. In the mid 2000s it was found morphine can be synthesized by white blood cells (PMID 22578954). CYP2D6, a cytochrome P450 isoenzyme, catalyzes the biosynthesis of morphine from codeine and dopamine from tyramine. The morphine biosynthetic pathway in humans occurs as follows: L-tyrosine -> para-tyramine or L-DOPA -> dopamine -> (S)-norlaudanosoline -> (S)-reticuline -> 1,2-dehydroretinulinium -> (R)-reticuline -> salutaridine -> salutaridinol -> thebaine -> neopinone -> codeinone -> codeine -> morphine. (S)-Norlaudanosoline (also known as tetrahydropapaveroline) which is an important intermediate in the WBC biosynthesis of morphine can also be synthesized from 3,4-dihydroxyphenylacetaldehyde (DOPAL), a metabolite of L-DOPA and dopamine. Morphine has widespread effects in the central nervous system and on smooth muscle (PMID: 4582903). The precise mechanism of the analgesic action of morphine is not fully known. However, specific CNS opiate receptors have been identified and likely play a role in the induction of analgesic effects. Morphine first acts on the mu-opioid receptors. The mechanism of respiratory depression involves a reduction in the responsiveness of the brain stem respiratory centers to increases in carbon dioxide tension and electrical stimulation. It has been shown that morphine binds to and inhibits GABA inhibitory interneurons. These interneurons normally inhibit the descending pain inhibition pathway. So, without the inhibitory signals, pain modulation can proceed downstream. When the dose of morphine is reduced after long-term use, opioid withdrawal symptoms such as drowsiness, vomiting, and constipation may also occur (PMID: 23244430). Morphine is only found in easily detectable quantities in individuals that have used or taken this drug. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist > C1657 - Opiate N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AA - Natural opium alkaloids relative retention time with respect to 9-anthracene Carboxylic Acid is 0.056 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.054 D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; EAWAG_UCHEM_ID 2744 CONFIDENCE standard compound; INTERNAL_ID 1580
Probenecid
The prototypical uricosuric agent. It inhibits the renal excretion of organic anions and reduces tubular reabsorption of urate. Probenecid has also been used to treat patients with renal impairment, and, because it reduces the renal tubular excretion of other drugs, has been used as an adjunct to antibacterial therapy. [PubChem] CONFIDENCE standard compound; INTERNAL_ID 208; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4243; ORIGINAL_PRECURSOR_SCAN_NO 4241 CONFIDENCE standard compound; INTERNAL_ID 208; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4209; ORIGINAL_PRECURSOR_SCAN_NO 4206 CONFIDENCE standard compound; INTERNAL_ID 208; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4239; ORIGINAL_PRECURSOR_SCAN_NO 4234 ORIGINAL_PRECURSOR_SCAN_NO 4241; CONFIDENCE standard compound; INTERNAL_ID 208; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4243 CONFIDENCE standard compound; INTERNAL_ID 208; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4238; ORIGINAL_PRECURSOR_SCAN_NO 4234 CONFIDENCE standard compound; INTERNAL_ID 208; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4245; ORIGINAL_PRECURSOR_SCAN_NO 4243 CONFIDENCE standard compound; INTERNAL_ID 208; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4200; ORIGINAL_PRECURSOR_SCAN_NO 4198 M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AB - Preparations increasing uric acid excretion D018501 - Antirheumatic Agents > D006074 - Gout Suppressants > D014528 - Uricosuric Agents C26170 - Protective Agent > C921 - Uricosuric Agent D010592 - Pharmaceutic Aids
Hydromorphone
Hydromorphone is only found in individuals that have used or taken this drug. It is an opioid analgesic derived from morphine and used mainly as an analgesic. It has a shorter duration of action and is more potent than morphine. [PubChem]Hydromorphone is a narcotic analgesic; its principal therapeutic effect is relief of pain. Hydromorphone interacts predominantly with the opioid mu-receptors. These mu-binding sites are discretely distributed in the human brain, with high densities in the posterior amygdala, hypothalamus, thalamus, nucleus caudatus, putamen, and certain cortical areas. They are also found on the terminal axons of primary afferents within laminae I and II (substantia gelatinosa) of the spinal cord and in the spinal nucleus of the trigeminal nerve. In clinical settings, Hydromorphone exerts its principal pharmacological effect on the central nervous system and gastrointestinal tract. Hydromorphone also binds with kappa-receptors which are thought to mediate spinal analgesia, miosis and sedation. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AA - Natural opium alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
Leucomethylene blue
C26170 - Protective Agent > C1509 - Neuroprotective Agent
Arborinine
Arborinine is found in herbs and spices. Arborinine is an alkaloid from Ruta graveolens (rue
Apohyoscine
Aposcopolamine is an alkaloid that can be isolated from Datura ferox. Aposcopolamin can closely binds with ACHE, ADRA2A and CHRM2. Aposcopolamine can be used for the research of Alzheimer's disease[1]. Aposcopolamine is an alkaloid that can be isolated from Datura ferox. Aposcopolamin can closely binds with ACHE, ADRA2A and CHRM2. Aposcopolamine can be used for the research of Alzheimer's disease[1]. Aposcopolamine is an alkaloid that can be isolated from Datura ferox. Aposcopolamin can closely binds with ACHE, ADRA2A and CHRM2. Aposcopolamine can be used for the research of Alzheimer's disease[1].
