Exact Mass: 399.21579540000005
Exact Mass Matches: 399.21579540000005
Found 500 metabolites which its exact mass value is equals to given mass value 399.21579540000005,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Colchicine
Colchicine appears as odorless or nearly odorless pale yellow needles or powder that darkens on exposure to light. Used to treat gouty arthritis, pseudogout, sarcoidal arthritis and calcific tendinitis. (EPA, 1998) (S)-colchicine is a colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions. It has a role as a mutagen, an anti-inflammatory agent and a gout suppressant. It is a colchicine and an alkaloid. It is an enantiomer of a (R)-colchicine. Colchicine is an Alkaloid. Colchicine is a plant alkaloid that is widely used for treatment of gout. Colchicine has not been associated with acute liver injury or liver test abnormalities except with serious overdoses. Colchicine is a natural product found in Colchicum arenarium, Colchicum bivonae, and other organisms with data available. Colchicine is an alkaloid isolated from Colchicum autumnale with anti-gout and anti-inflammatory activities. The exact mechanism of action by which colchicines exerts its effect has not been completely established. Colchicine binds to tubulin, thereby interfering with the polymerization of tubulin, interrupting microtubule dynamics, and disrupting mitosis. This leads to an inhibition of migration of leukocytes and other inflammatory cells, thereby reducing the inflammatory response to deposited urate crystals. Colchicine may also interrupt the cycle of monosodium urate crystal deposition in joint tissues, thereby also preventing the resultant inflammatory response. Overall, colchicine decreases leukocyte chemotaxis/migration and phagocytosis to inflamed areas, and inhibits the formation and release of a chemotactic glycoprotein that is produced during phagocytosis of urate crystals. A major alkaloid from Colchicum autumnale L. and found also in other Colchicum species. Its primary therapeutic use is in the treatment of gout, but it has been used also in the therapy of familial Mediterranean fever (PERIODIC DISEASE). See also: Colchicine; probenecid (component of). Colchicine is only found in individuals that have used or taken this drug. It is a major alkaloid from Colchicum autumnale L. and found also in other Colchicum species. Its primary therapeutic use is in the treatment of gout, but it has been used also in the therapy of familial Mediterranean fever (periodic disease). [PubChem]The precise mechanism of action has not been completely established. In patients with gout, colchicine apparently interrupts the cycle of monosodium urate crystal deposition in joint tissues and the resultant inflammatory response that initiates and sustains an acute attack. Colchicine decreases leukocyte chemotaxis and phagocytosis and inhibits the formation and release of a chemotactic glycoprotein that is produced during phagocytosis of urate crystals. Colchicine also inhibits urate crystal deposition, which is enhanced by a low pH in the tissues, probably by inhibiting oxidation of glucose and subsequent lactic acid production in leukocytes. Colchicine has no analgesic or antihyperuricemic activity. Colchicine inhibits microtubule assembly in various cells, including leukocytes, probably by binding to and interfering with polymerization of the microtubule subunit tubulin. Although some studies have found that this action probably does not contribute significantly to colchicines antigout action, a recent in vitro study has shown that it may be at least partially involved. CONFIDENCE standard compound; INTERNAL_ID 328; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7704; ORIGINAL_PRECURSOR_SCAN_NO 7702 CONFIDENCE standard compound; INTERNAL_ID 328; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7690; ORIGINAL_PRECURSOR_SCAN_NO 7687 CONFIDENCE standard compound; INTERNAL_ID 328; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7668; ORIGINAL_PRECURSOR_SCAN_NO 7666 CONFIDENCE standard compound; INTERNAL_ID 328; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7693; ORIGINAL_PRECURSOR_SCAN_NO 7689 CONFIDENCE standard compound; INTERNAL_ID 328; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7645; ORIGINAL_PRECURSOR_SCAN_NO 7643 CONFIDENCE standard compound; INTERNAL_ID 328; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7687; ORIGINAL_PRECURSOR_SCAN_NO 7684 M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AC - Preparations with no effect on uric acid metabolism COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials, Guide to PHARMACOLOGY C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D018501 - Antirheumatic Agents > D006074 - Gout Suppressants CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2258 INTERNAL_ID 2258; CONFIDENCE Reference Standard (Level 1) [Raw Data] CB194_Colchicine_pos_30eV_CB000068.txt [Raw Data] CB194_Colchicine_pos_50eV_CB000068.txt [Raw Data] CB194_Colchicine_pos_10eV_CB000068.txt [Raw Data] CB194_Colchicine_pos_20eV_CB000068.txt [Raw Data] CB194_Colchicine_pos_40eV_CB000068.txt CONFIDENCE standard compound; INTERNAL_ID 1171 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Colchicine is a tubulin inhibitor and a microtubule disrupting agent. Colchicine inhibits microtubule polymerization with an IC50 of 3 nM[1][2][3]. Colchicine is also a competitive antagonist of the α3 glycine receptors (GlyRs)[4]. Colchicine is a tubulin inhibitor and a microtubule disrupting agent. Colchicine inhibits microtubule polymerization with an IC50 of 3 nM[1][2][3]. Colchicine is also a competitive antagonist of the α3 glycine receptors (GlyRs)[4].
Spiramine A
Spiramine A is a diterpenoid. It derives from a hydride of an atisane. Spiramine A is a natural product found in Spiraea japonica with data available.
