|
T11428
|
Glyco-Obeticholic acid
|
FXR |
Metabolism |
|
Glyco-obeticholic acid 是一种牛磺酸的特性代谢物。Obeticholic Acid 是口服具有活性的法尼样 X 受体激动剂。 |
|
T3424
|
Ezutromid
BMN 195,VOX-C1100,依珠曲米,SMT C1100
|
Others |
Others |
|
Ezutromid (BMN 195) 是一种具有口服活性的、首创的苯并恶唑 utrophin 调节剂，EC50=0.91 μM。它抑制人肝微粒体 CYP1A2 酶活性，IC50=5.4 μM。它可用于 Duchenne 型肌营养不良症 (DMD) 的研究。 |
|
T20366
|
beta-Nicotyrine
bata-碱二烯,Nicotyrine,alpha-Nicotyrine
|
Others |
Others |
|
beta-Nicotyrine 是一种 Nicotine 的代谢物。它是一种微量的烟草生物碱，提取自普通烟草植物的叶子和香烟烟雾冷凝物。 |
|
T1645
|
Ramipril
HOE-498,Tritace,雷米普利,Altace,Carasel
|
Apoptosis;
RAAS |
Apoptosis;
Endocrinology/Hormones |
|
Ramipril (Altace) 是一种ACE 抑制剂，IC50为5 nM。 |
|
T37683
|
3-Hydroxykynurenine
3-hydroxy-DL-Kynurenine,DL-3-Hydroxykynurenine
|
Others |
Others |
|
3-Hydroxykynurenine (3-hydroxy-DL-Kynurenine) 是色氨酸的活性代谢物，可抑制酵母和大鼠肝脏醛脱氢酶 97% 和 69%。 |
|
T0255
|
Clomipramine hydrochloride
Clomipramine HCl,Anafranil,盐酸氯米帕明
|
Dopamine Receptor;
5-HT Receptor;
Serotonin Transporter;
Norepinephrine;
GST |
GPCR/G Protein;
Neuroscience;
oxidation-reduction |
|
Clomipramine hydrochloride (Anafranil) 是一种5-羟色胺转运体(Ki:0.14 nM)、去甲肾上腺素转运体(Ki:54 nM)和多巴胺转运体(Ki:3 nM)阻断剂。 |
|
T0109
|
Molsidomine
Morsydomine,SIN-10,吗多明,Corvaton
|
NOD |
Immunology/Inflammation;
NF-κB |
|
Molsidomine (Corvaton) 是一种长效的、口服活性的血管扩张药，在肝脏中代谢可被为活性代谢物Linsidomine。 其中Linsidomine 是一种不稳定的化合物，能够产生NO，可用作血管舒张剂。 |
|
T0816
|
Acetohexamide
Acetohexamid,醋磺环已脲,Dymelor,醋磺己脲,Gamadiabet
|
Potassium Channel;
NADPH |
Membrane transporter/Ion channel;
Metabolism |
|
Acetohexamide (Acetohexamid) 是磺脲类试剂，可刺激胰腺分泌胰岛素，能够用于 2 型糖尿病的相关研究。 |
|
T37149
|
Carbamazepine 10,11-epoxide
|
Others |
Others |
|
Carbamazepine 10,11-epoxide 是抗惊厥药卡马西平 (carbamazepine) 的活性代谢物。它由卡马西平通过微粒体中的细胞色素 P450 (CYP) 同种型 CYP3A4 和 CYP2C8 形成，微粒体分别由表达 CYP3A4 或 CYP2C8 的 HepG2 细胞制备。它对小鼠电击诱发的癫痫发作具有抗惊厥活性。 |
|
T12280
|
O-Desmethyl Midostaurin
CGP62221,O-Desmethyl PKC412
|
Others |
Others |
|
O-Desmethyl Midostaurin is the active Midostaurin metabolite via cytochrome P450 liver enzyme metabolism. |
|
T36666
|
Dehydro Warfarin
|
Others |
Others |
|
Dehydro warfarin is a metabolite of (±)-warfarin .1It is formed from (±)-warfarin by rat liver microsomes.