Fludarabine
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BB - Purine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2150 - Ribonucleotide Reductase Inhibitor D000970 - Antineoplastic Agents Fludarabine (NSC 118218) is a DNA synthesis inhibitor and a fluorinated purine analogue with antineoplastic activity in lymphoproliferative malignancies. Fludarabine inhibits the cytokine-induced activation of STAT1 and STAT1-dependent gene transcription in normal resting or activated lymphocytes[1][2][3][4].
Vidarabine monohydrate
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent D009676 - Noxae > D000963 - Antimetabolites Vidarabine monohydrate is an adenine arabinoside. Vidarabine monohydrate an antiviral agent which is active against herpes simplex viruses (HSV) and varicella zoster viruses[1].
Coclaurine
Coclaurine, also known as (r,s)-coclaurine or machiline, is a member of the class of compounds known as benzylisoquinolines. Benzylisoquinolines are organic compounds containing an isoquinoline to which a benzyl group is attached. Coclaurine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Coclaurine can be found in custard apple and soursop, which makes coclaurine a potential biomarker for the consumption of these food products. Coclaurine is a nicotinic acetylcholine receptor antagonist which has been isolated from a variety of plant sources including Nelumbo nucifera, Sarcopetalum harveyanum, Ocotea duckei, and others. It belongs to the class of tetrahydroisoquinoline alkaloids. Dimerization of coclaurine leads to the biscoclaurine alkaloids such as cepharanthine .
N-Acetylcytidine
Cytidine in which one of the exocyclic amino hydrogens is substituted by an acetyl group. N4-Acetylcytidine is an endogenous metabolite. N4-Acetylcytidine is an endogenous metabolite.
N4-Acetylcytidine
N4-Acetylcytidine is a modified nucleoside. N4-acetylcytidine is an endogenous urinary nucleoside product of the degradation of transfer ribonucleic acid (tRNA); urinary nucleosides are biological markers for patients with colorectal cancer. tRNA has been shown to be excreted in abnormal amounts in the urine of cancer patients. tRNA from neoplastic tissue had a much more rapid turnover rate than the tRNA from the corresponding normal tissue. Evidence indicates that methylation of tRNA occurs only after synthesis of the intact macromolecule. Because there are no specific enzyme systems to incorporate the modified nucleosides into the macromolecular nucleic acid, these nucleosides once released in the process of tRNA turnover cannot be reutilized, nor are they further degraded, but are excreted in urine. (PMID: 15991285, 3506820) [HMDB] N4-Acetylcytidine is a modified nucleoside. N4-acetylcytidine is an endogenous urinary nucleoside product of the degradation of transfer ribonucleic acid (tRNA); urinary nucleosides are biological markers for patients with colorectal cancer. tRNA has been shown to be excreted in abnormal amounts in the urine of cancer patients. tRNA from neoplastic tissue had a much more rapid turnover rate than the tRNA from the corresponding normal tissue. Evidence indicates that methylation of tRNA occurs only after synthesis of the intact macromolecule. Because there are no specific enzyme systems to incorporate the modified nucleosides into the macromolecular nucleic acid, these nucleosides once released in the process of tRNA turnover cannot be reutilized, nor are they further degraded, but are excreted in urine. (PMID: 15991285, 3506820). N4-Acetylcytidine is an endogenous metabolite. N4-Acetylcytidine is an endogenous metabolite.
Isothipendyl
Isothipendyl is only found in individuals that have used or taken this drug. It is an antihistamine and anticholinergic used as an antipruritic.Isothipendyl is a selective histamine H1 antagonist and binds to the histamine H1 receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine. D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
Cladribine
Cladribine is only found in individuals that have used or taken this drug. It is an antineoplastic agent used in the treatment of lymphoproliferative diseases including hairy-cell leukemia. [PubChem]Cladribine is structurally related to fludarabine and pentostatin but has a different mechanism of action. Although the exact mechanism of action has not been fully determined, evidence shows that cladribine is phosphorylated by deoxycytidine kinase to the nucleotidecladribine triphosphate (CdATP; 2-chloro-2′-deoxyadenosine 5′-triphosphate), which accumulates and is incorporated into DNA in cells such as lymphocytes that contain high levels of deoxycytidine kinase and low levels of deoxynucleotidase, resulting in DNA strand breakage and inhibition of DNA synthesis and repair. High levels of CdATP also appear to inhibit ribonucleotide reductase, which leads to an imbalance in triphosphorylated deoxynucleotide (dNTP) pools and subsequent DNA strand breaks, inhibition of DNA synthesis and repair, nicotinamide adenine dinucleotide (NAD) and ATP depletion, and cell death. Unlike other antimetabolite drugs, cladribine has cytotoxic effects on resting as well as proliferating lymphocytes. However, it does cause cells to accumulate at the G1/S phase junction, suggesting that cytotoxicity is associated with events critical to cell entry into S phase. It also binds purine nucleoside phosphorylase (PNP), however no relationship between this binding and a mechanism of action has been established. L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BB - Purine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents C471 - Enzyme Inhibitor > C2157 - Adenosine Deaminase Inhibitor C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D000970 - Antineoplastic Agents Cladribine (2-Chloro-2′-deoxyadenosine), a purine nucleoside analog, is an orally active adenosine deaminase inhibitor. Cladribine functions as an inhibitor of DNA synthesis to block the repair of the damaged DNA. Cladribine can inhibit DNA methylation. Cladribine has anti-lymphoma activity. Cladribine can be used for the research of several hematologic malignancies and multiple sclerosis[1][2].
