9月
COX-2/15-LOX-IN-2；化合物 COX-2/15-LOX-IN-2COX-2/15-LOX-IN-2 (2024/9/14)
簡介：cox-2/15-lox-in-2 is a potent inhibitor of both cox-2 and 15-lox, demonstrating ic50 values of 0.065 μm for cox-2 and 1.86 μm for 15-lox. additionally, it exhibits significant antioxidant activity [1].
Benzopinacole；1,1,2,2-四苯基-1,2-乙二醇Benzopinacole (2024/9/14)
簡介：benzopinacole is an anti-amoeba drug that can be used as an intermediate to synthesize a variety of compounds.
Anticancer agent 147；化合物 Anticancer agent 147Anticancer agent 147 (2024/9/14)
簡介：compound 6j (anticancer agent 147), a sophoridine derivative and ferroptosis inducer, promotes intracellular accumulation of fe2+, reactive oxygen species (ros), and malondialdehyde (mda), enhances endoplasmic reticulum (er) stress, and upregulates activating transcription factor 3 (atf3) expression, demonstrating potent anti-liver cancer effects both in vitro and in vivo [1].
PF-07247685；化合物 PF-07247685PF-07247685 (2024/9/14)
簡介：pf-07247685, a potent bckdc kinase (bdk) inhibitor (ec 50 = 2.2 nm), enhances the binding between bdk and the bckdh e2 core subunit to block e1 phosphorylation. bdk regulation is crucial for bckdh activity, which manages the rate-limiting step in the catabolism of branched-chain amino acids (bcaa). dysfunctional bcaa metabolism is linked to various cardiometabolic disorders such as heart failure (hf), type 2 diabetes mellitus (t2dm), non-alcoholic fatty liver disease (nafld), and obesity. pf-072
PF-07238025；化合物 PF-07238025PF-07238025 (2024/9/14)
簡介：pf-07238025, a potent branched-chain ketoacid dehydrogenase kinase (bdk) inhibitor with an ec50 of 19 nm, enhances the stability of the bdk-bckdh core e2 subunit interaction and inhibits the phosphorylation of the e1 subunit. by modulating bdk, which regulates the phosphorylation of bckdh, a key enzyme in branched-chain amino acid (bcaa) degradation, pf-07238025 indirectly controls the rate-limiting step in bcaa catabolism. dysregulated bcaa metabolism is implicated in various cardiometabolic di
SARS-CoV-2-IN-57；化合物 SARS-CoV-2-IN-57SARS-CoV-2-IN-57 (2024/9/14)
簡介：sars-cov-2-in-57 (compound (+)-r-26) is a potent inhibitor of sars-cov-2 with an ic50 of 80 nm and demonstrates high affinity for the sigma receptor, exhibiting kis of 13.6 nm (s1r) and 14.4 nm (s2r) [1].
PRMT4-IN-3；化合物 PRMT4-IN-3PRMT4-IN-3 (2024/9/14)
簡介：prmt4-in-3 (compound 56) serves as a potent class i protein arginine methyltransferase (prmt) inhibitor, specifically targeting prmt4 with an ic50 value of 37 nm, and displays weaker inhibition toward prmt6, with an ic50 of 253 nm [1].
CDK9-IN-24；化合物 CDK9-IN-24CDK9-IN-24 (2024/9/14)
簡介：cdk9-in-24 (compound 21a) is a potent and selective inhibitor of cdk9 that exhibits a pronounced inhibitory impact on tumor proliferation. it impedes cell growth and triggers apoptosis via the downregulation of mcl-1 and c-myc, rendering it valuable in the study of acute myeloid leukemia [1].
P-gp/BCRP-IN-2；化合物 P-gp/BCRP-IN-2P-gp/BCRP-IN-2 (2024/9/14)
簡介：p-gp/bcrp-in-2 (compound 15), an oxadiazole derivative, functions as a dual inhibitor targeting both the abc transporter p-glycoprotein (ic50: 1.6 nm) and bcrp (ic50: 600 nm). additionally, it bolsters the anti-proliferative impact of doxorubicin in the drug-resistant ht29/dx and mdck-mdr1 human adenocarcinoma colon cancer cell lines [1].
