Metabolismo

<p>CYP3A4-IN-2, a potent CYP3A4 inhibitor (IC50: 0.055 μM), is a hydrophobic ritonavir analog with immunosuppressive and antiviral properties.</p>

<p>FR-186054, a potent ACAT inhibitor with high oral efficacy, outperforms others in vitro regardless of dosage.</p>

<p>ICMT-IN-18 (compound 35) serves as an ICMT inhibitor with an IC50 value of 0.066 μM [1].</p>

<p>MT-3014: Strong, selective brain-penetrating PDE 10A inhibitor; IC50 0.062 nM (human), 0.09 nM (bovine).</p>

<p>ICMT-IN-16 (compound 33) functions as an inhibitor of ICMT, demonstrating inhibitory concentration 50% (IC50) efficacy at 0.131 μM [1].</p>

<p>DNCA, a neutral lipid, facilitates the creation of lipid nanoparticles (LNPs) and is instrumental in [nucleic acid delivery](1).</p>

<p>A 78773: potent reversible 5-lipoxygenase inhibitor; active in cells/tissues; targets inflammation, asthma, IBD.</p>

<p>ICMT-IN-31 (compound 68) serves as an ICMT inhibitor, demonstrating significant potency with an IC50 value of 0.0038 μM [1].</p>

<p>Arachidonoyl amide (AMC-AA) is a fatty acid amide among several that serve to quantify fatty acid amide hydrolase (FAAH) activity. FAAH, with its relative lack of selectivity, processes various amide head groups beyond ethanolamine, the head group of its primary endogenous substrate, anandamide (AEA). The interaction of AMC-AA with FAAH leads to the liberation of fluorescent aminomethyl coumarin, which has an absorption peak at 360 nm and emission at 465 nm. This fluorescence release facilitates the rapid and efficient assessment of FAAH activity through the utilization of either a standard cuvette or a microplate fluorometer.</p>

<p>ICMT-IN-10 (compound 32) serves as an inhibitor for ICMT, exhibiting potent activity with an IC50 value of 0.184 μM [1].</p>

<p>1-Palmitoyl-2-oleoyl-3-stearoyl-rac-glycerol, a primary triacylglycerol in cocoa butter, features palmitic acid (at the sn-1 position), oleic acid (at the sn-2 position), and stearic acid (at the sn-3 position).</p>

<p>Branched fatty acid esters of hydroxy fatty acids (FAHFAs) are endogenous lipids that are influenced by fasting and high-fat diets and linked to improved insulin sensitivity in mice. These compounds typically feature a chain of either 16 or 18 carbon atoms (for example, palmitoleic, palmitic, oleic, or stearic acid) esterified with a hydroxy fatty acid chain of similar length. One specific FAHFA, known as 5-OAHSA, consists of oleic acid bonded to the fifth carbon of hydroxy stearic acid. Within the FAHFA family, OAHSAs exhibit the highest serum levels in AG4OX mice, which are known for their glucose tolerance attributed to the overexpression of the Glut4 glucose transporter in adipose tissue.</p>

<p>ICMT-IN-23 (compound 36) serves as an inhibitor of ICMT, exhibiting a half-maximal inhibitory concentration (IC50) of 0.123 μM [1].</p>

<p>ICMT-IN-2 (compound 45) serves as an ICMT inhibitor with an IC50 value of 0.168 μM [1].</p>

<p>Amb123203 is an inhibitor of the budding of mVP40 and eVP40 VLPs that acts by blocking mVP40-795 Nedd4 protein-protein interaction.</p>

<p>12,15-Epoxy-13-methyl-12,14-eicosadienoic acid, a furan fatty acid first identified in northern pike (E. lucius), exhibits elevated levels in the liver of starving cod.</p>

<p>LY-338979 is an impurity of pemetrexedone.</p>

<p>11β-13,14-Dihydro-15-keto PGF2α, a PGD2 metabolite in the 15-hydroxy PGDH pathway, is formed in human males upon infusion or inhalation of tritiated PGD2, with peak plasma levels of both 11β-PGF2α and 11β-13,14-dihydro-15-keto PGF2α observed within 10 minutes. In human lung homogenates, PGD2 is metabolized firstly to 11β-PGF2α and subsequently to 11β-15-keto-PGF2α in the presence of NAD+, but not to 11β-13,14-dihydro-15-keto PGF2α. Conversely, guinea pig liver and kidney homogenates can metabolize PGD2 to 11β-13,14-dihydro-15-keto PGF2α via 11β-PGF2α, with both NAD+ and NADP+ being requisite for this conversion.</p>