7-Aminoclonazepam
7-aminoclonazepam belongs to the family of Benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
Secodemethylclausenamide
Secodemethylclausenamide is found in fruits. Secodemethylclausenamide is an alkaloid from Clausena lansium (wampee). Alkaloid from Clausena lansium (wampee). Secodemethylclausenamide is found in fruits.
norhydrocodone
norhydrocodone is a metabolite of hydrocodone. Hydrocodone or dihydrocodeinone is a semi-synthetic opioid derived from either of two naturally occurring opiates: codeine and thebaine. It is an orally active narcotic analgesic and antitussive. It is available in tablet, capsule, and syrup form. (Wikipedia) D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
Glycylprolylhydroxyproline
Glycylprolylhydroxyproline is a tripeptide that has been found in urine and blood serum (PMID 5134921). In growing children, higher level excretion of urinary hydroxyproline peptides (including glycylprolylhydroxyproline) has been observed (PMID 14105582). [HMDB] Glycylprolylhydroxyproline is a tripeptide that has been found in urine and blood serum (PMID: 5134921). In growing children, higher level excretion of urinary hydroxyproline peptides (including glycylprolylhydroxyproline) has been observed (PMID: 14105582).
(-)-Morphine
(-)-Morphine is found in green vegetables. (-)-Morphine is a principal alkaloid of opium (Papaver somniferum). Minor constituent of lettuce. Principal alkaloid of opium (Papaver somniferum). Minor constituent of lettuce. (-)-Morphine is found in green vegetables.
Faropenem
Faropenem is an orally active beta-lactam antibiotic belonging to the penem group. It is resistant to some forms of extended-spectrum beta-lactamase. It is available for oral use. Faropenem was developed by Daiichi Asubio Pharma, which markets it in two forms. The sodium salt faropenem sodium, available under the trade name Farom, has been marketed in Japan since 1997. (CID 636379 from PubChem) The prodrug form faropenem medoxomil (also known as faropenem daloxate) has been licensed from Daiichi Asubio Pharma by Replidyne, which plans to market it in conjunction with Forest Pharmaceuticals. The trade name proposed for the product was Orapem, but company officials recently announced this name was rejected by the FDA.
dimethylidenebutanedioylcarnitine
dimethylidenebutanedioylcarnitine is an acylcarnitine. More specifically, it is an dimethylidenebutanedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. dimethylidenebutanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine dimethylidenebutanedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
(2E,4E)-Hexa-2,4-dienedioylcarnitine
(2E,4E)-hexa-2,4-dienedioylcarnitine is an acylcarnitine. More specifically, it is an (2E,4E)-hexa-2,4-dienedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. (2E,4E)-hexa-2,4-dienedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine (2E,4E)-hexa-2,4-dienedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Asenapine
2,5-Dioxopyrrolidin-1-yl quinolin-6-ylcarbamate
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
3-Carbamyl-(3'-picolyl)-4-methoxy-1-benzamide
5-(4-Fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
Acetamide, N-hydroxy-N-(1-(4-(phenylmethoxy)phenyl)ethyl)-
D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors
4-(2-Methoxyphenyl)-2-((5-methyl-1H-imidazol-4-yl)methyl)thiazole
Galanthaminone
N-Norcodeine
5-(1,3-Benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
Prothipendyl
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics
2-Chloro-9-(2-deoxy-beta-D-arabinofuranosyl)adenine
2-(3-(Diallylamino)propionyl)benzothiophene
3H-1,4-Benzodiazepin-2-amine, 7-chloro-5-phenyl-, 4-oxide
Theasaponin E3
Theasaponin e3 is a member of the class of compounds known as quinazolines. Quinazolines are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring. Theasaponin e3 is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Theasaponin e3 can be found in tea, which makes theasaponin e3 a potential biomarker for the consumption of this food product.
taxol side chain
N-Benzoyl-(2R,3S)-3-phenylisoserine is a Taxol C-13 Side Chain and crucial for the strong antitumor activity of Taxol[1].
