9月
HBV-IN-35；化合物 HBV-IN-35HBV-IN-35 (2024/9/14)
簡(jiǎn)介：compound hbv-in-35 (compound 88) serves as an hbv inhibitor and exhibits anti-hbv activity in both mouse and human hepatocytes with ec50 values of 100 nm and 400 nm, respectively [1].
PROTAC BTK Degrader-6；化合物 PROTAC BTK Degrader-6PROTAC BTK Degrader-6 (2024/9/14)
簡(jiǎn)介：protac btk degrader-6 (compound 15), with a dc50 of 3.18 nm, exhibits anti-inflammatory properties by inhibiting nf-κb activation and suppressing the expression of pro-inflammatory cytokines, such as il-1β and il-6 [1].
TrxR1-IN-1；化合物 TrxR1-IN-1TrxR1-IN-1 (2024/9/14)
簡(jiǎn)介：compound 5j, also known as trxr1-in-1, is a trxr1 inhibitor with an ic50 of 8.8 μm. it exhibits anticancer activity, demonstrating ic50 values of 1.5 μm in mcf-7, 1.7 μm in hela, 2.4 μm in bgc-823, 2.8 μm in sw-480, and 2.1 μm in a549 cells. additionally, trxr1-in-1 possesses antioxidant activity, effectively scavenging the dpph radical [1].
Anticancer agent 139；化合物 Anticancer agent 139Anticancer agent 139 (2024/9/14)
簡(jiǎn)介：compound 6h (anticancer agent 139) exhibits potent anticancer activity, engaging in a π-cationic interaction with lys352 of tubulin and demonstrating high efficacy against snb-19, ovcar-8, and nci-h460 with pgis of 86.61, 85.26, and 75.99, respectively. moreover, it shows moderate activity against a range of other cancer cell lines — hop-62, snb-75, achn, nci/adr-res, 786-o, a549/atcc, hct-116, and mda-mb-231 — with pgis between 51.88 and 67.55 [1].
Halosulfuron-methyl；氯吡嘧磺隆A841101|||Sempra|||A 841101|||A-841101；A841101|||Sempra|||A 841101|||氯吡嘧磺隆| (2024/9/14)
簡(jiǎn)介：halosulfuron-methyl (a841101) is a common herbicide.
D3R/MOR antagonist 2；化合物 D3R/MOR antagonist 2D3R/MOR antagonist 2 (2024/9/14)
簡(jiǎn)介：compound 121, a d3r/mor antagonist with k i values of 361 nm and 85.2 nm for d3r and mor respectively, has the potential for analgesic effects through mor partial agonism and may reduce opioid-misuse liability through d3r antagonism [1].
D3R/MOR antagonist 1；化合物 D3R/MOR antagonist 1D3R/MOR antagonist 1 (2024/9/14)
簡(jiǎn)介：compound 114 (d3r/mor antagonist 1) exhibits dual antagonistic activity at dopamine d3 receptors (d3r) and mu-opioid receptors (mor), with k i values of 46.5 nm and 691 nm, respectively. it offers analgesic benefits through partial agonism at mor and may decrease the risk of opioid misuse through its d3r antagonistic properties [1].
Vem-L-Cy5；化合物 Vem-L-Cy5Vem-L-Cy5 (2024/9/14)
簡(jiǎn)介：vem-l-cy5 (compound 3), a vemurafenib-based braf inhibitor conjugated with the near-infrared (nir) fluorophore cyanine-5 (cy5), selectively targets the braf v600e mutation and inhibits mek phosphorylation. this compound demonstrates cell permeability and has been shown to inhibit the growth of various cancer cell types [1].
DNA gyrase B-IN-3；化合物 DNA gyrase B-IN-3DNA gyrase B-IN-3 (2024/9/14)
簡(jiǎn)介：dna gyrase b-in-3 (compound a), with an ic50 of less than 10 nm, acts as an inhibitor of bacterial dna gyrase b and exhibits antibacterial activity against gram-positive strains [1].
MMP13-IN-5；化合物 MMP13-IN-5MMP13-IN-5 (2024/9/14)
簡(jiǎn)介：mmp13-in-5 (compound 13m) is a potent, selective mmp-2/mmp-13 inhibitor with ic50 values of 3.6 μm for mmp-2 and 14.6 μm for mmp-13, implicated in the pathology of osteoarthritis (oa) [1].
