Metabolism

<p>ICMT-IN-42 (compound 21) serves as an ICMT inhibitor, demonstrating potency with an IC50 of 0.054 μM [1].</p>

<p>Entacapone acid (AG 1290) is a selective and reversible inhibitor of catechol-O-methyltransferase(COMT).</p>

<p>Gentisuric acid, an Aspirin metabolite and a substrate of α-amidating monooxygenase (PAM), mitigates DNA damage induced by Mitomycin C. [1] [2]</p>

<p>(R)-tert-OMe-byakangelicin, a furanocoumarin, exhibits inhibitory effects on liver drug metabolizing enzyme (DME) activity and can be isolated from the immature</p>

<p>α-Glucosidase-IN-29 (compound 19) is an inhibitor of α-glucosidases, exhibiting an IC50 value of 1.21 μM and a Ki of 1.80 μM.</p>

<p>5J-4 is a potent a blocker of calcium release-activated calcium (CRAC) channel and store-operated calcium entry (SOCE).</p>

<p>PF-04957325 is an inhibitor of PDE8.PF-04957325 has an IC50 of 0.7 nM for PDE8A.PF-04957325 can be used for the study of autoimmune encephalomyelitis.</p>

<p>MS-444 (BE-34776) is an MLCK and HuR inhibitor with antitumor activity that can be used to study triple-negative breast cancer and colorectal cancer.</p>

<p>GGTI-2133: potent GGTase I inhibitor, IC50=38 nM; blocks inflammatory cell invasion in mice asthma.</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>Inz-1 is an effective and fungal-selective inhibitor of mitochondrial cytochrome bc1 with IC50s of 8.092 and 45.320 μM for yeast and human.</p>

<p>Edaglitazone (R-483) is a PPARγ agonist with antiplatelet activity that can be used in studies of diabetes and obesity.</p>

<p>Temocaprilat (RS5139) is an Angiotensin-converting Enzyme (ACE) inhibitor.</p>

<p>LMPTP INHIBITOR 1 hydrochloride is a selective inhibitor of low molecular weight protein tyrosine phosphatase ( LMPTP ), with an IC 50 of 0.8 μM for LMPTP-A.</p>

<p>Iganidipine（NKY 722） is a new water-soluble Ca2+ antagonist with antihypertensive activity for research and neurological related diseases.</p>

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

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

<p>MK-8189 is a potent and selective pyrimidine PDE10A inhibitor, with excellent PDE (phosphodiesterase) selectivity for the treatment of schizophrenia.</p>

<p>Quetiapine sulfoxide dihydrochloride, a major metabolite of second-gen antipsychotic Quetiapine, modulates 5-HT and dopamine receptors.</p>

<p>FAS-IN-1 Tosylate is an effective fatty acid synthase inhibitor;Has an IC50 of 10 nM.</p>

<p>Autotaxin-IN-4 is an Autotaxin inhibitor. It has the potential to treat idiopathic pulmonary fibrosis.</p>

<p>(R)-Azasetron besylate (SENS-401), an orally active calcineurin inhibitor, has been shown to mitigate cisplatin-induced hearing loss and cochlear damage [1][2].</p>

<p>Leramistat is a mitochondrial complex I (NIC1) inhibitor that alters cellular metabolism and reduces proliferation in human primary lung fibroblasts.</p>

<p>hMAO-B-IN-32 is a potent hMAO-B selective inhibitor with an IC50 of 45.52 μM.</p>

<p>CRX000227 is a PPAR modulator suitable for researching metabolic and cell proliferative disorders [1].</p>

<p>2-Phenyl-2-(2-pyridyl)acetonitrile represents the principal metabolite of the antigastric agent SC 15396, produced by the supernatant fraction of rat liver</p>

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

<p>PDE5-IN-2 is a potent, highly selective, and orally active inhibitor of PDE5(IC50 of 0.31 nM)</p>

<p>5-Lipoxygenase-In-1 (compound example 4.10) is a 5-Lipoxygenase inhibitor.</p>

<p>TMP780 is an inverse RORγt agonist (IC50: 13 nM). RORγt is a tractable drug target for the treatment of cutaneous inflammatory disorders.</p>

<p>GNE-618 is a potent and orally active inhibitor of nicotinamide phosphoribosyltransferase (IC50: 6 nM).</p>

<p>TID43, a CK2 inhibitor, exhibits potent inhibition with an IC50 value of 0.3 μM. It is applicable in anti-angiogenic research [1].</p>