(2-Methyl-1H-indol-3-yl)(naphthalen-1-yl)methanone
1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Piperine
Constituent of pepper (Piper nigrum) (Piperaceae). Isopiperine is found in herbs and spices and pepper (spice). C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic Origin: Plant; SubCategory_DNP: Alkaloids derived from lysine, Piperidine alkaloids D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors Annotation level-1 MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; MXXWOMGUGJBKIW-YPCIICBESA-N_STSL_0203_Piperine_0031fmol_180831_S2_L02M02_45; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. relative retention time with respect to 9-anthracene Carboxylic Acid is 1.245 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.243 Piperine, a natural alkaloid isolated from Piper nigrum L, inhibits P-glycoprotein and CYP3A4 activities with an IC50 value of 61.94±0.054 μg/mL in HeLa cell. Piperine, a natural alkaloid isolated from Piper nigrum L, inhibits P-glycoprotein and CYP3A4 activities with an IC50 value of 61.94±0.054 μg/mL in HeLa cell.
O1-(3-amino-phenyl)-beta-D-glucopyranuronic acid|O1-(3-Amino-phenyl)-beta-D-glucopyranuronsaeure
8-isopropenyl-10-methyl-7,10-dihydro-8H-[1,3]dioxolo[4,5-h]furo[2,3-b]quinolin-6-one|Ptelefolidon|Ptelefolidone
2,4-dimethyl-3-pyrrolylcarbonyl alpha-L-rhamnopyranoside
3-hydroxy-2,4-dimethoxy-10-methyl-10H-acridin-9-one|3-hydroxy-2,4-dimethoxy-10-methyl-9-acridinone
2,5-Dioxo-3-isopropyl-1H-pyrrole-1-propanoic acid 2,3-dihydroxypropyl ester
4-hydroxyphenethyl 3-oxo-2,3-dihydro-1H-pyrrolizine-2-carboxylate
2-[(Benzyloxy)amino]-3-phenylpropanoic acid methyl ester
1-Hydroxy-3,5-dimethoxy-10-methylacridine-9(10H)-one
Cladribine
L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BB - Purine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents C471 - Enzyme Inhibitor > C2157 - Adenosine Deaminase Inhibitor C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 1343; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2617; ORIGINAL_PRECURSOR_SCAN_NO 2616 CONFIDENCE standard compound; INTERNAL_ID 1343; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2634; ORIGINAL_PRECURSOR_SCAN_NO 2632 CONFIDENCE standard compound; INTERNAL_ID 1343; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2626; ORIGINAL_PRECURSOR_SCAN_NO 2625 CONFIDENCE standard compound; INTERNAL_ID 1343; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2623; ORIGINAL_PRECURSOR_SCAN_NO 2621 CONFIDENCE standard compound; INTERNAL_ID 1343; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2643; ORIGINAL_PRECURSOR_SCAN_NO 2642 CONFIDENCE standard compound; INTERNAL_ID 1343; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2641; ORIGINAL_PRECURSOR_SCAN_NO 2639 CONFIDENCE standard compound; INTERNAL_ID 1343; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5653; ORIGINAL_PRECURSOR_SCAN_NO 5650 CONFIDENCE standard compound; INTERNAL_ID 1343; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5671; ORIGINAL_PRECURSOR_SCAN_NO 5668 CONFIDENCE standard compound; INTERNAL_ID 1343; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5700; ORIGINAL_PRECURSOR_SCAN_NO 5699 CONFIDENCE standard compound; INTERNAL_ID 1343; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5680; ORIGINAL_PRECURSOR_SCAN_NO 5677 CONFIDENCE standard compound; INTERNAL_ID 1343; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5706; ORIGINAL_PRECURSOR_SCAN_NO 5702 CONFIDENCE standard compound; INTERNAL_ID 1343; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5693; ORIGINAL_PRECURSOR_SCAN_NO 5691 Cladribine (2-Chloro-2′-deoxyadenosine), a purine nucleoside analog, is an orally active adenosine deaminase inhibitor. Cladribine functions as an inhibitor of DNA synthesis to block the repair of the damaged DNA. Cladribine can inhibit DNA methylation. Cladribine has anti-lymphoma activity. Cladribine can be used for the research of several hematologic malignancies and multiple sclerosis[1][2].
probenecid
M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AB - Preparations increasing uric acid excretion D018501 - Antirheumatic Agents > D006074 - Gout Suppressants > D014528 - Uricosuric Agents C26170 - Protective Agent > C921 - Uricosuric Agent D010592 - Pharmaceutic Aids
2-hydroxy-1,3-dimethoxy-10-methylacridin-9-one
norcodeine
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist > C1657 - Opiate A morphinane-like compound that is the N-demethylated derivative of codeine.