MMP13-IN-4；化合物 MMP13-IN-4MMP13-IN-4 (2024/9/14)
簡(jiǎn)介：mmp13-in-4 (compound 13) is a potent, selective mmp-13 inhibitor with an ic50 of 14.6 μm, implicated in the pathology of osteoarthritis (oa) [1].
Tubulin inhibitor 38；化合物 Tubulin inhibitor 38Tubulin inhibitor 38 (2024/9/14)
簡(jiǎn)介：tubulin inhibitor 38 (compound 14), a tetrazole-based agent, demonstrates significant antiproliferative effects by inducing mitotic arrest and blocking the cell cycle at the g2/m phase, ultimately triggering apoptosis. administered at 100 nm for 24 hours, it shows considerable cytotoxicity and selectivity within hela, mcf7, and u87 mg cell lines [1].
Tubulin inhibitor 37；化合物 Tubulin inhibitor 37Tubulin inhibitor 37 (2024/9/14)
簡(jiǎn)介：tubulin inhibitor 37 (compound 12) effectively impedes tubulin aggregation (ic50 = 1.3 μm) and demonstrates antiproliferative activity against human tumor cell lines, showing promise for cancer research [1].
Tubulin inhibitor 36；化合物 Tubulin inhibitor 36Tubulin inhibitor 36 (2024/9/14)
簡(jiǎn)介：tubulin inhibitor 36 (compound 10) serves as a potent novel inhibitor of tubulin polymerization, which consequently induces apoptosis in glioblastoma cells, reflected by an ic50 value of 1.5±0.1 μm. exhibiting significant anti-mitotic activity, this compound demonstrates anti-tumor potential, particularly useful in glioblastoma multiforme (gbm) research [1].
Garcinone B；化合物 Garcinone BGarcinone B (2024/9/14)
簡(jiǎn)介：garcinone b, a xanthone derivative naturally isolated from the pericarp of mangosteen, serves as a potent inhibitor of ace2 and mpro, and is utilized in covid-19 research [1].
Thiacetazone；氨硫脲Diazam|||Thioacetazone|||Neustab|||Neotibil；氨硫脲|||Diazam|||Thioacetazone|||Neustab|| (2024/9/14)
簡(jiǎn)介：thiacetazone (diazam) is a thiosemicarbazone that thioacetazone treatment of pulmonary tuberculosis
HDAC6-IN-17；化合物 HDAC6-IN-17HDAC6-IN-17 (2024/9/14)
簡(jiǎn)介：hdac6-in-17 (compound 5b) is a potent inhibitor of hdac6, exhibiting ic50 values of 150 nm for hdac6, 1400 nm for hdac8, and 2300 nm for hdac4. it demonstrates cytotoxic activity against human cancer cell lines and is utilized in cancer research [1].
HDAC6-IN-16；化合物 HDAC6-IN-16HDAC6-IN-16 (2024/9/14)
簡(jiǎn)介：hdac6-in-16 (compound 5c), a quinazolin-4(3h)-one-based inhibitor of histone deacetylase 6 (hdac6), demonstrates an anticancer effect by inhibiting colony formation, arresting the cell cycle at the g2 phase, and inducing apoptosis [1].
HDAC-IN-60；化合物 HDAC-IN-60HDAC-IN-60 (2024/9/14)
簡(jiǎn)介：hdac-in-60 (compound 21a), a potent histone deacetylase (hdac) inhibitor, promotes intracellular reactive oxygen species (ros) production, induces dna damage, arrests the cell cycle at the g2/m phase, and triggers mitochondria-related apoptotic pathways, leading to cell apoptosis [1].
HDAC-IN-59；化合物 HDAC-IN-59HDAC-IN-59 (2024/9/14)
簡(jiǎn)介：hdac-in-59 (compound 13a), a potent histone deacetylase (hdac) inhibitor, enhances intracellular reactive oxygen species (ros) production, induces dna damage, arrests the cell cycle at the g2/m phase, and triggers the mitochondrial apoptotic pathway, leading to cell apoptosis [1].