1.Kaminsky, L.S., Fasco, M.J., and Guengerich, F.P.Comparison of different forms of liver, kidney, and lung microsomal cytochrome P-450 by immunological inhibition of regio- and stereoselective metabolism of warfarinJ. Biol. Chem.254(19)9657-9662(1979) |
|
T84946
|
Chenodeoxycholic Acid 3-Glucuronide
CDCA-3G
|
Others |
Others |
|
Chenodeoxycholic acid 3-glucuronide (CDCA-3G), a metabolite of Chenodeoxycholic acid (CDCA), is synthesized in human liver microsomes. |
|
T84997
|
Hydroxy Celecoxib
|
Others |
Others |
|
Hydroxy celecoxib, an inactive metabolite of celecoxib, is synthesized through the metabolism of celecoxib by cytochrome P450 (CYP) isoforms CYP2C9, CYP3A4, and CYP2D6 in human liver microsomes. |
|
T40397
|
3,4,6-Trichlorocatechol
|
Others |
Others |
|
3,4,6-Trichlorocatechol (TCC) is a metabolite generated by the post-mitochondrial liver fraction in Aroclor-1254 induced rats, resulting from exposure to industrial pollutants. |
|
T41015
|
Larsucosterol
DUR-928
|
Others |
Others |
|
Larsucosterol is a cholesterol metabolite from the nuclei of normal human liver tissues, epigenetically regulates the transcription of proteins and enzymes involved in lipid synthesis, inflammation, and apoptosis. |
|
T35543
|
Methyl Diethyldithiocarbamate
|
Others |
Others |
|
Methyl diethyldithiocarbamate is an active metabolite of the aldehyde dehydrogenase inhibitor disulfiram .1It is produced by methylation of the disulfiram metabolite diethyldithiocarbamate in mouse liver microsomes.2Methyl diethyldithiocarbamate inhibits liver low Kmaldehyde dehydrogenase (ALDH) in rats (ID50= 15.5 mg/kg).1It decreases mean arterial pressure (MAP) and increases heart rate during ethanol challenge in rats when administered at a dose of 20.6 mg/kg.
1.Hart, B.W., Yourick, J.J., and... |
|
T37430
|
Mirtazapine N-oxide
|
Others |
Others |
|
Mirtazapine N-oxide is a metabolite of mirtazapine.1It is formed from mirtazapine by the cytochrome P450 (CYP) isoforms CYP1A2 and CYP3A4 in human liver microsomes. |
|
T38556
|
Larsucosterol sodium
DUR-928 sodium
|
Others |
Others |
|
Larsucosterol sodium is a cholesterol metabolite from the nuclei of normal human liver tissues, epigenetically regulates the transcription of proteins and enzymes involved in lipid synthesis, inflammation, and apoptosis. |
|
T37307
|
Nordoxepin hydrochloride
|
Others |
Others |
|
Doxepin is a tricyclic antidepressant. Desmethyldoxepin is the primary metabolite of doxepin, produced by metabolism at the liver. The metabolism of tricyclic antidepressants, including doxepin, is affected by a variety of factors, including age, genetics, and drug-drug interactions. |
|
T35715
|
N-desmethyl Eletriptan
|
Others |
Others |
|
N-desmethyl Eletriptan is a metabolite of eletriptan .1It is formed from eletriptan primarily by the cytochrome P450 (CYP) isoform CYP3A4 in human liver microsomes.
1.Evans, D.C., O’Connor, D., Lake, B.G., et al.Eletriptan metabolism by human hepatic CYP450 enzymes and transport by human P-glycoproteinDrug Metab. Dispos.31(7)861-869(2003) |
|
T35641
|
trans-hydroxy Glimepiride
|
Others |
Others |
|
trans-hydroxy Glimepiride is an active metabolite of the sulfonylurea glimepiride .1It is formed from glimepiride primarily in the liver by the cytochrome P450 (CYP) isoform CYP2C9.