Thiethylperazine
A dopamine antagonist that is particularly useful in treating the nausea and vomiting associated with anesthesia, mildly emetic cancer chemotherapy agents, radiation therapy, and toxins. This piperazine phenothiazine does not prevent vertigo or motion sickness. (From AMA Drug Evaluations Annual, 1994, p457) R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Thiethylperazine, a phenothiazine derivate, is an orally active and potent dopamine D2-receptor and histamine H1-receptor antagonist. Thiethylperazine is also a selective ABCC1activator that reduces amyloid-β (Aβ) load in mice. Thiethylperazine has anti-emetic, antipsychotic and antimicrobial effects[1][2][3].
Quinacrine
C23H30ClN3O (399.20772800000003)
An acridine derivative formerly widely used as an antimalarial but superseded by chloroquine in recent years. It has also been used as an anthelmintic and in the treatment of giardiasis and malignant effusions. It is used in cell biological experiments as an inhibitor of phospholipase A2. [PubChem] P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
candoxatrilat
C20H33NO7 (399.22569080000005)
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
Glaudine
Glaudine is found in opium poppy. Glaudine is an alkaloid from Papaver rhoeas (corn poppy) and Papaver somniferum (opium poppy
(5Z)-13-Carboxytridec-5-enoylcarnitine
C21H37NO6 (399.26207420000003)
(5Z)-13-Carboxytridec-5-enoylcarnitine is an acylcarnitine. More specifically, it is an (5Z)-tetradec-5-enedioic 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. (5Z)-13-Carboxytridec-5-enoylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine (5Z)-13-Carboxytridec-5-enoylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). 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].
(7Z)-Tetradec-7-enedioylcarnitine
C21H37NO6 (399.26207420000003)
(7Z)-Tetradec-7-enedioylcarnitine is an acylcarnitine. More specifically, it is an (7Z)-tetradec-7-enedioic 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. (7Z)-Tetradec-7-enedioylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine (7Z)-Tetradec-7-enedioylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). 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)-Tetradec-2-enedioylcarnitine
C21H37NO6 (399.26207420000003)
(2E)-Tetradec-2-enedioylcarnitine is an acylcarnitine. More specifically, it is an (2E)-tetradec-2-enedioic 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)-Tetradec-2-enedioylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine (2E)-Tetradec-2-enedioylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). 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].
(4Z)-Tetradec-4-enedioylcarnitine
C21H37NO6 (399.26207420000003)
(4Z)-Tetradec-4-enedioylcarnitine is an acylcarnitine. More specifically, it is an (4Z)-tetradec-4-enedioic 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. (4Z)-Tetradec-4-enedioylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine (4Z)-Tetradec-4-enedioylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). 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].
(5E)-Tetradec-5-enedioylcarnitine
C21H37NO6 (399.26207420000003)
(5E)-Tetradec-5-enedioylcarnitine is an acylcarnitine. More specifically, it is an (5E)-tetradec-5-enedioic 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. (5E)-Tetradec-5-enedioylcarnitine is therefore classified as a long chain AC. As a long-chain acylcarnitine (5E)-Tetradec-5-enedioylcarnitine is generally formed through esterification with long-chain fatty acids obtained from the diet. The main function of most long-chain acylcarnitines is to ensure long chain fatty acid transport into the mitochondria (PMID: 22804748). Altered levels of long-chain acylcarnitines can serve as useful markers for inherited disorders of long-chain fatty acid metabolism. Carnitine palmitoyltransferase I (CPT I, EC:2.3.1.21) is involved in the synthesis of long-chain acylcarnitines (more than C12) on the mitochondrial outer membrane. Elevated serum/plasma levels of long-chain acylcarnitines are not only markers for incomplete FA oxidation but also are indicators of altered carbohydrate and lipid metabolism. High serum concentrations of long-chain acylcarnitines in the postprandial or fed state are markers of insulin resistance and arise from insulins inability to inhibit CPT-1-dependent fatty acid metabolism in muscles and the heart (PMID: 19073774). Increased intracellular content of long-chain acylcarnitines is thought to serve as a feedback inhibition mechanism of insulin action (PMID: 23258903). In healthy subjects, increased concentrations of insulin effectively inhibits long-chain acylcarnitine production. Several studies have also found increased levels of circulating long-chain acylcarnitines in chronic heart failure patients (PMID: 26796394). 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].
21-Desacetyl Deflazacort
C23H29NO5 (399.20456240000004)
beta-Lumicolchicine
Candoxatrilat
C20H33NO7 (399.22569080000005)
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors
Dorsomorphin
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors Dorsomorphin (Compound C) is a selective and ATP-competitive AMPK inhibitor (Ki=109 nM in the absence of AMP). Dorsomorphin (BML-275) selectively inhibits BMP type I receptors ALK2, ALK3, and ALK6. Dorsomorphin can reverse autophagy activation and anti-inflammatory effect of Urolithin A (HY-100599)[1][2].