RIPK2/3-IN-1；化合物 RIPK2/3-IN-1RIPK2/3-IN-1 (2024/9/14)
簡介：ripk2/3-in-1 is a potent inhibitor of both ripk2 and ripk3 kinases, exhibiting ic50 values of 3 nm for ripk2 and 117 nm for ripk3. additionally, in a 14-trilan-gly/nod1 thp-1 cell-based nf-κb reporter assay, ripk2/3-in-1 demonstrates an ic50 value of 14 ± 4 nm against ripk2 [1].
JH-XII-03-02；化合物 JH-XII-03-02JH-XII-03-02 (2024/9/14)
簡介：jh-xii-03-02 is a potent and selective leucine-rich repeat kinase 2 (lrrk2) proteolysis targeting chimera (protac) degrader, utilized in parkinson´s disease (pd) research [1].
MAT2A-IN-12；化合物 MAT2A-IN-12MAT2A-IN-12 (2024/9/14)
簡介：mat2a allosteric inhibitor 2 is a potent, selective inhibitor exhibiting an ic50 of 5 nm and demonstrates nanomolar efficacy (ic50 = 5 μm) in proliferation assays utilizing the mtap -/- cell line [1].
2-Aminothiazol-4-acetic acid；2-氨基-4-噻唑乙酸2-Aminothiazol-4-acetic acid (2024/9/14)
簡介：2-aminothiazol-4-acetic acid acts by inhibiting the activity of certain enzymes and proteins related to inflammation, tumor growth and oxidative stress, and has anti-inflammatory, anti-tumor and anti-fungal activities.
MAT2A-IN-11；化合物 MAT2A-IN-11MAT2A-IN-11 (2024/9/14)
簡介：mat2a allosteric inhibitor 1, also known as compound 5, is a selective inhibitor of methionine adenosyltransferase (mat) demonstrating potent activity with an ic50 value of 6.8 nm [1].
GLP-1 receptor agonist 13；化合物 GLP-1 receptor agonist 13GLP-1 receptor agonist 13 (2024/9/14)
簡介：compound (s)-9, a glp-1 receptor agonist, exhibits an ec50 of 76 nm for the glucagon glp-1 receptor [1].
Anticancer agent 146；化合物 Anticancer agent 146Anticancer agent 146 (2024/9/14)
簡介：anticancer agent 146 (compound 1.19) acts as a necroptosis inducer and demonstrates anti-tumor efficacy in the mda-mb-231 mouse xenograft model [1].
CDD-1845；化合物 CDD-1845CDD-1845 (2024/9/14)
簡介：cdd-1845, a non-covalent, non-peptide inhibitor, exhibits potent inhibition of sars-cov-2 m^pro with a k_i value of 3 nm. additionally, cdd-1845 is effective against m^pro variants δp168, a173v, and the combined δp168/a173v variant [1].
CDD-1733；化合物 CDD-1733CDD-1733 (2024/9/14)
簡介：cdd-1733 is a potent, non-covalent, and non-peptide inhibitor of the sars-cov-2 main protease (mpro) with an inhibition constant (k i) of 12 nm. it effectively inhibits mpro variants including δp168, a173v, and the combined δp168/a173v [1].
CDD-1819；化合物 CDD-1819CDD-1819 (2024/9/14)
簡介：cdd-1819, a non-covalent and non-peptide compound, serves as a potent sars-cov-2 mpro inhibitor, exhibiting a k i value of 5 nm. it also effectively inhibits the mpro variants δp168, a173v, and δp168/a173v [1].
hCYP3A4-IN-1；化合物 hCYP3A4-IN-1hCYP3A4-IN-1 (2024/9/14)
簡介：hcyp3a4-in-1 (compound c6) is a potent, orally active inhibitor of hcyp3a4, exhibiting ic50 values of 43.93 nm in human liver microsomes (hlms) and 153.00 nm in the cho-3a4 stably transfected cell line. it competitively inhibits the cyp3a4-mediated hydroxylation of n-ethyl-1,8-naphthalimide (nen) with a ki of 30.00 nm [1].