1.Langtry, H.D., and Balfour, J.A.Glimepiride. A review of its use in the management of type 2 diabetes mellitusDrugs55(4)563-584(1998) |
|
T36507
|
Tetrachlorohydroquinone
|
Others |
Others |
|
Tetrachlorohydroquinone (TCHQ) is a metabolite of the organochlorine biocide pentachlorophenol. It is cytotoxic to RTL-W1 rainbow trout liver cells (EC50 = 1.55 μM in a neutral red assay). TCHQ increases production of reactive oxygen species (ROS), inhibits apoptosis, and induces loss of the mitochondrial membrane potential and necrosis in splenocytes. In vivo, TCHQ induces glutathione (GSH) depletion in mouse liver. |
|
T36237
|
5-hydroxy Propranolol
|
Others |
Others |
|
5-hydroxy Propranolol is a metabolite of propranolol , a β-adrenergic receptor antagonist. Propranolol is primarily metabolized in the liver, with cytochrome P450 isoform 2D6 directing ring hydroxylation and the generation of 5-hydroxy propranolol and related metabolites. |
|
T84506
|
18-carboxy dinor Leukotriene B4
18-carboxy dinor LTB4
|
Others |
Others |
|
18-Carboxy dinor Leukotriene B4 (18-carboxy dinor LTB4) represents a β-oxidation metabolite of Leukotriene B4 (LTB4). Initially, LTB4 is metabolized in the liver to 20-carboxy LTB4, which subsequently undergoes β-oxidation to form 18-carboxy dinor LTB4. |
|
T73777
|
Coproporphyrin I
|
Others |
Others |
|
Coproporphyrin I 是存在于血液和尿中的内源代谢物，可用于研究肝病和卟啉症。 |
|
T19360
|
Hydroxy bosentan
Ro 48-5033
|
Others |
Others |
|
Hydroxy bosentan (Ro 48-5033) is a primary metabolite of Bosentan (BOS) metabolized by the cytochrome P450 system in the liver. Hydroxy bosentan assists BOS pharmacologically, retaining 10%-20% activities. |
|
T83421
|
1-Palmitoyl-sn-glycerol 3-phosphate
1-P-GPA
|
Others |
Others |
|
1-Palmitoyl-sn-glycerol 3-phosphate (1-P-GPA) 是内源性代谢物，常用于非酒精性脂肪性肝病的研究。 |
|
T35620
|
Ethoxyquin Dimer
|
Others |
Others |
|
Ethoxyquin dimer is an antioxidant and metabolite of ethoxyquin .1 It prevents oxidation of polyunsaturated fatty acids in fish meal and fish oil. Dietary administration of ethoxyquin dimer (0.1, 0.3, and 0.5% w/w) induces microvesicular steatosis and hepatocyte necrosis, as well as increases liver levels of oxidized glutathione and total lipids in mice.2 |
|
T35431
|
(±)-Clopidogrel (hydrochloride)
|
Others |
Others |
|
Clopidogrel is an antithrombic compound whose active metabolite is a selective, irreversible antagonist of the platelet purinergic P2Y12 receptor (IC50 = 100 nM). Clopidogrel inhibits ADP-induced platelet aggregation ex vivo and functions as a prodrug whereupon biotransformation to its active metabolite via CYP2C19 in the liver enables its anti-aggregating activity. Marketed under the name Plavix , clopidogrel in combination with aspirin has been shown to be beneficial in the prevention of vascu... |
|
T78547
|
2-Phenyl-2-(2-pyridyl)acetonitrile
α-Phenyl-2-pyridineacetonitrile
|
Drug Metabolite |
Metabolism |
|
2-Phenyl-2-(2-pyridyl)acetonitrile 是 SC 15396 在大鼠肝脏匀浆上清中的主要代谢产物，后者为一种胃分泌抑制剂，作用于抗胃泌素受体。 |
|
T68919
|
Nabumetone Alcohol
|
Others |
Others |
|
Nabumetone alcohol is the alcohol form of nabumetone, a non-steroidal anti-inflammatory drug (NSAID) that is rapidly metabolized in the liver to a major active metabolite, 6-methoxy-2-naphthyl acetic acid, which inhibits the cyclooxygenase enzyme and preferentially blocks COX-2 activity (which is indirectly responsible for the production of inflammation and pain during arthritis). |
|
T36112
|
Clopidogrel Carboxylic Acid (hydrochloride)
|
Others |
Others |
|
Clopidogrel is an antithrombic compound whose active metabolite is a selective, irreversible antagonist of the platelet purinergic P2Y12 receptor (IC50 = 100 nM). Clopidogrel inhibits ADP-induced platelet aggregation ex vivo and functions as a prodrug whereupon biotransformation to its active thiol metabolite via CYP2C19 in the liver enables its anti-aggregating activity. An estimated 15% of administered clopidogrel is metabolized by CYP2C19 to the thiol metabolite. Clopidogrel carboxylic acid i... |
