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Results for "

ADMET

" in MedChemExpress (MCE) Product Catalog:

15

Inhibitors & Agonists

1

Natural
Products

Cat. No. Product Name Target Research Areas Chemical Structure
  • HY-155992
    WLB-89462

    		Sigma Receptor Neurological Disease
    WLB-89462 (Compound 20c) is a selective σ2 receptor ligand (Ki: 13 nM). WLB-89462 has neuroprotective activity. WLB-89462 improves short-term memory impairment induced by Aβ peptide in rats. WLB-89462 has good ADMET profile (good solubility, no CYP inhibition, good metabolic stability, high permeability, brain penetration, and high oral exposure in rodents) .
    WLB-89462
  • HY-124754
    Navacaprant

    BTRX-335140; CYM-53093

    		 Opioid Receptor Neurological Disease Metabolic Disease
    Navacaprant (BTRX-335140) is a selective and orally active κ opioid receptor (KOR) antagonist, has antagonist activity for κOR, μOR and δOR with IC50 values of 0.8 nM, 110 nM, and 6500 nM, respectively. Navacaprant endows with favorable in vitro ADMET and in vivo pharmacokinetic profiles and medication-like duration of action in rats. Navacaprant distributes well into the CNS and can be used for the research of neuropathy .
    Navacaprant
  • HY-N10616
    Pseudobaptigenin

    		Others Metabolic Disease
    Pseudobaptigenin is a flavonoid. Pseudobaptigenin shows very good anticataract activity. Pseudobaptigenin has good binding affinity for the inhibition of glycation against γ-crystallin protein. Pseudobaptigenin also has good ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) property .
    Pseudobaptigenin
  • HY-117831
    NSC-79887

    		Others Infection
    NSC-79887 is a nucleoside hydrolase (NH) inhibitor with activity against Bacillus anthracis. NSC-79887 is considered a good candidate inhibitor of nucleoside hydrolases for biological testing and further development. The pharmacokinetic (ADMET) prediction of NSC-79887 showed that all physicochemical parameters were within the acceptable range for human use .
    NSC-79887
  • HY-149694
    Aurora kinase inhibitor-12

    		Aurora Kinase Cancer
    Aurora Kinase Inhibitor-12 (Compound 1a ) is the inhibitor of aurora kinase which is a key enzyme that is implicated in tumor growth .
    Aurora kinase inhibitor-12
  • HY-N4190
    Britannilactone diacetate

    1,6-O,O-Diacetylbritannilactone; Di-O-acetylbritannilactone

    		 NO Synthase Neurological Disease Inflammation/Immunology
    Britannilactone diacetate (1,6-O,O-Diacetylbritannilactone; Compound 2) exhibits potential NO inhibition effect. Britannilactone diacetate exhibits activity against NO production induced by LPS in BV-2 microglial cells with the EC50 value of 6.3 μM. Britannilactone diacetate exhibits a favorable blood-brain barriers (BBB) penetration and absorption, distribution, metabolism, excretion, and toxicity (ADMET) property .
    Britannilactone diacetate
  • HY-155416
    M56-S2 iodide

    		SARS-CoV Infection
    M56-S2 iodide is a SARS-CoV-2 M pro inhibitor (IC50=4.0 μM). M56-S2 iodide showed good oral bioavailability and low toxicity in ADMET prediction. M56-S2 iodide has good drug potential and can be used in antiviral (such as SARS-CoV-2) research .
    M56-S2 iodide
  • HY-148862
    Cavα2δ1&NET-IN-1

    		Calcium Channel Monoamine Transporter Inflammation/Immunology
    Cavα2δ1&NET-IN-1 (Compound 59S) is a dual inhibitor of the α2δ‑1 subunit of voltage-gated calcium channels (Cavα2δ-1) and the norepinephrine transporter (NET). Cavα2δ1&NET-IN-1 inhibits Cavα2δ-1 with a Ki of 112 nM. Cavα2δ1&NET-IN-1 inhibits NET with a Ki of 383 nM and IC50 of 67 nM. Cavα2δ1&NET-IN-1 can be used for research of pain .
    Cavα2δ1&NET-IN-1
  • HY-148863
    Cavα2δ1&NET-IN-2