Lenapenem
C18H29N3O5S (399.18278240000006)
Mericitabine
C18H26FN3O6 (399.18055480000004)
Propyl 6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propylpyridine-3-carboxylate
Phenylalanyl-prolyl-arginine nitrile
Spiradine F
1-Methoxyallocryptopine
Myriocin-12-en
C21H37NO6 (399.26207420000003)
[Raw Data] CBA30_Myriocin-12-en_neg_40eV_1-4_01_1594.txt [Raw Data] CBA30_Myriocin-12-en_neg_30eV_1-4_01_1593.txt [Raw Data] CBA30_Myriocin-12-en_neg_20eV_1-4_01_1592.txt [Raw Data] CBA30_Myriocin-12-en_neg_10eV_1-4_01_1579.txt [Raw Data] CBA30_Myriocin-12-en_pos_50eV_1-4_01_1564.txt [Raw Data] CBA30_Myriocin-12-en_pos_40eV_1-4_01_1563.txt [Raw Data] CBA30_Myriocin-12-en_pos_30eV_1-4_01_1562.txt [Raw Data] CBA30_Myriocin-12-en_pos_20eV_1-4_01_1561.txt [Raw Data] CBA30_Myriocin-12-en_pos_10eV_1-4_01_1547.txt
(3Z)-3-[[1,6-dimethyl-2-[(1E,3E)-penta-1,3-dienyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(1-hydroxyethyl)pyrrolidine-2,4-dione
N-(4-methoxy-trans-cinnamoyl)-3-(3,4-dimethoxyphenyl)-L-alanine methyl ester
(+)-N-(methoxy-carbonyl)-N-norglaucine|(+)-N-(methoxycarbonyl)-N-norglaucine
(-)-protubonine B|11-epi-protubonine B|protubonine B
6-hydroxy-4-methoxyl-5-[(2E,6E)-(3,7,11-trimethyl-2,6,10-dodecatrien-1-yl)oxy]-2,3-dihydro-1H-isoindol-1-one|emeriphenolicin D
(13R)-2alpha,11alpha-dihydroxy-13-isobutyryloxyhetisane|trichodelphinine B
(10,11,14-trimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-9-yl)-methanol|Mecambridin|Mecambridin od. Oreophilin|Oreophilin
3-Deoxy-3-methylaminoxylose-beta-D-Furanose-form-Me glycoside, 2,5-dibenzyl, N-Ac|3-Deoxy-3-methylaminoxylose-Me glyoside, n-jAc, 2,5-dibenzyl
C23H29NO5 (399.20456240000004)
2-benzyl-3-phenyl-propionic acid-[2-(2-diethylamino-ethylsulfanyl)-ethyl ester]|2-Benzyl-3-phenyl-propionsaeure-[2-(2-diaethylamino-aethylmercapto)-aethylester]
C24H33NO2S (399.22318780000006)
(S)-2-((S)-3-(1H-Imidazol-4-yl)-2-((S)-pyrrolidine-2-carboxamido)Propanamido)-3-phenylPropanoic acid
Mepacrine
C23H30ClN3O (399.20772800000003)
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent [Raw Data] CB204_Mepacrine_neg_30eV_000037.txt D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors [Raw Data] CB204_Mepacrine_neg_20eV_000037.txt [Raw Data] CB204_Mepacrine_neg_10eV_000037.txt [Raw Data] CB204_Mepacrine_pos_50eV_isCID-10eV_rep000007.txt [Raw Data] CB204_Mepacrine_pos_40eV_isCID-10eV_rep000007.txt [Raw Data] CB204_Mepacrine_pos_30eV_isCID-10eV_rep000007.txt [Raw Data] CB204_Mepacrine_pos_20eV_isCID-10eV_rep000007.txt [Raw Data] CB204_Mepacrine_pos_10eV_isCID-10eV_rep000007.txt
thiethylperazine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Thiethylperazine, a phenothiazine derivate, is an orally active and potent dopamine D2-receptor and histamine H1-receptor antagonist. Thiethylperazine is also a selective ABCC1activator that reduces amyloid-β (Aβ) load in mice. Thiethylperazine has anti-emetic, antipsychotic and antimicrobial effects[1][2][3].
