Metabolism

<p>RP 70676 is a potent ACAT inhibitor(rat and rabbit ACAT with IC50 of 25 and 44 nM ).</p>

<p>GCase Modulator-1 (Compound 9g), a quinazoline derivative, functions as a glucosidase modulator with an AC50 value of 2.23 µM [1].</p>

<p>PDP-EA is an activator of fatty acid amide hydrolase(FAAH) and enhances the amidohydrolase activity of FAAH.</p>

<p>FAAH/cPLA2α-IN-1 is a compound that simultaneously inhibits both FAAH and cPLA2α, demonstrating potent activity with half-maximal inhibitory concentrations (</p>

<p>S-(p-Nitrobenzyl)glutathione acts as a competitive inhibitor of glutathionase.</p>

<p>ICMT-IN-49 (Compound 2) acts as an ICMT inhibitor with an IC50 value of 0.12 μM [1].</p>

<p>9-OxoODE, formed through the oxidation of the allylic hydroxyl group in both 9(S)-HODE and 9(R)-HODE, is present in rabbit reticulocyte plasma and mitochondrial membranes as both 9- and 13-oxoODEs, constituting approximately 2% of the total linoleate residues. The majority of these oxidized linoleate residues are esterified to membrane lipids.</p>

<p>Autotaxin-IN-5 is an Autotaxin inhibitor. It has the potential to treat idiopathic pulmonary fibrosis.</p>

<p>CYP17-IN-1 is an effective oral inhibitor of CYP17 that can inhibit CYP17 in rats and humans with IC50 of 15.8 and 20.1 nM.</p>

<p>Glucosamine Cholesterol, also known as N-Cholesteryl succinyl glucosamine, is a lipid conjugate derived from glucosamine. It plays a crucial role in the development of lipid nanoparticles (LNPs) [1].</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>Compound 144 (also known as Anticancer Agent 144) is a potent inhibitor of both PTPN2 and PTP1B, exhibiting IC50 values of less than 2.5 nM, making it suitable</p>

<p>1,2-Dimyristoyl-3-palmitoyl-rac-glycerol (MMP) is a triacylglycerol comprising myristic acid and palmitic acid [1].</p>

<p>Zopolrestat (CP 73850) is a potent inhibitor of aldose reductase (IC50 = 3.1 nM).</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>Leramistat is a mitochondrial complex I (NIC1) inhibitor that alters cellular metabolism and reduces proliferation in human primary lung fibroblasts.</p>

<p>IDO-IN-9 is an indoleamine-2,3-dioxygenase (IDO) inhibitor with IC50s of 0.011 μM (Kinase) and 0.0018 μM (Hela Cell).</p>

<p>Miglustat hydrochloride (N-Butyldeoxynojirimycin hydrochloride) is an inhibitor of glucosylceramide synthase and can be used for studies about Type I Gaucher</p>

<p>Lateritin (Bassiatin) is An Acyl-CoA:cholesterol acyltransferase (ACAT) inhibitor and a platelet aggregation inhibitor from the mycelial cake of Gibberella</p>

<p>UK-157147 is a substrate for UGT1A1(Km: 105 μM).</p>

<p>GW-6604 is an ALK5 inhibitor and shows clear antifibrotic effects resulting in liver function improvement.</p>

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

<p>FM26, an isoxazole-based RORγt inverse agonist, cuts EL4 IL-17a mRNA; potent with 264 nM IC50.</p>

<p>Bucolome (Paramidine) is a CYP2C9 inhibitor with uricosuric and anti-inflammatory activity.</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>PDE5-IN-42 is a selective inhibitor of second-generation phosphodiesterase type 5 (PDE5).</p>

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

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

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

<p>LX-1031 is an effective inhibitor of tryptophan 5-hydroxylase. LX-1031 decreases serotonin (5-HT) synthesis peripherally.</p>

<p>GSK3987 is an LXR ligand. GSK3987 recruits the steroid receptor coactivator-1 to human LXRalpha and LXRbeta with EC50s of 40 nM.</p>