<p>Efipladib is a phospholipase inhibitor. Efipladib decreases nociceptive responses without affecting PGE2 levels in the cerebral spinal fluid.</p>

<p>SHP2-IN-18 (compound 183) is a potent SHP2 inhibitor, exhibiting an IC50 of 3 nM and applicable to glioblastoma research [1].</p>

<p>YG1702, a potent inhibitor specific to ALDH18A1, suppresses the proliferation of MYCN-amplified neuroblastoma (NB) and reduces MYCN expression.</p>

<p>EMT inhibitor-2 blocks CYP3A4 and CYP2C9 (IC50: 49.72, 5.54 μM) and prevents IL-1β/TGF-β-induced EMT.</p>

<p>cis-ent-Tadalafil (cis-ent-IC-351) is a potent and selective PDE5 inhibitor that lowers blood pressure.</p>

<p>ICMT-IN-52 (compound 44) serves as an ICMT inhibitor with an IC50 value of 0.052 μM [1].</p>

<p>(Rac)-Lonafarnib is a racemic FTase inhibitor, effective against H-ras, K-ras, N-ras (IC50: 1.9, 5.2, 2.8 nM), and has anti-HDV properties.</p>

<p>IDH1 Inhibitor 5 targets MOG cells (IC50: 64.4 nM) and R132H mutant IDH1 gliomas (IC50: 34.9 nM).</p>

<p>Branched fatty acid esters of hydroxy fatty acids (FAHFAs) are lipids recently discovered to be modulated by dietary influences such as fasting and high-fat feeding, and they play a role in enhancing insulin sensitivity. These compounds typically feature a carbon-16 or carbon-18 fatty acid (e.g., palmitoleic, palmitic, oleic, or stearic acid) esterified to a carbon-16 or carbon-18 hydroxy fatty acid. A specific example is 12-SAHSA, which consists of stearic acid linked to 12-hydroxy stearic acid. Notably, 12-SAHSA levels are found to be moderately increased in the serum of glucose tolerant AG4OX mice, a model characterized by adipose tissue-specific overexpression of the Glut4 glucose transporter.</p>

<p>"Oral FXR antagonist 1 selectively blocks intestinal FXR, with IC50 of 2.1 μM, aiding in NASH research by improving liver health."</p>

<p>GSK2256294A (GSK 2256294) is potent, selective inhibitor of recombinant human, rat and mouse sEH with IC50 of 27 pM, 61 pM and 189 pM, respectively.</p>

<p>Cis-13-Octadecenoic acid, a monounsaturated fatty acid, is identified in bovine milk fat.</p>

<p>(S)-(-)-Bay-K-8644 ((S)-(-)-Bay K 8644) is an agonist of L-type Ca2+ channel and activates Ba2+ currents with an EC50 of 32 nM.</p>

<p>MR-2-93-3, a long-chain fatty acid, functions as a carrier for polynucleotides [1].</p>

<p>ATX inhibitor 21 is a potent inhibitor of ATX (IC50: 3490 nM).</p>

<p>CMI-392 is a dual 5-lipoxygenase inhibitor and platelet-activating factor (PAF) receptor antagonist (IC50s: 100 and 10 nM).</p>

<p>L 670630 is a potent and orally active 5-lipoxygenase inhibitor.</p>

<p>KD-026 (SLx 4090), a microsomal triglyceride transfer protein (MTP) inhibitor(IC50 = 8.0 nM), is used in type 2 diabetes studies.</p>

<p>GSK356278: selective PDE4A/B/D inhibitor, pIC50~8.7, anti-inflammatory, anxiolytic, cognition-enhancing.</p>

<p>AZD1092 is the glucokinase enzyme activator.</p>

<p>2-Myristyldistearin (SMS), a triacylglycerol comprising myristic acid and stearic acid [1], showcases its intricate structural composition.</p>