Colchicine
An alkaloid that is a carbotricyclic compound comprising 5,6,7,9-tetrahydrobenzo[a]heptalene having four methoxy substituents at the 1-, 2-, 3- and 10-positions as well as an oxo group at the 9-position and an acetamido group at the 7-position. It has been isolated from the plants belonging to genus Colchicum. Colchicine appears as odorless or nearly odorless pale yellow needles or powder that darkens on exposure to light. Used to treat gouty arthritis, pseudogout, sarcoidal arthritis and calcific tendinitis. (EPA, 1998) (S)-colchicine is a colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions. It has a role as a mutagen, an anti-inflammatory agent and a gout suppressant. It is a colchicine and an alkaloid. It is an enantiomer of a (R)-colchicine. Colchicine is an Alkaloid. Colchicine is a plant alkaloid that is widely used for treatment of gout. Colchicine has not been associated with acute liver injury or liver test abnormalities except with serious overdoses. Colchicine is a natural product found in Colchicum arenarium, Colchicum bivonae, and other organisms with data available. Colchicine is an alkaloid isolated from Colchicum autumnale with anti-gout and anti-inflammatory activities. The exact mechanism of action by which colchicines exerts its effect has not been completely established. Colchicine binds to tubulin, thereby interfering with the polymerization of tubulin, interrupting microtubule dynamics, and disrupting mitosis. This leads to an inhibition of migration of leukocytes and other inflammatory cells, thereby reducing the inflammatory response to deposited urate crystals. Colchicine may also interrupt the cycle of monosodium urate crystal deposition in joint tissues, thereby also preventing the resultant inflammatory response. Overall, colchicine decreases leukocyte chemotaxis/migration and phagocytosis to inflamed areas, and inhibits the formation and release of a chemotactic glycoprotein that is produced during phagocytosis of urate crystals. A major alkaloid from Colchicum autumnale L. and found also in other Colchicum species. Its primary therapeutic use is in the treatment of gout, but it has been used also in the therapy of familial Mediterranean fever (PERIODIC DISEASE). See also: Colchicine; probenecid (component of). A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions. M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AC - Preparations with no effect on uric acid metabolism COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials, Guide to PHARMACOLOGY C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents D018501 - Antirheumatic Agents > D006074 - Gout Suppressants Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2258 CONFIDENCE standard compound; INTERNAL_ID 1172 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.982 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.979 Colchicine is a tubulin inhibitor and a microtubule disrupting agent. Colchicine inhibits microtubule polymerization with an IC50 of 3 nM[1][2][3]. Colchicine is also a competitive antagonist of the α3 glycine receptors (GlyRs)[4]. Colchicine is a tubulin inhibitor and a microtubule disrupting agent. Colchicine inhibits microtubule polymerization with an IC50 of 3 nM[1][2][3]. Colchicine is also a competitive antagonist of the α3 glycine receptors (GlyRs)[4].
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
(3Z)-3-[[1,6-dimethyl-2-[(1E,3E)-penta-1,3-dienyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(1-hydroxyethyl)pyrrolidine-2,4-dione
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide [IIN-based: Match]
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide [IIN-based on: CCMSLIB00000845970]
Ala Gly Pro Arg
C16H29N7O5 (399.22300640000003)
Ala Gly Arg Pro
C16H29N7O5 (399.22300640000003)
Ala Asn Pro Val
Ala Asn Val Pro
Ala Pro Gly Arg
C16H29N7O5 (399.22300640000003)
Ala Pro Asn Val
Ala Pro Arg Gly
C16H29N7O5 (399.22300640000003)
Ala Pro Val Asn
Ala Arg Gly Pro
C16H29N7O5 (399.22300640000003)
Ala Arg Pro Gly
C16H29N7O5 (399.22300640000003)
Ala Val Asn Pro
Ala Val Pro Asn
Gly Ala Pro Arg
C16H29N7O5 (399.22300640000003)
Gly Ala Arg Pro
C16H29N7O5 (399.22300640000003)
Gly Ile Asn Pro
Gly Ile Pro Asn
Gly Lys Pro Val
Gly Lys Val Pro
Gly Leu Asn Pro
Gly Leu Pro Asn
Gly Asn Ile Pro
Gly Asn Leu Pro
Gly Asn Pro Ile
Gly Asn Pro Leu
Gly Pro Ala Arg
C16H29N7O5 (399.22300640000003)
Gly Pro Ile Asn
Gly Pro Lys Val
Gly Pro Leu Asn
Gly Pro Asn Ile
Gly Pro Asn Leu
Gly Pro Gln Val
Gly Pro Arg Ala
C16H29N7O5 (399.22300640000003)
Gly Pro Val Lys
Gly Pro Val Gln
Gly Gln Pro Val
Gly Gln Val Pro
Gly Arg Ala Pro
C16H29N7O5 (399.22300640000003)
Gly Arg Pro Ala
C16H29N7O5 (399.22300640000003)
Gly Val Lys Pro
Gly Val Pro Lys
Gly Val Pro Gln
Gly Val Gln Pro
Ile Gly Asn Pro
Ile Gly Pro Asn
Ile Asn Gly Pro
Ile Asn Pro Gly