C16H15NO4_2(1H)-Quinolinone, 3,4-dihydro-3,4-dihydroxy-4-(4-methoxyphenyl)
hydromorphone
A morphinane alkaloid that is a hydrogenated ketone derivative of morphine. A semi-synthetic drug, it is a centrally acting pain medication of the opioid class. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids N - Nervous system > N02 - Analgesics > N02A - Opioids > N02AA - Natural opium alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
2-hydroxy-1,3-dimethoxy-10-methylacridin-9-one [IIN-based: Match]
2-hydroxy-1,3-dimethoxy-10-methylacridin-9-one [IIN-based on: CCMSLIB00000848955]
Piperin
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors Piperine, a natural alkaloid isolated from Piper nigrum L, inhibits P-glycoprotein and CYP3A4 activities with an IC50 value of 61.94±0.054 μg/mL in HeLa cell. Piperine, a natural alkaloid isolated from Piper nigrum L, inhibits P-glycoprotein and CYP3A4 activities with an IC50 value of 61.94±0.054 μg/mL in HeLa cell.
4-Acetylcytidine
N4-Acetylcytidine is an endogenous metabolite. N4-Acetylcytidine is an endogenous metabolite.
Isothipendyl
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
(-)-Morphine
3,4-Dihydroxy-4-(4-methoxyphenyl)-3,4-dihydro-2(1H)-quinolinone
4-HYDROXY-1-[(4-METHYLPHENYL)SULFONYL]-2-PYRROLIDINECARBOXYLIC ACID
2-(3-(tert-butoxycarbonyl)phenyl)-3-Methylpyridin-1-ium hydroxide
3-AMINO-7-CHLORO-5-PHENYL-1,3-DIHYDRO-BENZO[E][1,4]DIAZEPIN-2-ONE
Epinastin HCl
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Epinastine hydrochloride (WAL801 hydrochloride) is an antihistamine and mast cell stabilizer. Epinastine hydrochloride is a potent, selective and orally-active histamine H1 receptor antagonist. Epinastine hydrochloride also inhibits IL-8 release and has an antiallergic action[1][2][3].
(2-Methyl-5-(morpholinosulfonyl)phenyl)boronic acid
flunoxaprofen
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CC - Antiinflammatory products for vaginal administration C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
4-Pyridinecarboxylicacid, 2-[(3,4-dimethoxyphenyl)methylene]hydrazide
2-Fluoroadenosine
2-Fluoroadenosine (2FA) is a nucleoside analogue. 2-Fluoroadenosine has antibacterial activity with IC50 value of 0.842 mM for Vibrio microvibrio[1].
1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
Piperazine, 1-[4-(methylsulfonyl)-2-nitrophenyl]- (9CI)
9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-2-carboxylic acid
Methyl 2-[4-(4-piperidinyloxy)phenyl]acetatehydrochloride
(2R,4S)-4-hydroxy-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxylate
3-(5-methoxy-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-5-methyl-1,2,4-oxadiazole
Methyl 3-(5-Methyl-2-(trifluoromethyl)-1H-indol-3-yl)propanoate
(3S)-3-Benzyl-7a-(trifluoromethyl)tetrahydropyrrolo[2,1-b]oxa-zol-5(6H)-one
(3R)-3-Benzyl-7a-(trifluoromethyl)tetrahydropyrrolo[2,1-b]oxazol-5(6H)-one
2,3,4,5-Tetrahydro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine-7,8-diamine
5-METHOXY-3-(METHYLCARBAMOYL)-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
7-nitro-4-(pyridin-2-ylmethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
5-(furan-2-yl)-3-p-tolyl-4,5-dihydro-1h-pyrazole-1-carbothioamide
tert-butyl N-[(4-methylphenyl)sulfonylmethyl]carbamate
2-AMINO-6-CHLORO-9-(BETA-D-2-DEOXYRIBOFURANOSYL)PURINE
Ethyl 4-oxo-7-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylate
Methyl 8-methyl-4-oxo-5-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylate
6-NITRO-4-(PYRIDINE-2-YLMETHYL)-1,4-BENZOXAZIN-3(4H)-ONE
1-pyridin-3-ylmethyl-pyrrolidin-3-ylamine trihydrochloride
Benzeneacetic acid,2-chloro-a-[[(1,1-dimethylethoxy)carbonyl]amino]-
[5-chloro-2-(cyclopropylmethylamino)phenyl]-phenylmethanone
5-(2-Fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
(4-((((Benzyloxy)carbonyl)amino)methyl)phenyl)boronic acid
1-FURAN-2-YL-2-[2-(2-HYDROXY-ETHYLAMINO)-BENZOIMIDAZOL-1-YL]-ETHANONE
2-CHLORO-N-[2-(3,4-DIETHOXY-PHENYL)-ETHYL]-ACETAMIDE
1-[(4-chlorophenyl)methyl]-5-methylindole-2,3-dione
(4-((4-METHOXYBENZYL)CARBAMOYL)PHENYL)BORONIC ACID
Methyl 7-fluoro-6-(phenylamino)-1H-benzo[d]imidazole-5-carboxylate
POTASSIUM [2-(BENZYLOXYCARBONYLAMINO)ETHYL] TRIFLUOROBORATE
(S)-6-(PROPYLAMINO)-5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL HYDROBROMIDE
Ethyl 4-hydroxy-8-(trifluoromethyl)quinoline-3-carboxylate
Asenapine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AH - Diazepines, oxazepines, thiazepines and oxepines D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants An organic heterotetracyclic compound that is 2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole bearing methyl and chloro substituents at positions 2 and 5 respectively. C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Asenapine (Org 5222), an atypical antipsychotic, is an antagonist of serotonin receptors (pKi: 8.4-10.5), adrenoceptors (pKi: 8.9-9.5), dopamine receptors (pKi: 8.9-9.4) and histamine receptors (pKi: 8.2-9.0). Asenapine can be used in the research of schizophrenia and bipolar disorder[1][2].