|
T36415
|
N-Nitroso-N-methyl-4-Aminobutyric Acid
|
Others |
Others |
|
N-Nitroso-N-methyl-4-aminobutyric acid (NMBA) is a tobacco-specific nitrosamine carcinogen.1It is oxidized to the reactive metabolite methyl-2-oxopropylnitrosamine (MOPN) in isolated rat liver mitochondria.2NMBA induces bladder transitional cell carcinomas in rats when administered in the drinking water at a concentration of 300 mg/L per day.3 |
|
T37854
|
Cholic Acid 7-sulfate
|
Others |
Others |
|
Cholic acid 7-sulfate is a metabolite of the primary bile acid cholic acid.[1],[2] It is produced by conjugation of a sulfate group with the hydroxy group at position 7 of cholic acid in the liver and gut. Fecal levels of cholic acid 7-sulfate are increased in male, but not female, mice fed a diet supplemented with cholic acid or chenodeoxycholic acid.[2] |
|
T36920
|
16α-hydroxy Dehydroepiandrosterone
|
Others |
Others |
|
16α-hydroxy Dehydroepiandrosterone is a metabolite of the endogenous steroid hormone dehydroepiandrosterone .116α-hydroxy Dehydroepiandrosterone is formed from dehydroepiandrosteronevia16-hydroxylation by the cytochrome P450 (CYP) isoforms CYP3A4 and CYP3A5 in adult human liver microsomes, as well as by fetal recombinant CYP3A7. It is a precursor to fetal estrogens, including estriol .2
1.Miller, K.K.M., Cai, J., Ripp, S.L., et al.Stereo- and regioselectivity account for the diversity of dehydro... |
|
T37584
|
Tryptoquivaline D
|
Others |
Others |
|
Tryptoquivaline D is a fungal metabolite that has been found inNeosartorya siamensisand has anticancer activity.1,2It induces nuclear chromatin condensation, a marker of apoptosis, in HCT116 colon and HepG2 liver cancer cells when used at a concentration of 150 μM.1Tryptoquivaline D (1-100 μM), alone or in combination with doxorubicin , reduces the viability of A549 lung cancer cells.2 |
|
T84655
|
11β-Prostaglandin F2α Ethanolamide
11-epi PGF2α-EA
|
Others |
Others |
|
11β-Prostaglandin F2αethanolamide (11β-PGF2α-EA), posited as the hepatic metabolite derived from PGD2-EA during COX-2 metabolism of AEA—an endogenous cannabinoid present in brain, liver, and various mammalian tissues—is synthesized directly from AEA via COX-2 and specific prostaglandin synthase, leading to ethanolamide versions of classical prostaglandins. Additionally, PGD2-EA formation occurs in activated RAW 264.7 cells upon AEA treatment. |
|
T37005
|
Estriol 3-β-D-Glucuronide (sodium salt)
|
Others |
Others |
|
Estriol 3-β-D-glucuronide is a metabolite of estriol . It is formed from estriol by the UDP-glucuronosyltransferase (UGT) isoform UGT1A10. Estriol 3-β-D-glucuronide binds to basolateral and canalicular liver plasma membranes with Kd values of 85 and 164 μM, respectively. It competitively inhibits the hydrolysis of 4-methylumbelliferyl-β-D-glucuronide and is a substrate for hydrolysis by Klotho-human IgG1 Fc protein (KLFc). |
|
T37229
|
(±)8,9-DiHETE
|
Others |
Others |
|
(±)8,9-DiHETE is a major metabolite of the 20:5 ω-3 fatty acid eicosapentaenoic acid .[1] It is produced in rat liver microsomes, but not renal microsomes, by the generation of the unstable intermediate 8,9-epoxy eicosatetraenoic acid from EPA by cytochrome P450 monooxygenases. Dietary EPA supplementation in humans results in substantial urinary excretion of vicinal diols, including 8,9, 11,12, and 14,15 forms.[2] |
|
T73762
|
11,12-DiHETrE
|
Others |
Others |
|
11,12-DiHETrE，一种细胞色素P450 (P450) 类二十烷素内源性代谢产物，用于早产研究，并可作为区分NAFL(非酒精性脂肪肝)与NASH(非酒精性脂肪性肝炎)的生物标志物。 |
|
T36794
|
Dolutegravir O-β-D-Glucuronide
|
Others |
Others |
|
Dolutegravir O-β-D-glucuronide is a metabolite of the HIV integrase inhibitor dolutegravir .1It is formed from dolutegravir primarily by the UDP-glucuronosyltransferase (UGT) isoform UGT1A1in vivobut is also metabolized by UGT1A9 in human liver and kidney microsomes and UGT1A3 in human intestinal microsomes.2,1