Ile Pro Gly Asn
Ile Pro Asn Gly
Lys Gly Pro Val
Lys Gly Val Pro
Lys Pro Gly Val
Lys Pro Val Gly
Lys Val Gly Pro
Lys Val Pro Gly
Leu Gly Asn Pro
Leu Gly Pro Asn
Leu Asn Gly Pro
Leu Asn Pro Gly
Leu Pro Gly Asn
Leu Pro Asn Gly
Asn Ala Pro Val
Asn Ala Val Pro
Asn Gly Ile Pro
Asn Gly Leu Pro
Asn Gly Pro Ile
Asn Gly Pro Leu
Asn Ile Gly Pro
Asn Ile Pro Gly
Asn Leu Gly Pro
Asn Leu Pro Gly
Asn Pro Ala Val
Asn Pro Gly Ile
Asn Pro Gly Leu
Asn Pro Ile Gly
Asn Pro Leu Gly
Asn Pro Val Ala
Asn Val Ala Pro
Asn Val Pro Ala
Pro Ala Gly Arg
C16H29N7O5 (399.22300640000003)
Pro Ala Asn Val
Pro Ala Arg Gly
C16H29N7O5 (399.22300640000003)
Pro Ala Val Asn
Pro Gly Ala Arg
C16H29N7O5 (399.22300640000003)
Pro Gly Ile Asn
Pro Gly Lys Val
Pro Gly Leu Asn
Pro Gly Asn Ile
Pro Gly Asn Leu
Pro Gly Gln Val
Pro Gly Arg Ala
C16H29N7O5 (399.22300640000003)
Pro Gly Val Lys
Pro Gly Val Gln
Pro Ile Gly Asn
Pro Ile Asn Gly
Pro Lys Gly Val
Pro Lys Val Gly
Pro Leu Gly Asn
Pro Leu Asn Gly
Pro Asn Ala Val
Pro Asn Gly Ile
Pro Asn Gly Leu
Pro Asn Ile Gly
Pro Asn Leu Gly
Pro Asn Val Ala
Pro Gln Gly Val
Pro Gln Val Gly
Pro Arg Ala Gly
C16H29N7O5 (399.22300640000003)
Pro Arg Gly Ala
C16H29N7O5 (399.22300640000003)
Pro Val Ala Asn
Pro Val Gly Lys
Pro Val Gly Gln
Pro Val Lys Gly
Pro Val Asn Ala
Pro Val Gln Gly
Gln Gly Pro Val
Gln Gly Val Pro
Gln Pro Gly Val
Gln Pro Val Gly
Gln Val Gly Pro
Gln Val Pro Gly
Arg Ala Gly Pro
C16H29N7O5 (399.22300640000003)
Arg Ala Pro Gly
C16H29N7O5 (399.22300640000003)
Arg Gly Ala Pro
C16H29N7O5 (399.22300640000003)
Arg Gly Pro Ala
C16H29N7O5 (399.22300640000003)
Arg Pro Ala Gly
C16H29N7O5 (399.22300640000003)
Arg Pro Gly Ala
C16H29N7O5 (399.22300640000003)
Val Ala Asn Pro
Val Ala Pro Asn
Val Gly Lys Pro
Val Gly Pro Lys
Val Gly Pro Gln
Val Gly Gln Pro
Val Lys Gly Pro
Val Lys Pro Gly
Val Asn Ala Pro
Val Asn Pro Ala
Val Pro Ala Asn
Val Pro Gly Lys
Val Pro Gly Gln
Val Pro Lys Gly
Val Pro Asn Ala
Val Pro Gln Gly
Val Gln Gly Pro
Val Gln Pro Gly
Glaudine
JWH 210 N-(5-carboxypentyl) metabolite
C26H25NO3 (399.18343400000003)
CAR 14:2;O2
C21H37NO6 (399.26207420000003)
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3,4-dihydroisoquinoline
4-(3,5-BIS-TRIMETHYLSILANYL-BENZOYLAMINO)-BENZOIC ACID METHYL ESTER
benzyl 2-acetamido-4,6-o-benzylidene-2-deoxy-alpha-d-glucopyranoside
1-[(E)-(3-methoxyphenyl)methylideneamino]oxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
C22H29N3O4 (399.21579540000005)
(2R)-2-BOC-AMINO-3-PHENYLSULFONYL-1-(2-TETRAHYDROPYRANYLOXY)PROPANE
C19H29NO6S (399.17154940000006)
6-(Diethylamino)-1,3-dimethylfluoran
C26H25NO3 (399.18343400000003)
Urea, N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-N-phenyl-N-(3-pyridinylmethyl)- (9CI)
butyl 2-methylprop-2-enoate,2-(dimethylamino)ethyl 2-methylprop-2-enoate,methyl 2-methylprop-2-enoate
C21H37NO6 (399.26207420000003)
(S)-3-(3-METHOXYPHENYL)-4-PHENYLOXAZOLIDIN-2-ONE
C23H29NO5 (399.20456240000004)
(2R,4S,5R)-3-(tert-Butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyloxazolidine-5-carboxylic acid
(2S)-2-[[(4R,5R)-1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene]amino]-3-phenylpropan-1-ol
butyl prop-2-enoate,methyl 2-methylprop-2-enoate,2-methylprop-2-enamide,2-methylprop-2-enoic acid
C20H33NO7 (399.22569080000005)
(4S,5R)-3-tert-butoxycarbony-2-(4-anisy)-4-phenyl-5-oxazolidinecarboxylic acid
carboxymethylcellulose calcium (1.5 g) (as)
C23H30ClN3O (399.20772800000003)
1H-Benzimidazole,5-chloro-2-[1-[(1-cyclohexyl-1H-tetrazol-5-yl)methyl]-4-piperidinyl]-(9CI)
C20H26ClN7 (399.19381060000006)
sodium 2-[methyl(1-oxohexadecyl)amino]ethanesulphonate
C19H38NNaO4S (399.2419108000001)
4-HEXYL-4-[2-(4-ISOTHIOCYANATOPHENYL)ETHYL]-1,1-BIPHENYL
sodium hydrogen (R)-12-(sulphonatooxy)oleate
C18H32NaO6S (399.18171920000003)
(S)-4-(8-amino-3-(pyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide
1,1,2-Pentanetricarboxylic acid, 4-methyl-, 1,1-bis(phenylmethyl) ester (9CI)
(trans,trans)-4-Pentyl-[1,1-bicyclohexyl]-4-carboxylic acid 4-cyano-3-fluorophenyl ester
5-Methoxy-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
C21H31B2NO5 (399.23882160000005)
N-(2-Amino-ethyl)-2-(benzyl-phenyl-amino)-acetamide maleate
Coelenterazine hcp
(S)-1-[(R)-2-METHOXY-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHYL]-2-METHYL-4-(4-METHYL-PIPERIDIN-4-YL)-PIPERAZINE
Desvenlafaxine succinate
C20H33NO7 (399.22569080000005)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators
N-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide
COVID info from DrugBank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Mericitabine
C18H26FN3O6 (399.18055480000004)
C254 - Anti-Infective Agent > C281 - Antiviral Agent
3-[(1S,2S)-2-Hydroxycyclohexyl]-6-[(6-methyl-3-pyridinyl)methyl]benzo[h]quinazolin-4(3H)-one
MK-7622 (M1 receptor modulator) is a muscarinic M1 receptor positive allosteric modulator[1][2].