(3aR,5R,5aS,8aS,8bR)-5-(azidomethyl)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydro-3aH-di[1,3]dioxolo[4,5-a:5,4-d]pyran
(R)-3-((tert-butoxycarbonyl)amino)-4-(thiophen-3-yl)butanoic acid
1-propenyl-2,3-diMethyliMidazoliuM hexafluorophosphate
(4-(N-(3-Methylbutanoyl)sulfamoyl)phenyl)boronic acid
3-Quinolinecarboxylicacid, 4-hydroxy-7-(trifluoromethyl)-, ethyl ester
(S)-2-((TERT-BUTOXYCARBONYL)AMINO)-2-(4-CHLOROPHENYL)ACETIC ACID
(2R)-2-(3-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
METHYL 5-OXO-6-(PYRIDIN-2-YLAMINO)-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYLATE
7,8-dimethyl-4,5-dioxo-6H-pyrano[3,2-c]quinoline-2-carboxylic acid
(3-((4-Methoxybenzyl)carbamoyl)phenyl)boronic acid
1,3-Dimethoxy-5-[2-(4-nitro-phenyl)-vinyl]-benzene
(+)-PD 128,907 HCl
(+)-PD 128907 hydrochloride is a selective dopamine D2/D3 receptor agonist, with Kis of 1.7, 0.84 nM for human and rat D3 receptors, 179, 770 n M for human and rat D3 receptors, respectively.
Ethyl 4-hydroxy-2-(trifluoromethyl)quinoline-3-carboxylate
Ethyl 5-(2-(tert-butoxycarbonylamino)ethyl)-1,2,4-oxadiazole-3-carboxylate
Ethyl 5-(aminomethyl)-1,3,4-oxadiazole-2-carboxylate
7-benzoyl-2,4-dimethyl-2,4,7,8,9-pentazabicyclo[4.3.0]nona-8,10-diene-3,5-dione
1H-Benz[g]indole-3-carboxaldehyde,2-(2-methylphenyl)-(9CI)
3-{[(tert-Butoxycarbonyl)amino]methyl}-4-chlorobenzoic acid
(S)-ethyl 2-(1-(tert-butoxycarbonyl)ethyl)thiazole-5-carboxylate
2-[2-chloro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
n-(3-n-butoxy-2-hydroxypropyl)iminodiacetic acid monosodium salt
8-(4-fluorophenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
4-(4-(HYDROXYMETHYL)-2-METHOXY-5-NITROPHENOXY)BUTANOIC ACID
5-(1-methylcyclopropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
METHYL 3-METHYL-5-[4-(TRIFLUOROMETHYL)PHENYL]ISOXAZOLE-4-CARBOXYLATE
Benzyl 4-hydrazinylpiperidine-1-carboxylate hydrochloride
2-(4-Dimethylamino-2-hydroxy-benzoyl)-benzoic acid
ETHYL 5-(4-(TRIFLUOROMETHYL)PHENYL)ISOXAZOLE-3-CARBOXYLATE
4-[2-(1-Pipiridine)ethoxybenzoic acid hydrochloride
Ethyl 4-hydroxy-6-(trifluoromethyl)quinoline-3-carboxylate
4-[(TETRAHYDRO-FURAN-2-YLMETHYL)-SULFAMOYL]-BENZOIC ACID
N-(4-Cyclopropyl-1-naphthalenyl)-2-formylhydrazinecarbothioamide
(2S)-2-Amino-4-methyl-1-[(2S)-2-methyl-2-oxiranyl]-1-pentanone trifluoroacetate (1:1)
[3-(methylthio)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amine hydrochloride
3-Azido-3-deoxy-1,2:5,6-bis-O-(1-methylethylidene)-alpha-D-galactofuranose
2-Azido-1,3-dimethylimidazolinium hexafluorophosphate
5-(3-TRIFLUOROMETHYLPHENYL)-ISOXAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
2-{[(4-Methoxy-3-Methyl-2-Pyridinyl)Methyl]Sulfanyl}-1H-Benzimidazole
(4-Methoxy-3-(pyrrolidin-1-ylsulfonyl)phenyl)boronic acid
2-(4-((2-Aminophenyl)sulfonyl)piperazin-1-yl)ethanol
(2-Methyl-4-(morpholinosulfonyl)phenyl)boronic acid
2,5-Pyrrolidinedicarboxylic acid, 1-(phenylmethyl)-, hydrochloride (9CI)
1-[2-(4-CHLOROPHENYL)-7-METHYLPYRAZOLO[1,5-A]PYRIMIDIN-6-YL]ETHAN-1-ONE
2′-Deoxy-2′-fluoroguanosine
2′-Deoxy-2′-fluoroguanosine, a nucleoside analog, is a potent inhibitor of influenza virus strains, with an EC90 of <0.35 μM for influenza virus A and B strains. 2′-Deoxy-2′-fluoroguanosine significantly inhibits replication of influenza virus in the upper respiratory tract, resulting in amelioration of fever and nasal inflammation[1][2].