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

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

<p>ICMT-IN-28 (compound 65) serves as an inhibitor of ICMT, exhibiting significant potency with an IC50 value of 0.008 μM [1].</p>

<p>GPX4-IN-4 (Compound 24) serves as a potent inhibitor of GPX4, applicable in cancer research [1].</p>

<p>PHD2-IN-1, a potent and orally active HIF prolyl hydroxylase 2 (PHD2) inhibitor, exhibits an IC50 of 22.53 nM and is applicable in anemia research [1].</p>

<p>CA Inhibitor 12 strongly blocks CA II (K_i 1.72 nM), also inhibits CA I (271 nM), shows anticancer effects.</p>

<p>h-NTPDase-IN-5 (compound 3b) serves as a pan-inhibitor of NTPDase, exhibiting inhibitory concentration 50 (IC50) values of 1.10 μM (h-NTPDase1), 44.73 μM (h-</p>

<p>Mal-Pc, a maleimide phthalocyanine, depletes GSH to reduce aggregation and boost ROS, improving PDT against cancer.</p>

<p>JP104 is an aryl carbamate that irreversibly inhibits fatty acid amide hydrolase (FAAH) with a pIC50 value of approximately 8 [1].</p>

<p>RORγt inverse agonist 14 (8e) is a potent, selective, and orally active compound with an EC50 of 2.5 nM, exhibiting anti-inflammatory activity.</p>

<p>Lp-PLA2-IN-13 (compound 15), a potent Lp-PLA2 inhibitor, holds potential for research in neurodegenerative-related diseases [1].</p>

<p>Lp-PLA2-IN-14 (Compound 19), an inhibitor of rhLp-PLA2, exhibits a potent inhibitory effect with a pIC50 value of 8.4.</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>5-OP-RU is a MAIT-activating ligand, a major antigen of MAIT cells, a mucosal adjuvant, and can be used to study Mycobacterium tuberculosis infection.</p>

<p>HIF-2α-IN-9 (compound 35r) serves as an HIF-2α inhibitor, effectively suppressing VEGF-A with an IC50 of 305 nM, and modulating growth-promoting genes within</p>

<p>VULM 1457 is a potent ACAT inhibitor.</p>

<p>Cholesterol 24-hydroxylase-IN-2 is a potent inhibitor of cholesterol 24-hydroxylase (CH24H or CYP46A1), exhibiting an IC50 value of 5.4 nM, and has potential</p>

<p>GPX4-IN-2 is a potent inhibitor of GPX4, exhibiting antiproliferative activity. It holds potential for cancer research applications.</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>ICMT-IN-44 (compound 23) serves as an ICMT inhibitor with an IC50 value of 0.167 μM [1].</p>

<p>Gisadenafil (UK-369003) is a selective inhibitor of phosphodiesterase 5 (PDE5) with an IC50 of 3.6 nM and prevents degradation of cGMP.</p>

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

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

<p>Niraxostat (Y-700) is one of the isocytosine derivatives as xanthine oxidase inhibitors.</p>

<p>UCPH-102: Selective EAAT1 inhibitor, IC50 0.43 μM, treats Alzheimer's, ALS, chronic pain, OCD; crosses blood-brain barrier, targets T-ALL cells.</p>

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

<p>Phenylpyropene C inhibits JAK/STAT and IFN-γ expression (IC50: 5.4-10.8 μM), also blocks acyl CoA (IC50: 16.0 μM).</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>CoPoP, a liposome-based vaccine adjuvant, holds potential for application in cancer research [1].</p>

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

<p>EMD638683 is a highly selective SGK1 inhibitor with IC50 of 3 μM. EMD638683 R-Form is the R-form of EMD638683.</p>

<p>XL041 (BMS-852927) is an agonist of LXRβ-selective.</p>

<p>ICMT-IN-36 (compound 40) serves as an ICMT inhibitor, with an IC50 value of 0.181 μM [1].</p>

<p>CI-1044 is an inhibitor of PDE4 (IC50s: 0.29, 0.08, 0.56, 0.09 μM for PDE4A5, PDE4B2, PDE4C2 and PDE4D3).</p>