Urea, N-cyclopropyl-N-(3-((1,2-dihydro-2-oxo-6-quinolinyl)oxy)propyl)-N-((1R,2R)-2-hydroxycyclohexyl)-
C22H29N3O4 (399.21579540000005)
3-fluoro-4-[[(2R)-2-hydroxy-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)acetyl]amino]benzoic acid
C23H26FNO4 (399.18457680000006)
1-[1-(3-Aminophenyl)-3-Tert-Butyl-1h-Pyrazol-5-Yl]-3-Naphthalen-1-Ylurea
Bucindolol hydrochloride
C22H26ClN3O2 (399.17134460000005)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
Propyl 6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propylpyridine-3-carboxylate
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists MRS 1523 is a potent and selective adenosine A3 receptor antagonist with Ki values of 18.9 nM and 113 nM for human and rat A3 receptors, respectively. In rat this corresponds to selectivities of 140- and 18-fold vs A1 and A2A receptors, respectively. MRS 1523 can exert antihyperalgesic effect through N-type Ca channel block and action potential inhibition in isolated rat dorsal root ganglion (DRG) neurons[1][2].
(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
5,6-Diphenyl-N-(2-piperazin-1-ylethyl)furo[2,3-D]pyrimidin-4-amine
3-Fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-YL)-acetylamino]-benzoic acid
C23H26FNO4 (399.18457680000006)
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
[4-(3-Aminomethyl-phenyl)-piperidin-1-YL]-(5-phenethyl-pyridin-3-YL)-methanone
N-Cycloheptylglycyl-N-(4-Carbamimidoylbenzyl)-L-Prolinamide
C22H33N5O2 (399.26341180000003)
3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
N-[2-(1-Formyl-2-methyl-propyl)-1-(4-piperidin-1-YL-but-2-enoyl)-pyrrolidin-3-YL]-methanesulfonamide
C19H33N3O4S (399.2191658000001)
5-Hydroxy-4,4,6-tris(3-methylbut-2-en-1-yl)-2-(2-methylpropanoyl)-3-oxocyclohexa-1,5-dien-1-olate
C25H35O4- (399.25352100000003)
(2E,4E,6Z)-8-oxo-8-[(1S,2R,11R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-11-yl]oxyocta-2,4,6-trienoate
N-(2-amino-3-phenylpropanoyl)-1-[1-cyano-4-(diaminomethylideneamino)butyl]pyrrolidine-2-carboxamide
Protubonine B
An acetate ester obtained by the formal condensation of the hydroxy group of the fungal metabolite protubonine A with acetic acid. It has been isolated from Aspergillus species. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D054659 - Diketopiperazines
(4R,5S,6R,7R,9E,11Z)-13-amino-7-hydroxy-4,6-dimethyl-13-oxotrideca-9,11-dien-5-yl (2E)-3-phenylprop-2-enoate
N-(2-Methoxyethyl)-4-[(6-Pyridin-4-Ylquinazolin-2-Yl)amino]benzamide
N-(2-furanylmethyl)-2-[4-(phenylmethyl)-1-piperazinyl]-4-quinazolinamine
4-[2-(trifluoromethyl)phenyl]-5-undecyl-4H-1,2,4-triazole-3-thiol
C20H28F3N3S (399.19559240000007)
Aspernidine A
A member of the class of isoindoles that is isoindolin-1-one which is substituted at positions 4, 5 and 6 by hydroxy, triprenyloxy and methoxy groups, respectively. The alkaloid was isolated from the model fungus Aspegillus nidulans.