(2S)-2-Amino-4-methyl-1-[(2R)-2-methyloxiranyl]-1-pentanone trifluoroacetate
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzothiophene-5-carbonitrile
2-(6-Amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
D000970 - Antineoplastic Agents
5-BENZOXAZOLEACETIC ACID, 2-(4-FLUOROPHENYL)-alpha-METHYL-
5-(6-Amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
N-(2-furanylmethyl)-3-methyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[1,2-c]pyrimidin-1-amine
2-[(1-Oxo-2-phenoxyethyl)amino]benzoic acid methyl ester
5-methyl-N-[4-(2-pyridinyl)-2-thiazolyl]-2-furancarboxamide
3-[2-(3-Methylphenoxy)ethyl]-1,3-benzothiazol-2-one
3-[2-(4-Methylphenoxy)ethyl]-1,3-benzothiazol-2-one
4-N-hydroxy-1-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
Acetamide, N-(2,3-dihydroxy-5-(4-methylbenzoyl)phenyl)-
4-[(Cyclopropylethynyl)oxy]-6-fluoro-3-isopropylquinolin-2(1H)-one
2-[4-(Dimethylamino)phenyl]-6-Hydroxy-3-Methyl-1,3-Benzothiazol-3-Ium
Prothipendyl
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics
Femara
L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BG - Aromatase inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D047072 - Aromatase Inhibitors C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D000970 - Antineoplastic Agents Letrozole (CGS 20267) is a potent, selective, reversible and orally active non-steroidal inhibitor of aromatase, with an IC50 of 11.5 nM. Letrozole selective inhibits estrogen biosynthesis, and can be used for the research of breast cancer[1][2][3].
3,4-Dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one
N-[1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
Coformycin(1+)
The conjugate acid of coformycin arising from protonation of the imine nitrogen.
gentisate 5-O-beta-D-xylopyranoside
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
(Z)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-1-olate
4-dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naptho-[2,3-c]-pyran-3-(S)-acetic acid
(2S,4R,5R,6R)-6-(4-amino-2-oxopyrimidin-1-yl)-4,5-dihydroxy-3-oxooxane-2-carboxylic acid
2-(6-amino-2-fluoro-7H-purin-8-yl)oxane-3,4,5-triol
4-butyl-3-(4-chloro-1,5-dimethyl-3-pyrazolyl)-1H-1,2,4-triazole-5-thione
N-(1-propyl-5-benzimidazolyl)-2-thiophenecarboxamide
3-[4-(2-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]-1H-pyridazin-6-one
N-(3-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide
N-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)thio]acetamide
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-fluorophenoxy)ethanone
7-Chloro-2-methyl-3-(pyridin-4-ylmethyl)quinazolin-4-one
Gly-pro-hyp
A tripeptide composed of glycine, L-proline and 3-hydroxy-L-proline units joined in sequence by peptide linkages.
N-(5-amino-1-phenyl-1,2,4-triazol-3-yl)-2-thiophenecarboxamide
2-(2-Fluorophenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
1-Butyl-3-[[(4,5-dimethyl-3-thiophenyl)-oxomethyl]amino]thiourea
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophenecarboxamide
1-Tert-butyl-3-[[(2-chlorophenyl)-oxomethyl]amino]thiourea
2-(4-Chloro-2-methylphenoxy)acetic acid [2-(ethylamino)-2-oxoethyl] ester
(3-Chloro-phenyl)-(6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-yl)-amine
rubrofusarin B(1-)
A phenolate anion obtained by deprotonation of the 5-hydroxy group of rubrofusarin B. It is the major microspecies at pH 7.3.