<p>KCL-286 is an available and potent retinoic acid receptor beta agonist for the amelioration of spinal cord injury (SCI).</p>

<p>Compound 22g: potent GLO1 inhibitor; IC50=0.011 μM; potential for depression, anxiety research.</p>

<p>α-Glucosidase-IN-11 is a highly permeable competitive inhibitor of α-glucosidase (IC50: 0.56 μM).</p>

<p>sEH/AChE-IN-3 -15: potent dual sEH &amp; AChE inhibitor; crosses BBB; IC50: hsEH 0.4nM, hAChE 1.94nM, hBChE 615nM, msEH 4.3nM, mAChE 2.61nM.</p>

<p>VT-1598 tosylate is a selective, orally active antifungal compound that targets CYP51. It demonstrates efficacy against C. auris.</p>

<p>M5N36: selective Cdc25C inhibitor, IC50: 0.15µM A, 0.19µM B, 0.06µM C; halts cell growth, boosts p-CDK1/2.</p>

<p>GSK321 is an IDH1 inhibitor that prevents cytoplasmic glutamine reductive carboxylation.GSK321 is used in the study of leukemia.</p>

<p>CJ-463, a selective uPA blocker, shows strong anti-tumor effect, especially at 100mg/kg, potentially treating lung cancer.</p>

<p>1a,1b-Dihomo Prostaglandin F2α (1a,1b-dihomo PGF2α), a hypothetical product of adrenic acid in the COX pathway, is predominantly synthesized in the renal medulla, reflecting the selective distribution of adrenic acid in this region.</p>

<p>Branched fatty acid esters of hydroxy fatty acids (FAHFAs) are a class of endogenous lipids whose levels are modulated by fasting and high-fat diets and are linked to insulin sensitivity. These compounds typically consist of a C-16 or C-18 fatty acid, such as palmitoleic, palmitic, oleic, or stearic acid, esterified to a hydroxylated C-16 or C-18 lipid. One specific form of FAHFA, known as 9-OAHSA, involves the esterification of oleic acid to 9-hydroxy stearic acid. Within the FAHFA family, OAHSAs notably represent the predominant form found in the serum of glucose-tolerant AG4OX mice, which uniquely overexpress the Glut4 glucose transporter in adipose tissue.</p>

<p>Dendrogenin A (DDA) is a compound acting as a selective liver X receptor (LXR) modulator, cholesterol epoxide hydrolase inhibitor (Ki = 120 nM), and a metabolic</p>

<p>Arbaprostil, a synthetic PGE analog, guards stomach lining, aids ulcer healing, and blocks pancreatic function and tumor growth.</p>

<p>Difamilast is a selective inhibitor of phosphodiesterase-4 (PDE4) with particularly efficient inhibition of subtype B (IC50=11.2 nM).</p>

<p>DGAT1-IN-1 is a potent inhibitor of diacylglycerol O- acyltransferase type 1(DGAT1, IC50 of &lt; 10 nM).</p>

<p>II-B08 is a cell-permeable SHP2 inhibitor (IC50 = 5.5 µM). II-B08 blocks growth factor stimulated ERK1/2 activation and hematopoietic progenitor proliferation.</p>

<p>Mutant IDH1-IN-4 is an mutant Isocitrate dehydrogenase 1 (IDH 1) inhibitor.</p>

<p>N-Desethyl Brinzolamide oxalate functions as a dual inhibitor targeting Carbonic anhydrase II and Carbonic anhydrase IV, exhibiting inhibitory concentrations (IC50) of 1.28 nM and 128 nM, respectively [1].</p>

<p>S-Benzylglutathione acts as a competitive inhibitor of glutathionase and undergoes conversion by rat kidney microsomes into its cysteine derivatives.</p>

<p>ICMT-IN-22 (compound 62) acts as an ICMT inhibitor with an IC50 value of 0.63 μM [1].</p>

<p>Prostaglandin F2α-1-glyceryl ester undergoes oxidation via 15-hydroxyprostaglandin dehydrogenase (15-HPGDH) [1].</p>

