Metabolism

F1874-108 functions as an inhibitor of both brassinosteroid biosynthesis and signal transduction [1].

"Casein kinase 1δ-IN-4 (compound 567) is a potent inhibitor of casein kinase 1δ with potential application in Alzheimer's disease research [1]."

5α-Androstan-3β-ol, a steroidal androgen, demonstrates selective interaction with cellular components, showing affinity for the androgen receptor (AR) with an IC50 of 1.7 µM and activating the pregnane X receptor (PXR) in HepG2 cells with an EC50 of 0.8 µM. It selectively inhibits the hydroxylase activities of 16α- and 6β-hydroxylase over 16β- or 7α-hydroxylase, with IC50 values of 70 and 110 µM, compared to >150 µM for the latter enzymes, indicating a specificity in its enzyme inhibition profile. Additionally, administration of this compound at a dosage of 30 mg/kg results in a decrease in testis weight and sperm production in mice, highlighting its biological effects on male reproductive parameters.

ICMT-IN-38 (Compound 42) is an ICMT inhibitor, demonstrating an IC50 value of 0.049 μM [1].

TP-1454 is an activator against PKM2 with a biochemically determined AC50 of 10 Nm. It can regulate tumor immune responses by acting on T regulatory cells.

AKB-6899 is an inhibitor of prolyl hydroxylase domain 3 (PHD3) and increases the soluble form of the VEGF receptor (sVEGFR-1) production from GM-CSF-treated

Pactimibe sulfate is a dual ACAT1/2 inhibitor with anti-atherogenic potential, reducing plasma cholesterol.

Hydroxy lenalidomide, a metabolite of the thalidomide analog and anticancer agent lenalidomide, is a derivative substance involved in the metabolic process of its parent compound.

Compound 1e, also known as ALP/Carbonic anhydrase-IN-1, is a dual inhibitor targeting both carbonic anhydrase (CA) isozymes II, IX, and XII, as well as alkaline

GLUT4 activator 1 is a potent glucose transporter type 4 (GLUT4) translocation activator (EC50: 0.14 μM).

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

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).

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

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

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.

Glucocerebrosidase-IN-1 (compound 11a) hydrochloride is a potent, selective GCase (glucocerebrosidase) inhibitor with IC50 and Ki values of 29.3 μM and 18.5 μM

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

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-

S-(N-Methylsulfinylbutylthiocarbamoyl)-L-cysteine (SFN-Cys) is an isothiocyanate derivative, functioning as an active metabolite of sulforaphane, a class I and

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

FASN-in-1 is an effective, specific inhibitor of fatty acid synthase (FASN), a compound specifically designed to target and inhibit the activity of the enzyme

IA1-8H2, a non-covalent, non-competitive inhibitor of PHPT1 with an IC50 of 3.4 μM, is utilized in the study of lung cancer, hepatocarcinoma, and renal cancer [

EOS (d18:1/30:0/18:2) is a lipid molecule that can be used in life science related research. The CAS number of EOS (d18:1/30:0/18:2) is 97040-38-5.

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

cis-Clopidogrel-MP derivative, also Clopidogrel-MP-AM, is a 3'-methoxyacetophenone Clopidogrel metabolite and oral P2Y12 receptor platelet inhibitor.

Cismonoenoic acids form readily from unsaturated fatty acids in animal tissues, with palmitoleic acid (9-cis-hexadecenoic acid) deriving from palmitic acid. An intermediate, 1Δ2-trans-hexadecenoic acid, arises during the β-oxidation of palmitic acid. Furthermore, Δ2-trans-hexadecenoic acid, at a dose of 10 mg/kg, significantly reduces gastric juice secretion in pylorus-ligated rats, indicating potential for gastric ulceration simulation models.

1,2-Dilinoleoyl-3-α-linolenoyl-rac-glycerol is a triacylglycerol featuring linoleic acid at the sn-1 and sn-2 positions and α-linolenic acid at the sn-3 position, identified within corn and soybean oils.

7-Hydroxy Etodolac, an inactive metabolite of the non-steroidal anti-inflammatory drug (NSAID) and COX inhibitor etodolac, serves no active function in the drug's pharmacological effects.

MetAP2-IN-1 is a selective inhibitor of MetAP2, a target involved in angiogenesis-related conditions, suitable for research applications [1].

Indeloxazine is a cerebral activator and anticonvulsant.