6-chloro-4-hydroxy-3-(phenylmethyl)-1H-quinolin-2-one
(2R,5R)-2-(6-amino-2-fluoro-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol
(3R)-5-(6-amino-2-chloro-9-purinyl)-2-(hydroxymethyl)-3-oxolanol
6beta-[(S)-1-hydroxyethyl]-2-[(R)-tetrahydrofuran-2-yl]pen-2-em-3-carboxylic acid
1-(4-Trifluoromethylphenyl)-2-methyl-3-pyrrolidino-1-propanone
4-[[4-[Nitroso(oxo)methyl]phenyl]hydrazo]benzoic acid
2,3-dihydrobiochanin A(1-)
Conjugate base of 2,3-dihydrobiochanin A arising from selective deprotonation of the 7-hydroxy group.
(5R)-6-(1-hydroxyethyl)-7-oxo-3-[(2R)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-(oxolan-2-yl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
3-Methyl-4-thiophen-2-yl-2,4,4a,6,7,8-hexahydropyrazolo[3,4-b]quinolin-5-one
2-methylpropanoic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester
(5R,6S)-6-[(1S)-1-hydroxyethyl]-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
(1R,10S,11R,12R,13S,14R)-3-amino-11-(hydroxymethyl)-6,9-dioxa-2,4-diazapentacyclo[8.3.1.01,7.05,13.08,12]tetradec-3-ene-8,11,14-triol
2-[[(2R)-2-formamido-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
1,3-Dimethoxy-2-hydroxy-10-methyl-9(10h)-acridinone
(3-Ethoxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphate
2-Aminoethyl (2-hydroxy-3-pentoxypropyl) hydrogen phosphate
[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] butanoate
Vidarabine monohydrate
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent D009676 - Noxae > D000963 - Antimetabolites Vidarabine monohydrate is an adenine arabinoside. Vidarabine monohydrate an antiviral agent which is active against herpes simplex viruses (HSV) and varicella zoster viruses[1].
6alpha-[(R)-1-hydroxyethyl]-2-[(R)-tetrahydrofuran-2-yl]pen-2-em-3-carboxylic acid
(S,S)-asenapine
A 5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole in which both of the stereocentres have S configuration.
(R,R)-asenapine
A 5-chloro-2-methyl-2,3,3a,12b-tetrahydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole in which both of the stereocentres have R configuration.
4-nitrophenyl alpha-L-fucoside
An alpha-L-fucoside that is alpha-L-fucopyranose in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group.
catechol beta-D-glucuronide(1-)
A carbohydrate acid derivative anion resulting from the removal of a proton from the carboxy group of catechol beta-D-glucuronide.
2'-Deoxyguanosine monohydrate
2'-Deoxyguanosine monohydrate is an endogenous metabolite. 2'-Deoxyguanosine monohydrate is an endogenous metabolite.
4'-C-Azidouridine
4'-C-azidouridine (4'-Azidouridine) is a uridine analogue. Uridine has potential antiepileptic effects, and its analogs can be used to study anticonvulsant and anxiolytic activities, as well as to develop new antihypertensive agents[1]. 4'-C-Azidouridine is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.
Nucleoside-Analog-2
Nucleoside-Analog-2 is a 4'-Azidocytidine analogue against Hepatitis C virus (HCV) replication. Nucleoside-Analog-2 is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.
PI3K/Akt/mTOR-IN-2
PI3K/Akt/mTOR-IN-2 is a PI3K/AKT/mTOR pathway inhibitor. PI3K/Akt/mTOR-IN-2 possess anti-cancer effects and selectivity against MDA-MB-231 cells with IC50 value of 2.29 μM. PI3K/Akt/mTOR-IN-2 can induce cancer cell cycle arrest and apoptosis[1].
SIRT7 inhibitor 97491
SIRT7 inhibitor 97491, a potent SIRT7 inhibitor with an IC50 of 325 nM, reduces deacetylase activity of SIRT7 in a dose-dependent manner. SIRT7 inhibitor 97491 prevents tumor progression by increasing p53 stability through acetylation at K373/382. SIRT7 inhibitor 97491 promotes apoptosis through caspase pathway.[1].
(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl 2,4-dimethyl-1h-pyrrole-3-carboxylate
7-imino-2-methyl-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1³,¹².0⁵,¹¹.0⁵,¹⁴]pentadecane-2,4,12-triol
(2r)-2,3-bis(formyloxy)propoxy(2-(methylamino)ethoxy)phosphinic acid
2-hydroxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid
2-{[(5-hydroxy-2,5-dimethyl-4,6-dioxocyclohex-2-en-1-ylidene)amino]methyl}benzaldehyde
(13r)-16-methyl-13-(prop-1-en-2-yl)-3,5,14-trioxa-16-azatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,11(15)-tetraen-10-one
(2r,3r)-2-hydroxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid
4a,n-dedihydronoraugustamine
{"Ingredient_id": "HBIN010220","Ingredient_name": "4a,n-dedihydronoraugustamine","Alias": "NA","Ingredient_formula": "C16H15NO4","Ingredient_Smile": "C1CC2=NCCC23C4C1OC(O4)C5=CC6=C(C=C35)OCO6","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4865","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