N-[2-(dipropylamino)ethyl]-5-ethyl-4-oxo-2-thieno[3,2-c]quinolinecarboxamide
C22H29N3O2S (399.19803740000003)
3-[[1-[1-(methylthio)propan-2-yl]-4-piperidinyl]oxy]-N-(2-pyridinylmethyl)benzamide
C22H29N3O2S (399.19803740000003)
1-Butyl-3-[2-(4-ethyl-1-piperazinyl)-4-methyl-6-quinolinyl]-1-methylthiourea
C22H33N5S (399.24565380000007)
3-(3-Chloro-4-methoxyphenyl)-1-(2-methoxyethyl)-1-(1-propan-2-yl-4-piperidinyl)thiourea
C19H30ClN3O2S (399.17471500000005)
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
N-[2,5-dimethoxy-4-[[2-(4-morpholinyl)-1-oxoethyl]amino]phenyl]benzamide
N-(3-chloro-4-methylphenyl)-2-[3-(5-methyl-2-tetrazolyl)-1-adamantyl]acetamide
C21H26ClN5O (399.18257760000006)
1-[4-(1H-indol-3-ylmethyl)-1-piperazinyl]-2-(2-naphthalenyloxy)ethanone
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
C18H29N3O5S (399.18278240000006)
(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C22H29N3O4 (399.21579540000005)
2-(dimethylamino)-N-ethyl-N-[[(2R,3S,4R)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]acetamide
1-[[(2S,3R,4R)-1-acetyl-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-3-propylurea
2-cyclohexyl-1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
C23H29NO5 (399.20456240000004)
(1S,10R)-10-Butyl-12-hydroxy-8-(methoxymethyl)-4-phenyl-11-oxa-2,4,6-triaza-12-boratricyclo[7.4.0.02,6]tridec-8-ene-3,5-dione
C20H26BN3O5 (399.19654160000005)
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
C18H29N3O5S (399.18278240000006)
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
C18H29N3O5S (399.18278240000006)
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
C18H29N3O5S (399.18278240000006)
(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C22H29N3O4 (399.21579540000005)
(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C22H29N3O4 (399.21579540000005)
N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C18H29N3O5S (399.18278240000006)
N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C18H29N3O5S (399.18278240000006)
N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C18H29N3O5S (399.18278240000006)
N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C18H29N3O5S (399.18278240000006)
(2S,3S,4R)-2-[[[(4-fluorophenyl)-oxomethyl]amino]methyl]-4-(hydroxymethyl)-3-phenyl-N-propyl-1-azetidinecarboxamide
2-(dimethylamino)-N-ethyl-N-[[(2S,3R,4S)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]acetamide
N-[[(2S,3S,4R)-1-acetyl-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-(dimethylamino)acetamide
N-[[(2R,3R,4S)-1-acetyl-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-(dimethylamino)acetamide
1-[[(2S,3S,4R)-1-acetyl-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-3-propylurea
1-[[(2R,3R,4S)-1-acetyl-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-3-propylurea
[(1S)-1-[(2,5-difluorophenyl)methyl]-7-methoxy-1-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol
C22H23F2N3O2 (399.17582419999997)
(2R,3S)-6-[cyclohexyl(oxo)methyl]-2-(hydroxymethyl)-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-1-carboxamide
[(2R,3R)-1-(4-oxanylmethyl)-3-phenyl-6-(2-thiazolylmethyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
C22H29N3O2S (399.19803740000003)
[(2S,3S)-1-(4-oxanylmethyl)-3-phenyl-6-(2-thiazolylmethyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
C22H29N3O2S (399.19803740000003)
(E,4S)-4-[[(2S)-2-[[(2S)-2-(diaminomethylideneazaniumyl)-3-hydroxypropanoyl]amino]-3-methylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoate
(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C22H29N3O4 (399.21579540000005)
N-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide
C18H29N3O5S (399.18278240000006)
N-[(2R,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide
C18H29N3O5S (399.18278240000006)
N-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide
C18H29N3O5S (399.18278240000006)
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
C18H29N3O5S (399.18278240000006)
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
C18H29N3O5S (399.18278240000006)
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
C18H29N3O5S (399.18278240000006)
N-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide
C18H29N3O5S (399.18278240000006)
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
C18H29N3O5S (399.18278240000006)
(2S,3R)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2R,3S)-8-(2-cyclohexylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2R,3S)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2S,3R)-8-(2-cyclohexylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C22H29N3O4 (399.21579540000005)
(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C22H29N3O4 (399.21579540000005)
(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C22H29N3O4 (399.21579540000005)
(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-(4-methoxyphenyl)-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
C22H29N3O4 (399.21579540000005)
N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C18H29N3O5S (399.18278240000006)
N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C18H29N3O5S (399.18278240000006)
N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C18H29N3O5S (399.18278240000006)
N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C18H29N3O5S (399.18278240000006)
N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C18H29N3O5S (399.18278240000006)
N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide
C18H29N3O5S (399.18278240000006)
(2S,3R,4R)-2-[[[(4-fluorophenyl)-oxomethyl]amino]methyl]-4-(hydroxymethyl)-3-phenyl-N-propyl-1-azetidinecarboxamide
N-[[(2S,3R,4R)-1-acetyl-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-(dimethylamino)acetamide
N-[[(2R,3S,4S)-1-acetyl-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-(dimethylamino)acetamide
1-[[(2R,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-3-cyclopentyl-1-methylurea
1-[[(2R,3S,4S)-1-acetyl-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-3-propylurea
1-[[(2S,3R,4S)-1-acetyl-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-3-propylurea
1-[(1S,5R)-7-[4-(3-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-2-pyridin-4-ylethanone
(2R,3R)-6-[cyclohexyl(oxo)methyl]-2-(hydroxymethyl)-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-1-carboxamide
(2S,3R)-6-[cyclohexyl(oxo)methyl]-2-(hydroxymethyl)-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-1-carboxamide
(2S,3S)-6-[cyclohexyl(oxo)methyl]-2-(hydroxymethyl)-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-1-carboxamide
[(2S,3R)-2-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)-1,6-diazaspiro[3.3]heptan-6-yl]-(2-pyridinyl)methanone
[(2S,3R)-1-(4-oxanylmethyl)-3-phenyl-6-(2-thiazolylmethyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
C22H29N3O2S (399.19803740000003)
(2S,3S,3aR,9bR)-1-(2-cyclopropylacetyl)-N-ethyl-3-(hydroxymethyl)-6-oxo-7-[(E)-prop-1-enyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C22H29N3O4 (399.21579540000005)
(2R,3R,3aS,9bS)-1-(2-cyclopropylacetyl)-N-ethyl-3-(hydroxymethyl)-6-oxo-7-[(E)-prop-1-enyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
C22H29N3O4 (399.21579540000005)
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
methyl (E)-2-[(3R,4R,6R,7S,8aR)-6-ethyl-4-methyl-2-oxospiro[1H-indole-3,1-3,5,6,7,8,8a-hexahydro-2H-indolizin-4-ium]-7-yl]-3-methoxyprop-2-enoate
(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[(3S)-5-[(1R)-1-hydroxy-3-(methylamino)propyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
C18H29N3O5S (399.18278240000006)
quinacrine
C23H30ClN3O (399.20772800000003)
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
dorsomorphin
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors Dorsomorphin (Compound C) is a selective and ATP-competitive AMPK inhibitor (Ki=109 nM in the absence of AMP). Dorsomorphin (BML-275) selectively inhibits BMP type I receptors ALK2, ALK3, and ALK6. Dorsomorphin can reverse autophagy activation and anti-inflammatory effect of Urolithin A (HY-100599)[1][2].