MLS000545091 is a potent and selective human epithelial 15-lipoxygenase-2 mixed-type inhibitor.

R-1663 inhibits factor Xa, prolongs clotting, reduces thrombin without affecting bleed time; more effective on peak than ETP.

11(Z),14(Z),17(Z)-Eicosatrienoic acid methyl ester is the ester derivative of 11(Z),14(Z),17(Z)-eicosatrienoic acid, identified within lipid-producing microalgae Nannochloropsis, as well as in diesel-contaminated soils and residential wastewater.

Chinese gallotannin, a non-specific promiscuous inhibitor of α-amylase, exhibits a K(i) value of 0.82 μg/mL against human salivary α-amylase and shows potential

6,9,12,15-Hexadecatetraenoic acid-ethyl ester, an n-1PUFA, demonstrates oral activity and has been shown to lower plasma triglyceride levels in mice when

IDH889: Brain-penetrant, mutant-specific IDH1 inhibitor; selective for IDH1 R132* mutations. IC50: 0.02μM (R132H), 0.072μM (R132C), 1.38μM (wild-type).

3β,5α,6β-Trihydroxycholanic acid, a metabolite derived from 5α,6β-dihydroxycholestanol, exhibits elevated levels in dried blood spots of patients diagnosed with Niemann-Pick disease type C, a neurodegenerative disorder characterized by the accumulation of cholesterol and sphingolipids in lysosomes.

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.

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].

Sch59498 is a potent phosphodiesterase 1c (Pde1c) inhibitor.

ZK824190: oral uPA inhibitor, IC50 - uPA 237 nM, tPA 1600 nM, Plasmin 1850 nM.

MK-8666, a partial GPCR agonist targeting GPR40, may treat type 2 diabetes by enhancing insulin secretion and lowering glucose safely.

12(Z),15(Z)-Heneicosadienoic acid, an ω-6 very long-chain polyunsaturated fatty acid, serves as a positional isomer of heneicosadienoic acid, which is scarcely found in living organisms.

ICMT-IN-47 (compound 26) acts as an ICMT inhibitor with an IC50 value of 0.76 μM [1].

1,2,3-Tripentadecanoyl glycerol, a triacylglycerol featuring pentadecanoic acid at the sn-1, sn-2, and sn-3 positions, occurs in various grapes. It serves as a standard in LC-MS for detecting triacylglycerols in human plasma.

ICMT-IN-53 (compound 12) is an ICMT inhibitor exhibiting an IC50 of 0.96 μM, alongside favorable PAMPA permeability and antiproliferative properties.

LY433771 is a compound that inhibits the activity of Type X secretory phospholipase A2.

1-Palmitoyl-2-Linoleoyl-sn-glycero-3-phosphatidylcholine (PC) is a phospholipid characterized by the incorporation of palmitic (16:0) and linoleic (18:2) acids at the sn-1 and sn-2 positions, respectively. It is utilized in the creation of micelles, liposomes, and various artificial membranes, playing a significant role in research on lipid peroxidation.

Metformin hydroxy analog 2, an oxidation product of the biguanide metformin (1), represents a chemically transformed variant of the original compound, showcasing a modified molecular structure through the process of oxidation.

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

17(R)-Resolvin D3 (17(R)-RvD3) is an aspirin-triggered epimer of resolvin D3, produced from docosahexaenoic acid (DHA) through the action of COX-2 in the presence of aspirin, via a 17(R)-hydroperoxy DHA (17(R)-HDHA) intermediary. Identified in mouse inflammatory exudates, 17(R)-RvD3 notably inhibits the transmigration of isolated human polymorphonuclear cells (PMNs) and fosters the efferocytosis of apoptotic PMNs by macrophages. Furthermore, in a mouse model of zymosan-induced peritonitis, 17(R)-RvD3 administration (10 ng/animal) significantly curtails neutrophil infiltration into the peritoneal cavity and modulates cytokine levels by reducing IL-6 and increasing IL-10 in the inflammatory exudate. It engages GPR32, evidenced by activation in a β-arrestin reporter assay and augments phagocytosis more effectively in CHO cells overexpressing GPR32 compared to controls. Additionally, 17(R)-RvD3 enhances the clearance of etoposide-induced tumor cell debris by monocyte-derived macrophages in H460 human lung carcinoma.