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

<p>AS 183 is an inhibitor of cholesterol acyltransferase (ACAT).</p>

<p>cis-Clopidogrel-MP derivative, also Clopidogrel-MP-AM, is a 3'-methoxyacetophenone Clopidogrel metabolite and oral P2Y12 receptor platelet inhibitor.</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>RORγt agonist 3 is a potent agonist of RORγt.</p>

<p>Monohydroxy melphalan, a degradation product and DNA alkylating agent derived from melphalan, results from melphalan hydrolysis in aqueous solutions such as cell culture medium and human plasma. It enhances DNA adducts in ML-1 myeloblastic leukemia cells based on concentration and induces cytotoxicity with an IC50 value of 28.1 μg/ml.</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>CM-10-18: potent ER α-glucosidase inhibitor, strong antiviral against hemorrhagic fever viruses, protects mice from dengue fatality.</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>ICMT-IN-22 (compound 62) acts as an ICMT inhibitor with an IC50 value of 0.63 μM [1].</p>

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

<p>ICMT-IN-8 (compound 30) serves as an inhibitor of ICMT, exhibiting an IC50 value of 0.652 μM [1].</p>

<p>Glycosidase-IN-1, a D-mannose-derived inhibitor, has hypoglycemic effects and aids in creating immunosuppressants and β-glucosidase blockers.</p>

<p>C82 acts as an inhibitor of Mycobacterium tuberculosis (Mtb) cyclic dinucleotide phosphodiesterase (CdnP), with an IC50 value of 17.5 µM. This particular enzyme is responsible for breaking down cyclic di-AMP (c-di-AMP) into adenosine 5'-monophosphate (AMP). Notably, C82 demonstrates selectivity for Mtb CdnP over other bacterial cyclic dinucleotide phosphodiesterases (CDN PDEs) such as Yybt, RocR, and Group B Streptococcus (GBS) CdnP, as well as the mammalian CDN PDE ENPP1, and the viral CDN PDE poxin, showing effectiveness at a concentration of 200 µM.</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>RORγt modulator 4 is a RORγt modulator that regulates IL-17A production activity in cells derived from mouse spleen.</p>

<p>Selenocystine, a broad-spectrum anticancer agent, effectively induces DNA damage, notably DNA double-strand breaks (DSBs), in HepG2 cells, showcasing</p>

<p>D-threo-PDMP inhibits glucoceramide synthase, cutting cell surface glycosphingolipids and hindering neurite growth.</p>

<p>HSD17B13-IN-3 (compound 2) is a potent inhibitor of hydroxysteroid 17ß-dehydrogenase 13 (HSD17B13), lacking cellular experimental activity [1].</p>

<p>1-Deazaadenosine, an adenosine deaminase inhibitor (Ki: 0.66 μM), may treat cancer, particularly lymphoproliferative disorders.</p>

<p>ICMT-IN-19 (compound 53) serves as a potent inhibitor of ICMT, demonstrating an IC50 value of 0.026 μM [1].</p>

<p>IDH1 Inhibitor 7 is an IDH1 inhibitor with an IC 50 of less than 100 nM .</p>

<p>ICMT-IN-46 (compound 25) is a potent inhibitor of isoprenylcysteine carboxyl methyltransferase (ICMT), exhibiting an IC50 value of 0.556 μM [1].</p>

<p>Tetramyristoylcardiolipin (TMCL), an anionic lipid, plays a crucial role in studying cell membrane function and drug delivery mechanisms [1].</p>

<p>E-5324 is potent cholesterol acyltransferase (ACAT) inhibitor (IC50s: 44 to 190 nM).</p>

<p>Dasatinib analog-1 (compound 5826) demonstrates inhibition of CYP3A4 activity, presenting a K_i value of 5.4 μM, and effectively prevents the formation of glutathione adducts [1].</p>

<p>NTE-122 is a competitive Acyl-CoA:cholesterol acyltransferase (ACAT) inhibitor.</p>

<p>CKD-519: A CETP inhibitor with an IC50 of 2.3 nM, blocking cholesteryl ester transfer in serum.</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>LY-338979 is an impurity of pemetrexedone.</p>

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