<p>Sulforhodamine 101 DHPE, a fluorescent probe, results from the conjugation of sulforhodamine 101, a red fluorescent dye with excitation/emission spectra of 586/605 nm, to the phospholipid 1,2-dipalmitoyl-sn-glycero-3-PE. It effectively integrates into phospholipid bilayers and is utilized for imaging solid supported lipid bilayers, detecting protein-ligand interactions on bilayers, and monitoring lipid probe colocalization in liposomes through resonance energy transfer (RET).</p>

<p>CP-113818 is a potent inhibitor of cholesterol acyltransferase (ACAT) and can be used to study Alzheimer's disease.</p>

<p>5α-Androst-16-en-3-one, a mammalian pheromone present in boar saliva, plays a crucial role in facilitating social and sexual interactions by acting as a volatile chemical cue. It is utilized to prime sows in estrus for mating or artificial insemination, underscoring its significance in reproductive behavior. Additionally, this compound is detected in human sweat and urine, where it is involved in studies concerning receptor-mediated odorant detection and the genetic foundations of anosmias, thereby broadening its scope of relevance beyond the animal kingdom.</p>

<p>5,6-dehydro Arachidonic acid, an arachidonic acid analog with a 5,6 acetylene, inhibits 5-LO; Ki=15 μM in RBL cells, IC50=10 μM in guinea pig leukocytes.</p>

<p>GPX4-IN-2 is a potent inhibitor of GPX4, exhibiting antiproliferative activity. It holds potential for cancer research applications.</p>

<p>ACT-606559, a metabolite of ACT451840, is a novel chemical compound exhibiting antimalarial properties. It is utilized in malaria research.</p>

<p>HIF-2α-IN-6 (117) is a HIF-2α inhibitor [1].</p>

<p>Hypusine is an N-terminal amino alcohol derivative of Lys occurring in bovine brain &amp;</p>

<p>RORγt modulator 4 is a RORγt modulator that regulates IL-17A production activity in cells derived from mouse spleen.</p>

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

<p>PTP1B-IN-20: Selective PTP1B inhibitor, IC50=1.05μM; less effective on TCPTP (IC50=78μM), targets type 2 diabetes.</p>

<p>Branched fatty acid esters of hydroxy fatty acids (FAHFAs) are lipids that are modulated by dietary changes such as fasting and high-fat diets, and they play a role in insulin sensitivity. These compounds generally consist of a fatty acid chain of either 16 or 18 carbons (for example, palmitoleic, palmitic, oleic, or stearic acid) esterified to a similarly long hydroxy fatty acid. One specific FAHFA, 9-SAHSA, features stearic acid esterified at the 9th carbon of hydroxy stearic acid. The concentration of 9-SAHSA is notably increased in the serum of glucose-tolerant AG4OX mice, which specifically express the Glut4 glucose-transporting protein in adipose tissue.</p>

<p>Mitochondria degrader-1, a potent autophagy inducer, aids in neurodegenerative, cancer, and aging disease research.</p>

<p>RORγt agonist 3 is a potent agonist of RORγt.</p>

<p>ATX inhibitor 15, an indole-based carbamate, has a 2.17 nM IC50 against ATX, suppresses pro-fibrotic genes, and protects against mouse lung fibrosis.</p>

<p>NUCC-0223619 is an IDO1 inhibitor that induces the degradation of IDO protein and can be involved in the synthesis of PROTAC.</p>

<p>FTI-276 is an inhibitor of protein farnesyltransferase (PFT) (IC50s: 0.9 and 0.5 nM for Plasmodium falciparum and human).</p>

<p>BMS-186511: An FT inhibitor targeting malignant cells in NF1, halting growth and spread without affecting related enzymes.</p>

<p>sEH/AChE-IN-4-15 is a dual sEH and AChE inhibitor crossing the BBB, with IC50s: 3.1 nM (hsEH), 1660 nM (hAChE), 179 nM (hBChE), 14.5 nM (msEH), 102 nM (mAChE).</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>Bemfivastatin hemicalcium (PPD 10558), an orally active HMG-CoA reductase inhibitor, serves as a lipid-lowering agent.</p>

<p>Very long chain polyunsaturated fatty acids (VLCPUFA), notably present in the retina, sperm, and brain, have yet to be fully understood in terms of their biosynthesis and functional roles within these tissues. Recent research, particularly with the elongation of very long-chain FA-4 protein, indicates a distinct function for VLCPUFAs in retinal development and the progression of macular degeneration. CAY10632, a specific C32:6 VLCPUFA, while largely unexplored in its biological activities, is believed to play a role in maintaining normal function of photoreceptor cells in the retina.</p>