N-Desethyl-N-methyl Vardenafil, a potential impurity in commercial vardenafil preparations, functions as a phosphodiesterase 5 (PDE5) inhibitor, similar to its parent compound. With an IC50 value of 2 nM, it exhibits potent inhibitory activity against PDE5.

XL041 (BMS-852927) is an agonist of LXRβ-selective.

Adomeglivant (LY2409021) is a potent glucagon receptor blocker, reducing blood glucose in type 2 diabetes with minimal side effects.

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

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.

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

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

Therapeutic Agent-1, a heteroaryl compound, serves as an enzyme replacement therapy to enhance glucocerebrosidase activity in the treatment of Gaucher disease [

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

CKD-519: A CETP inhibitor with an IC50 of 2.3 nM, blocking cholesteryl ester transfer in serum.

MGAT2-IN-4 (compound 33) serves as a monoacylglycerol acyltransferase 2 (MGAT2) inhibitor, exhibiting liver metabolic stability.

Sampatrilat, an oral vasopeptidase inhibitor, more potently blocks C-domain ACE (Ki=13.8 nM) over N-domain (Ki=171.9 nM).

17(S)-HpDHA, primarily produced by the 15-Lipoxygenase (LOX) isoenzymes h15-LOX-1 and h15-LOX-2 from docosahexaenoic acid (DHA), is a key regulator in epoxide synthesis through allosteric modulation. Additionally, it effectively inhibits platelet aggregation, demonstrating an EC50 of approximately 1 μM [1].

1-Aminodecylidenebis-phosphonic acid, with its potent inhibitory effect on acid sphingomyelinase (IC50= 20 nM), shows selectivity by being less effective against neutral sphingomyelinase (IC50= >100 μM). Additionally, it entirely prevents dexamethasone-induced apoptosis in HepG2 cells.

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

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

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

Yonkenafil, a PDE5 inhibitor, may reduce stroke damage and aid in Alzheimer's treatment.

ICMT-IN-39, also known as compound 18, functions as an inhibitor of ICMT with an IC50 value of 0.031 µM [1].

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

Diflumidone sodium is a non-steroidal agent with anti-inflammatory activity.

244cis, an ionizable cationic lipid incorporating a piperazine structure, facilitates the creation of lipid nanoparticles (LNPs). These LNPs, when formulated with 244cis and coated with an mRNA reporter gene, exhibit preferential accumulation in the lungs of mice, in contrast to those formulated with SM-102. Additionally, it leads to a reduction in the levels of serum chemokine (C-C motif) ligand 2 (CCL2) [1].

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.

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

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

GNE-783 is a selective inhibitor of CHK1.

PDE7-IN-3 (Example 2) serves as an inhibitor of phosphodiesterase PDE7 and exhibits potential analgesic properties.

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

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

AZD7687: Selective DGAT1 inhibitor, IC50 of 80 nM. In vitro reduces postprandial TAG. In vivo significant GI side effects at >5 mg/day dose.

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

LB-60-OF61 is a NAMPT inhibitor, a NAMPT inhibitor that displays antiproliferative activity against MYC oncogene-dependent cancer cell lines.

SMS1-IN-1 is a potent inhibitor of sphingomyelin synthase 1 (SMS1, IC50 = 2.1 μM), and can be used in the atherosclerosis studies.

AalphaC (2-Amino-alpha-carboline) is a potential carcinogen.

JGB-1-155, serving as a positive allosteric modulator (N-PAMs), effectively enhances the activity of nicotinamide phosphoribosyltransferase (NAMPT) with an EC 50 of 3.29 μM. It mitigates oxidative stress by elevating NAD+ levels in THP-1 human monocytes and reduces TNFα-induced reactive oxygen species (ROS) in HT-22 cells [1].

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

Z-Pro-Pro-CHO acts as a prolyl oligopeptidase inhibitor with half-maximal inhibitory concentrations (IC50) of 0.16 μM for human prolyl oligopeptidase and 0.01

GSK2324 is a potent FXR agonist for the treatment of NAFLD by controlling hepatic lipids through reduced uptake and selective reduction of fatty acid synthesis.

AZD-1656 is a glucokinase activator (GKA) that can cause dose-limiting hypoglycemia in normal animals used in embryofetal development studies and type 2

N-Formyl-L-histidine is a competitive inhibitor of L-histidine deaminase (Ki = 4.26 mM) and also binds to histidine-tRNA synthetase (Ki = 4.6 μM).