    		Calcium Channel Monoamine Transporter Inflammation/Immunology
    Cavα2δ1&NET-IN-2 (Compound 45CS) is a dual inhibitor of the α2δ‑1 subunit of voltage-gated calcium channels (Cavα2δ-1) and the norepinephrine transporter (NET). Cavα2δ1&NET-IN-2 inhibits Cavα2δ-1 with a Ki of 454 nM. Cavα2δ1&NET-IN-2 inhibits NET with a Ki of 59 nM and IC50 of 7 nM. Cavα2δ1&NET-IN-2 can be used for research of pain .
    Cavα2δ1&NET-IN-2
  • HY-162373
    α-Amylase/α-Glucosidase-IN-10

    		Amylases Glucosidase P-glycoprotein Metabolic Disease
    α-Amylase/α-Glucosidase-IN-10 (compound 5d) is an α-amylase and α-glucosidase inhibitor (IC50: 30.39 μM and 65.1 μM) with potential diabetes inhibitory effects. α-Amylase/α-Glucosidase-IN-10 exhibits high gastrointestinal (GI) absorption in ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) prediction. While α-Amylase/α-Glucosidase-IN-10 acts as a substrate for P-gp and does not cross the blood-brain barrier (BBB), there may be a risk of central nervous system side effects .
    α-Amylase/α-Glucosidase-IN-10
  • HY-145872
    HBV-IN-20

    		HBV Infection
    HBV-IN-20 is a potent and oral active HBV inhibitor with an EC50 of 0.46 µM. HBV-IN-20 is a typical type II CpAM (core protein assembly modulators) .
    HBV-IN-20
  • HY-161068
    hACE2/SP-IN-1

    		SARS-CoV Angiotensin-converting Enzyme (ACE) Infection
    hACE2/SP-IN-1 (compound 7a) is a dual inhibitor of hACE2 and coronavirus spike protein. hACE2/SP-IN-1 can bind to the spike protein and block cell entry, preventing SARS-CoV-2 from infecting human cells .
    hACE2/SP-IN-1
  • HY-123702
    CAP-53194

    		Others Cancer
    CAP-53194 is a selective Plk1 inhibitor with potential anticancer activity. CAP-53194 was identified by a high-throughput virtual screening approach using molecular docking, showing 100-fold selectivity for Plk1 over Plk2-4 and other cell cycle kinases. CAP-53194 is able to effectively exploit subtle differences between the binding sites of Plk1 and other Ser/Thr kinases, thereby enhancing their inhibitory effects. CAP-53194 meets the Lipinski compound analog criteria and passes other ADMET filters, indicating good compound compatibility. CAP-53194 belongs to a new class of potential Plk1 inhibitors suitable for subsequent compound development and testing .
    CAP-53194
  • HY-155239
    VEGFR-2-IN-35

    		VEGFR Cancer
    VEGFR-2-IN-35 (compound 7) is a potent VEGFR-2 inhibitor with IC50=37 nM. VEGFR-2-IN-35 inhibits MCF-7 and HCT 116 cancer cells with IC50 values of 10.56 and 7.07 μM, respectively .
    VEGFR-2-IN-35
  • HY-147697
    LSD1-IN-21

    		Histone Demethylase TNF Receptor Inflammation/Immunology Cancer
    LSD1-IN-21 (compound 5a) is a potent and BBB-penetrated LSD1 (Lysine specific demethylase-1) inhibitor, with an IC50 of 0.956 µM. LSD1-IN-21 significantly reduces the pro-inflammatory cytokine TNF-α. LSD1-IN-21 shows good anticancer and anti-inflammatory activity .
    LSD1-IN-21

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