<p>1-Linoleoyl-3-α-linolenoyl-rac-glycerol, a diacylglycerol, features linoleic acid at the sn-1 position and α-linolenic acid at the sn-3 position. This compound is identified in olive oil that has undergone lipase-catalyzed glycerolysis, utilizing immobilized lipase B derived from C. antarctica.</p>

<p>ICMT-IN-50 (compound 3) serves as an inhibitor of ICMT with an IC50 value of 0.31 µM [1].</p>

<p>FXIa-IN-1 is a potent β-lactam covalent heparin-derived factor XIa (fXIa) inhibitor.</p>

<p>2-Stearoyl-sn-glycero-3-phosphatidylcholine (2-Stearoyl-sn-glycero-3-PC) is a lysophospholipid characterized by the presence of stearic acid at the sn-2 position. This compound has been identified in the myocardium of rabbits.</p>

<p>BMS-654457 is a small-molecule, reversible inhibitor of factor XIa (FXIa; Kis: 0.2 and 0.42 nM for human and rabbit FXIa).</p>

<p>3-Oxo Atorvastatin is an impurity of Atorvastatin. Atorvastatin is an HMG-CoA reductase inhibitor and has the ability to effectively decrease blood lipids.</p>

<p>WT IDH1 Inhibitor 2 blocks wild-type and R132H mutant IDH1 (IC50: 120 nM); related to GSK321.</p>

<p>DORI, a cationic lipid, efficiently delivers plasmid DNA in vitro, exhibiting lower cytotoxicity and high transfection efficiency [1].</p>

<p>DOG-IM4 is a chemical compound instrumental in synthesizing nanoparticles for delivering antigen-encoding nucleic acids, targeting a broad range of conditions including autoimmune diseases, rare blood or metabolic disorders, allergies, cancer, and infectious diseases [1].</p>

<p>AR453588 hydrochloride is an orally bioavailable anti-diabetic glucokinase activator (EC50: 42 nM) with anti-hyperglycemic activity.</p>

<p>(R)-Avanafil ((R)-TA1790) is a selective phosphodiesterase type 5 (PDE5) inhibitor with an IC50 of 5.2 nM, utilized for the research of erectile dysfunction [1</p>

<p>"(±)-2'-Hydroxy Ceramide (d18:0/18:0) is a sphingomyelin derivative isolated from mammalian platelets upon ADP stimulation [1]."</p>

<p>N-Palmitoyl taurine, an amino-acyl endocannabinoid prominent in rat brain lipidomics profiling, accompanies multiple arachidonoyl amino acids isolated from bovine brain, including N-arachidonoylethanolamine (NADA) and N-arachidonoyl serine (ARA-S). Mass spectral lipidomic analysis of rat brain additionally revealed a series of fatty acyl amides with taurine. The function of N-Palmitoyl taurine is under investigation.</p>

<p>ICMT-IN-37 (compound 41) serves as an inhibitor of ICMT with an IC50 value of 0.308 μM [1].</p>

<p>JTT 551: Selective PTP1B inhibitor for type 2 diabetes research; Ki=0.22μM for PTP1B, 9.3μM for TCPTP.</p>

<p>3-Oxo-5β-cholanoic acid (Dehydrolithocholic acid) (Dehydrolithocholic acid) is a bile acid metabolite and inhibits the differentiation of TH17 cells by directly</p>

<p>YM17E is an inhibitor of ACAT with IC50 of 44 nM in rabbit liver microsomes in vitro.</p>

<p>PDE12-IN-3 is an inhibitor of phosphodiesterase 12 (PDE12) (pXC50 of 7.68),with antiviral activity.</p>

<p>CAY10435, a β-ketooxazapyridine and selective FAAH inhibitor, exhibits antimicrobial properties. It binds non-competitively to the FAAH of Dictyostelium discoideum, demonstrating a Kd value of 0.57 nM [1] [2].</p>

<p>Sch59498 is a potent phosphodiesterase 1c (Pde1c) inhibitor.</p>

<p>Clocortolone pivalate, a synthetic steroid, treats dermatitis and psoriasis.</p>

<p>1,2-Dilauroyl-sn-glycero-3-phospho-(2R)-glycerol is a type of phosphoglycerol characterized by the presence of lauric acid at the sn-1 and sn-2 positions. [Matreya, LLC. Catalog No. 1443]</p>