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

<p>DPM-1001 trihydrochloride: Potent PTP1B inhibitor, IC50 100 nM, oral, non-competitive, anti-diabetic.</p>

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

<p>DHODH-IN-22: potent, selective DHODH inhibitor, orally active, IC50: 0.3 nM, for AML research.</p>

<p>JNJ-10258859 is a potent, and selective phosphodiesterase type 5 inhibitor with a K(i) of 0.23 nM.</p>

<p>SM-32504 is a potent inhibitor of ACAT.</p>

<p>FR-190809 is a nonadrenotoxic and orally efficacious inhibitor of acyl-CoA:cholesterol O-acyltransferase (ACAT) (IC50: 45 nM).</p>

<p>ICMT-IN-43 (compound 22) acts as a potent inhibitor of the enzyme ICMT, exhibiting an inhibitory concentration (IC50) value of 0.04 μM [1].</p>

<p>QH536 degrades HMGCR (EC50: 0.22 μM), has anti-inflammatory properties, and avoids cholesterol buildup; useful for cardiovascular and NASH research.</p>

<p>ICMT-IN-21 (compound 6ag) is an ICMT inhibitor with an IC50 value of 8.8 µM, featuring sulfonamide-modified farnesyl cysteine (SMFC).</p>

<p>15-beta PGF2α, a biochemical compound, serves as a pivotal mediator in diverse physiological processes.</p>

<p>Biliverdin, produced through the oxidation of bilirubin, can also be synthesized through a non-protoporphyrin pathway in Corynebacterium glutamicum [1].</p>

<p>RORγt Inverse agonist 3 is a potent, selective and orally active inverse agonist of RORγ(EC50s of 0.22 μM and 0.15 μM for hRORγ and RORγt (human IL-17 cells),</p>

<p>L791943 is a selective, potent) inhibitor of Phosphodiesterase-4 (PDE4,IC50 of 4.2 nM).</p>

<p>RB 101 suppresses enkephalinase and aminopeptidases; biologically cleaved at disulfide to produce inhibitors of both aminopeptidase N and neutral endopeptidase.</p>

<p>11-Hexadecenoic acid, a monounsaturated fatty acid, comprises both 11-cis-hexadecenoic acid and 11-trans-hexadecenoic acid. These isoforms are present in ewe milk fat and their concentrations increase when the diet is supplemented with lipids from linseed, sunflower, olive, or fish oils. Additionally, 11-trans-hexadecenoic acid is found in intramuscular fat of both male and female foals. The product is a blend of the 11-cis and 11-trans forms. [Matreya, LLC. Catalog No. 1208]</p>

<p>G1-OC2-K3-E10, an ionizable lipid, facilitates mRNA delivery through lipid nanoparticles (LNPs) [1].</p>

<p>CL4H6, a pH-sensitive cationic lipid, serves as the primary constituent of lipid nanoparticles (LNPs). These LNPs are instrumental in targeting and delivering siRNA, leading to a potent gene-silencing response [1] [2].</p>

<p>GIV3727, a bitter taste receptor hTAS2R antagonist, inhibits the activation of hTAS2R31 by saccharin and acesulfame potassium, effectively diminishing the</p>

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

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

<p>3-Aminoisobutyric acid, a non-protein amino acid resultant from thymine catabolism, plays a significant role in metabolic activities. At a 5 µM concentration, it triggers browning in primary adipocytes, notably elevating uncoupling protein 1 (UCP-1) and CIDEA expression. Additionally, it boosts PPARα expression in both primary adipocytes and mouse inguinal white adipose tissue (WAT) in vivo, alongside enhancing β-oxidation in hepatocytes. Its plasma levels surge post-exercise in mice, and its administration at 100 mg/kg daily curtails weight gain and body fat without diminishing food consumption or hiking energy output, whilst ameliorating glucose tolerance. Notably, 3-aminoisobutyric acid concentrations are heightened in individuals with β-ureidopropionase deficiency, a genetic flaw impairing pyrimidine degradation, affecting plasma, urine, and cerebrospinal fluid.</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>(±)16,17-EDT, an oxylipin metabolite of adrenic acid produced through the cytochrome P450 (CYP) pathway, effectively induces dilation in isolated porcine</p>