BChE-IN-17；化合物 BChE-IN-17BChE-IN-17 (2024/9/14)
簡介：bche-in-17 (compound 6n) is a potent, selective inhibitor of butyrylcholinesterase (bche), demonstrating inhibitory half-maximal inhibitory concentrations (ic50s) of 10.5 nm for equine bche (eqbche) and 32.5 nm for human bche (hbche). it exhibits over 1000-fold greater selectivity for bche compared to acetylcholinesterase (ache), while also presenting low neurotoxicity and moderate neuroprotective effects [1].
Tubulin polymerization-IN-45；化合物 Tubulin polymerization-IN-45Tubulin polymerization-IN-45 (2024/9/14)
簡介：tubulin polymerization-in-45, a tubulin-targeting agent, acts as a tubulin polymerization inhibitor by binding to the tubulin´s colchicine site. it induces apoptotic cell death in hepatocellular cancer (hcc) cells [1].
GLS1 Inhibitor-7；化合物 GLS1 Inhibitor-7GLS1 Inhibitor-7 (2024/9/14)
簡介：gls1 inhibitor-7 (compound 4d) serves as a gls1 antagonist with an ic50 value of 46.7 μm, demonstrating potential applications in anticancer, antiaging, and antiobesity therapies [1].
7-Methylcoumarin；7-甲基香豆素7-Methylcoumarin (2024/9/14)
簡介：7-methylcoumarin with strong hepatoprotective activity.
NSC89641；化合物 NSC89641NSC89641 (2024/9/14)
簡介：nsc89641 demonstrates potent inhibition of mers-cov m^pro, achieving an ic_50 value of less than 3.5 μm. furthermore, it exerts significant inhibitory effects on sars-cov-2 m^pro enzymatic activity, with an ic_50 of 3.05 μm [1].
HPPD-IN-1；化合物 HPPD-IN-1HPPD-IN-1 (2024/9/14)
簡介：hppd-in-1 (compound ii-3), a potent hppd inhibitor, exhibits inhibitory activity against arabidopsis thaliana hppd (athppd) with an ic50 of 0.248 μm, surpassing that of mesotrione with an ic50 of 0.283 μm. moreover, it demonstrates excellent herbicidal efficacy against both broadleaf and monocotyledonous weeds [1].
IRAK4-IN-28；化合物 IRAK4-IN-28IRAK4-IN-28 (2024/9/14)
簡介：irak4-in-28 (compound 42), an orally-active irak4 inhibitor (ic50=8.9 nm), exhibits strong binding affinity with a kd of 0.58 nm for the target enzyme. it is utilized for research purposes in the study of inflammation and autoimmune diseases [1].
Y18501；化合物 Y18501Y18501 (2024/9/14)
簡介：y18501, an oxysterol-binding protein (osbpi) inhibitor structurally akin to oxathiapiprolin, demonstrates potent inhibition against phytophthora spp. and pseudoperonospora cubensis with ec50 values between 0.0005 and 0.0046 μg/ml. it exhibits exceptional protective and curative effects on p. cubensis. when used in tandem with chlorothalonil, y18501 markedly enhances the suppression of p. cubensis [1].
Antimalarial agent 31；化合物 Antimalarial agent 31Antimalarial agent 31 (2024/9/14)
簡介：compound 31 (compound 7k) is an orally active inhibitor of plasmodium falciparum aspartic protease, plasmepsin x (pmx), with antimalarial properties [1].
Antiviral agent 36；化合物 Antiviral agent 36Antiviral agent 36 (2024/9/14)
簡介：antiviral agent 36 (compound 27), a potent inhibitor of both dengue (denv) and zika (zikv) viruses, demonstrates replication inhibition with ec50 values of 100 nm for zikv-flr, 90 nm for zikv-hn16, 210 nm for denv-2, and 120 nm for denv-3 [1].
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