<p>4′-DTMP (4-Demethyltrimethoprim) is a DHFR inhibitor with antimicrobial activity against Escherichia coli.</p>

<p>(+/-)12-HpETE, a vasodilator, is a 12-hydroxyicosatetraenoic acid produced by lipoxygenase [1].</p>

<p>ICMT-IN-15 (compound 51) serves as an ICMT inhibitor with an IC50 value of 0.032 μM [1].</p>

<p>Potent CETP inhibitor, boosts HDL-C levels, orally active; IC50=4nM.</p>

<p>ICMT-IN-14 (compound 50) serves as an inhibitor of isoprenylcysteine carboxyl methyltransferase (ICMT), exhibiting potent activity with an IC50 of 0.025 μM [1].</p>

<p>VU0364739, a selective phospholipase D2 (PLD2) inhibitor with an IC50 of 22 nM, effectively reduces cancer cell proliferation [1].</p>

<p>BMS-986172 is an orally active, highly selective inhibitor of MGAT2, demonstrating inhibitory concentrations (IC50) of 4.6 nM for human MGAT2 (hMGAT2) and 20 nM</p>

<p>1-Isopropyltryptophan (1-IsoPT), an IDO1 inhibitor, suppresses the expression of IDO-1 and IDO-2 mRNA induced by IFN-γ stimulation [1].</p>

<p>PHD-IN-1 (compound 80) serves as a potent PHD2 inhibitor, exhibiting an IC50 value of ≤5 nM.</p>

<p>IDO1/TDO-IN-6 (compound 11) is a dual inhibitor targeting IDO1 and TDO, exhibiting IC50 values of 2.25 μM for IDO1 and 2.89 μM for TDO.</p>

<p>Hemipyocyanine (528-71-2) is the virulence factor of Gram-negative, aerobic rod bacterium Pseudomonas aeruginosa. Hemipyocyanine is an α-Amylase inhibitor.</p>

<p>1,3-Dipalmitoyl glycero-2-phosphatidylethanolamine is a phospholipid incorporating saturated long-chain (16:0) stearic acid at the sn-1 and sn-3 positions, with phosphatidylethanolamine (PE) at the sn-2 position. Phosphatidylethanolamines, critical components of biological membranes, play essential structural and functional roles. Various PE types are instrumental in forming micelles, liposomes, and other synthetic membranes.</p>

<p>1,2-Dipropionyl-sn-glycero-3-phosphocholine (PC) is a phospholipid characterized by the presence of propionic acid at its sn-1 and sn-2 positions. This compound has applications in the investigation of interactions between water and the phosphocholine headgroup in aqueous solutions.</p>

<p>H-0104 Dihydrochloride is an inhibitor of ROCK that acts by applying potent intraocular pressure (IOP)-lowering effects into the eyes of monkeys.</p>

<p>BBT has anti-hyperglycemic activity, protecting beta cells from cytokine or streptozotocin-induced cell death, and restoring beta cell function.</p>

<p>TMDJ-035 is a selective inhibitor of the RyR2 (ryanodine receptor 2).</p>

<p>PPAR agonist 1 is an agonist of PPAR α/γ, used for reducing blood glucose, lipid levels, reducing body weight, and lowering cholesterol.</p>

<p>Leukotriene C4 (14,15-LTC4) is an inflammatory mediator synthesized from arachidonic acid through the actions of 15- and 12-lipoxygenases (LOs), involving intermediates such as 15-HpETE and 14,15-LTA4. Unlike the majority of leukotrienes formed via the 5-LO pathway, 14,15-LTC4 is an eoxin predominantly produced by eosinophils, although mast cells and nasal polyps can also synthesize it. While its physiological roles are not well understood, 14,15-LTC4 exhibits limited contractile activity on guinea pig ileum and pulmonary parenchyma. However, it can increase vascular permeability in human endothelial cell monolayers in vitro with potency comparable to 5-LO-derived leukotrienes, contributing to plasma leakage characteristic of inflammation.</p>

<p>Cyclophellitol aziridine, an analogue of cyclophenol, serves as a potent inhibitor of β-glucosidase [1].</p>