1.Liu, S.N., Lu, J.B., Watson, C.J.W., et al.Mechanistic assessment of extrahepatic contributions to glucuronidation of integrase strand transfer inhibitorsDrug Metab. Dispos.47(5)535-544... |
|
T84541
|
Vinclozolin M2
M2
|
Others |
Others |
|
Vinclozolin M2, an active metabolite of vinclozolin, is generated through successive esterase activity and decarboxylation in C. elegans, as well as decarboxylation in human liver microsomes. It functions as an antagonist to the mineralocorticoid (IC50= 1,400 nM) and androgen receptors (IC50= 0.17 nM), demonstrated in reporter assays with MCF-7 cells. This compound is exclusively sold for research and analytical purposes, tailored for controlled laboratory use, and is not available in bulk sizes... |
|
T74147
|
Larsucosterol (trimethylamine)
|
Others |
Others |
|
Larsucosterol (DUR-928) trimethylamine，一种胆固醇代谢物，有效的肝 X 受体 (LXR) 拮抗剂，同时作为内源性脂肪生成的调节剂。该化合物通过下调 mRNA 水平和抑制 SREBP-1 的激活，有效抑制胆固醇的生物合成。 |
|
T36397
|
TAN 420E
|
Others |
Others |
|
TAN 420E is a bacterial metabolite originally isolated from Streptomyces. It scavenges 2,2-diphenyl-1-picrylhydrazyl radicals in a cell-free assay (IC50 = 1.3 μM) and reduces thiobarbituric acid reactive substances (TBARS) in rat liver microsomes by 72% when used at a concentration of 100 μg/ml. TAN 420E is active against B. brevis, B. cereus, M. flavus, and S. aureus (MICs = 50-100 μg/ml). It is cytotoxic to P388 and KB lymphocytic leukemia cells (EC50s = 0.022 and 0.3 μg/ml, respectively). |
|
T36681
|
Sorafenib N-oxide
|
Others |
Others |
|
Sorafenib N-oxide is an active metabolite of sorafenib , an inhibitor of Raf-1, B-RAF, and receptor tyrosine kinases. Sorafenib N-oxide inhibits FLT3 that contains the internal tandem duplication mutation (FLT3-ITD; Kd = 70 nM) and inhibits proliferation of MV4-11 acute myeloid leukemia (AML) cells expressing FLT3-ITD (IC50 = 25.8 nM). It is selective for AML cell lines containing FLT3-ITD over lines containing wild-type FLT3 (IC50s = 3.9-13.3 μM). Sorafenib N-oxide is also a linear-mixed inhibi... |
|
T83767
|
4-Hydroxyphenylglyoxylic Acid
UK 22486
|
Others |
Others |
|
4-Hydroxyphenylglyoxylic acid 是一种抑制剂，针对 carnitine palmitoyltransferase 1 (CPT1)，同时也是前药 oxfenicine 的活性代谢物。在 200 至 1,000 µM 的浓度范围内，该化合物能够抑制离体大鼠肝线粒体中的 CPT1，并能够抑制离体大鼠肝细胞中的油酸氧化。 |
|
T37330
|
Pyridindolol
|
Others |
Others |
|
Pyrindolol is a bacterial metabolite that has been found inS. alboverticillatus.1It inhibits neutral β-galactosidase by 50% under acidic, but not neutral, conditions when used at a concentration of 2 μg/ml. It is selective for β-galactosidase isolated from bovine liver over β-galactosidases isolated from human, bovine, pig, and rat tissues and sialidases isolated fromC. perfringens,Streptomyces, and the H3N2 strain of influenza virus (IC50s = >250 μg/ml for all).1,2
1.Aoyagi, T., Kumagai, M., Ha... |
|
T37484
|
1-Salicylate Glucuronide
|
Others |
Others |
|
1-Salicylate glucuronide is a metabolite of salicylic acid and aspirin .1It is formed from salicylic acid primarily by the UDP-glucuronosyltransferase (UGT) isoform UGT1A9 but also by a variety of other UGT isoforms and from aspirinviasalicylic acid as an intermediate.
1.Kuehl, G.E., Bigler, J., Potter, J.D., et al.Glucuronidation of the aspirin metabolite salicylic acid by expressed UDP-glucuronosyltransferases and human liver microsomesDrug Metab. Dispos.34(2)199-202(2006) |
|
T83858
|
Tauro-Obeticholic Acid sodium
Tauro-6-Ethylchenodeoxycholic Acid,Tauro-6-Ethyl-CDCA,Obeticholic Acid Taurine Conjugate,Tauro-OCA,T-ECDCA
|
Others |
Others |
|
陶氏奥贝胆酸是奥贝胆酸的活性代谢物，属于法尼索德X受体(FXR)激动剂并且是熊脱氧胆酸的半合成衍生物。陶氏奥贝胆酸通过在肝脏中与牛磺酸结合形成，但可以通过肠道微生物被再次转换回奥贝胆酸。 |
|
T75141
|
Aflatoxin Q1
|
Others |
Others |
|
Aflatoxin Q1是Aflatoxin B1 (AFB1)的羟基化代谢产物，后者由黄曲霉 (A. flavus) 产生的一种霉菌毒素。在人肝微粒体中，不论底物浓度高低，Aflatoxin B1的8,9-氧化物及Aflatoxin Q1均为其主要氧化产物。将Aflatoxin B1 3α-羟基化生成Aflatoxin Q1被视为一条重要的解毒途径。 |
沪公网安备 31010602006700号