deacetoxyvindolinium(1+)
The conjugate acid of deacetoxyvindoline arising from protonation of the tertiary amino group; major species at pH 7.3.
colupulone(1-)
A beta-bitter acid(1-) that is the conjugate base of colupulone, obtained by deprotonation of one of the enolic hydroxy groups. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
(5Z)-13-carboxytridec-5-enoylcarnitine
C21H37NO6 (399.26207420000003)
An O-acylcarnitine having (5Z)-13-carboxytridec-5-enoyl as the acyl substituent.
YM-47522
A cinnamate ester obtained by the formal condensation of the carboxy group of trans-cinnamic acid with the 9-hydroxy group of 7,9-dihydroxy-8,10-dimethyltrideca-2,4-dienamide (the 4R,5S,6R,7R,9E,11Z stereoisomer). It is obtained from the fermentation broth of Bacillus sp.YL-03709B and exhibits antifungal activity.
(2z,4e,7s,8s,9r,10s)-7-hydroxy-8,10-dimethyl-9-{[(2e)-3-phenylprop-2-enoyl]oxy}trideca-2,4-dienimidic acid
methyl 18-hydroxy-11-(2-hydroxyethyl)-2,15-dimethyl-9-oxo-4-azapentacyclo[11.4.1.0⁴,¹⁶.0⁶,¹⁵.0¹⁰,¹⁴]octadeca-10(14),11,13(18)-triene-12-carboxylate
C23H29NO5 (399.20456240000004)
(1ar,2s,7bs)-7-{[(2r)-2-carboxy-2-[(1-hydroxyethylidene)amino]ethyl]sulfanyl}-2-[(1e,3e,5e)-5-methylhepta-1,3,5-trien-1-yl]-1h,1ah,2h,7bh-3λ⁵-cyclopropa[a]indolizin-3-ylium
(1r,2r,5s,7r,8r,13s,18s,21s)-12-methyl-4-methylidene-14,19-dioxa-17-azaheptacyclo[10.7.2.2²,⁵.0²,⁷.0⁸,¹⁸.0⁸,²¹.0¹³,¹⁷]tricosan-3-yl acetate
(5s)-3-[(1r,2s,4ar,6r,8ar)-1,6-dimethyl-2-[(1e,3e)-penta-1,3-dien-1-yl]-4a,5,6,7,8,8a-hexahydro-2h-naphthalene-1-carbonyl]-5-[(1s)-1-hydroxyethyl]-5h-pyrrole-2,4-diol
11-ethyl-16-hydroxy-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.0¹,¹⁴.0²,¹².0⁴,¹³.0⁵,¹⁰.0⁸,¹³]icosan-19-yl acetate
(2s,4s,5s,8r,10s,13r,14r,16s,17r,19r)-11-ethyl-16-hydroxy-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.0¹,¹⁴.0²,¹².0⁴,¹³.0⁵,¹⁰.0⁸,¹³]icosan-19-yl acetate
6-methoxy-5-[(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)oxy]-3h-isoindole-1,4-diol
(1r,2r,4s,5r,8s,10r,12s,13s,14r,16r,17r,19r)-11-ethyl-16-hydroxy-5-methyl-18-methylidene-9-oxa-11-azaheptacyclo[15.2.1.0¹,¹⁴.0²,¹².0⁴,¹³.0⁵,¹⁰.0⁸,¹³]icosan-19-yl acetate
6-methoxy-5-{[(2e,6e)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}-3h-isoindole-1,4-diol
(19s,21s)-9-methoxy-10,22-dimethyl-4,17-dioxa-2,14,22-triazaheptacyclo[11.10.0.0²,⁶.0³,²¹.0⁷,¹².0¹⁴,¹⁸.0¹⁹,²³]tricosa-7(12),9-diene-8,11-dione
4,6,6'-trihydroxy-2',5',5',8'a-tetramethyl-3',4',4'a,6',7',8'-hexahydro-2'h,3h-spiro[furo[2,3-e]isoindole-2,1'-naphthalen]-8-one
C23H29NO5 (399.20456240000004)