<p>3-Decyl-5,5'-diphenyl-2-thioxo-4-imidazolidinone (compound 45), having a pI50 of 5.89, shows promise as an inhibitor of fatty acid amide hydrolase (FAAH). Despite its activity, it demonstrates a lack of affinity for cannabinoid receptors CB(1) and CB(2) [1].</p>

<p>1,2-Dilauroyl-sn-glycero-3-phosphoethanolamine (DLPE), a phosphatidylethanolamine derivative featuring lauric acid (12:0) acyl chains, serves in the development of liposomes [1].</p>

<p>ICMT-IN-27, also known as compound 64, is an inhibitor of the enzyme ICMT, demonstrating potent activity with an IC50 value of 0.1 µM [1].</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>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>ICMT-IN-45 (compound 24) serves as an ICMT inhibitor, demonstrating an IC50 value of 0.132 μM [1].</p>

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

<p>ZK824190: oral uPA inhibitor, IC50 - uPA 237 nM, tPA 1600 nM, Plasmin 1850 nM.</p>

<p>5-PAHSA, a FAHFA formed through the formal condensation of the carboxy group of palmitic acid with the hydroxy group of 5-hydroxystearic acid, serves as a human metabolite, possesses anti-inflammatory and hypoglycemic properties, and is categorized as a long-chain fatty acid. This compound, deriving from hexadecanoic acid and octadecanoic acid, is the conjugate acid of a 5-PAHSA(1-).</p>

<p>ICMT-IN-41 (compound 20) serves as a potent inhibitor of isoprenylcysteine carboxyl methyltransferase (ICMT), demonstrating an IC50 value of 0.069 μM [1].</p>

<p>ICMT-IN-32 (compound 70) acts as an inhibitor of isoprenylcysteine carboxyl methyltransferase (ICMT), demonstrating an IC50 value of 0.777 µM [1].</p>

<p>BMS-262084 is a potent selective β-lactam trypsin inhibitor with therapeutic potential in the treatment of asthma.</p>

<p>Pactimibe is a ACAT inhibitor. It has anti-atherosclerotic activity.</p>

<p>ICMT-IN-40 (compound 19) is a potent inhibitor of ICMT, exhibiting an IC50 value of 0.031 μM [1].</p>

<p>1,2-Diheptadecanoyl-sn-glycero-3-phosphorylcholine (DHPC) is a derivative of phosphatidylcholine (PC) that exhibits biological activity, functioning as a</p>

<p>1-Myristoyl-2-palmitoyl-3-butyryl-rac-glycerol, a triacylglycerol with myristic acid (at the sn-1 position), palmitic acid (at the sn-2 position), and butyric acid (at the sn-3 position), has been detected in human breast milk.</p>

<p>ICMT-IN-24 (compound 63) is an inhibitor of isoprenylcysteine carboxyl methyltransferase (ICMT), exhibiting potent activity with an IC50 value of 0.19 μM [1].</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>KCA-1490 is an inhibitor of dual PDE3/4.</p>

<p>Dieicosanoin is a diacylglycerol that incorporates arachidic acid, a saturated long-chain fatty acid featuring a 20-carbon backbone. This acid is derivable from sources such as peanut butter and anaerobic fungi [1] [2].</p>

<p>Yonkenafil HCl, a PDE5 inhibitor, is used potentially for the treatment of erectile dysfunction.</p>

<p>8(Z),14(Z)-Eicosadienoic Acid, an ω-8 C20:2 fatty acid, constitutes 0.19% of total fatty acids in human milk. In vivo, it is converted by desaturases into eicosatrienoic acids, known for their potent vasodilator properties. However, the physiological effects of 8(Z),14(Z)-Eicosadienoic Acid remain unexplored.</p>

<p>15-deoxy-Δ12,14-Prostaglandin D2 (15-deoxy-Δ12,14-PGD2) is a PGD2 metabolite functioning as an agonist for the PGD2 receptor 2 (DP2), with a binding affinity (Ki) of 50 nM for the mouse DP2 receptor expressed in HEK293 cell membranes. It activates eosinophils with an EC50 of 8 nM and enhances the recruitment of steroid receptor coactivator-1 (SRC-1) to peroxisome proliferator-activated receptor γ (PPARγ), initiating PPARγ-mediated transcription at 5 µM concentration. Furthermore, it exhibits cytotoxicity towards L1210 murine leukemia cells with an IC50 of 0.3 µg/ml and displays weaker inhibition of ADP-induced platelet aggregation than PGD2, with an IC50 of 320 ng/ml.</p>