SARS-CoV-2-IN-51；化合物 SARS-CoV-2-IN-51SARS-CoV-2-IN-51 (2024/9/14)
簡(jiǎn)介：sars-cov-2-in-51 (s-10), a lead compound for omicron fusion inhibition, demonstrates potent activity against omicron and other sars-cov-2 variants, with ec50 values ranging from 0.82-5.45 μm. it functions by directly interacting with the spike (s) protein in the prefusion state [1], thereby preventing viral entry.
Anticancer agent 136；化合物 Anticancer agent 136Anticancer agent 136 (2024/9/14)
簡(jiǎn)介：anticancer agent 136 (compound 22), a c17-triazole analogue of geldanamycin (gdm), exhibits an ic50 value of 3.38 μm against human dermal fibroblasts (hdf) and binds to heat shock protein 90 (hsp90) with a dissociation constant (kd) of 3.86 μm, demonstrating its apoptosis-inducing capabilities [1].
ABCB1-IN-1；化合物 ABCB1-IN-1ABCB1-IN-1 (2024/9/14)
簡(jiǎn)介：abcb1-in-1 (compound 3) is a potent inhibitor of abcb1 that promotes cell apoptosis. featuring 1-benzylimidazole, it exhibits ic50 values of 1.26 μm for colo205 cells and 2.21 μm for colo320 cells, respectively [1].
SIKs-IN-1；化合物 SIKs-IN-1SIKs-IN-1 (2024/9/14)
簡(jiǎn)介：siks-in-1 (compound 8h), a pyrimidine-5-carboxamide derivative, functions as an inhibitor of salt-inducible kinases (siks), which play a role in the m1/m2 macrophage polarization linked to inflammation. by inhibiting sik activity, this compound increases the anti-inflammatory cytokine il-10 and decreases the pro-inflammatory cytokine il-12, demonstrating significant anti-inflammatory efficacy in a dss-induced colitis model [1].
Tubulin inhibitor 34；化合物 Tubulin inhibitor 34Tubulin inhibitor 34 (2024/9/14)
簡(jiǎn)介：tubulin inhibitor 34 (compound b5), a potent anticancer agent, inhibits tubulin polymerization and induces g2/m arrest and apoptosis. the compound demonstrates significant antivascular and antitumor activity [1].
MTase-IN-1；化合物 MTase-IN-1MTase-IN-1 (2024/9/14)
簡(jiǎn)介：mtase-in-1 (compound 26), a potent and selective inhibitor of coronavirus nsp14 n7-methyltransferases, exhibits an ic50 of 0.72 nm. it disrupts viral rna translation and hinders immune evasion [1].
VEGFR2-IN-4；化合物 VEGFR2-IN-4VEGFR2-IN-4 (2024/9/14)
簡(jiǎn)介：vegfr2-in-4 (compound 25) is a potent, selective inhibitor of the vegfr2 kinase, exhibiting a gi50 of 0.7 nm and demonstrating anti-angiogenic effects. it is utilized in rheumatoid arthritis research [1].
IHMT-IDH1-053；化合物 IHMT-IDH1-053IHMT-IDH1-053 (2024/9/14)
簡(jiǎn)介：ihmt-idh1-053 (compound 16) is an irreversible inhibitor exhibiting high selectivity for the idh1 r132h mutant, achieving an ic50 of 4.7 nm. it preferentially targets idh1 mutants over wild-type idh1 and idh2, both wild-type and mutants. in 293t cells transfected with the idh1 r132h mutant, ihmt-idh1-053 reduces 2-hydroxyglutarate (2-hg) production with an ic50 value of 28 nm. the compound engages with the r132h protein at an allosteric site near the napdh binding region, forming a covalent link
NK3R-IN-1；化合物 NK3R-IN-1NK3R-IN-1 (2024/9/14)
簡(jiǎn)介：nk3r-in-1 (compound 16x), an orally active imidazolepiperazine derivative, acts as a neurokinin receptor nk3r inhibitor and has been shown to reduce blood luteinizing hormone concentrations in an ovariectomy (ovx) model [1].
Yhhu6669；化合物 Yhhu6669Yhhu6669 (2024/9/14)
簡(jiǎn)介：yhhu6669 is an anti-hbv agent that suppresses viral dna and replication by promoting dna-free capsid assembly, effectively reducing hbv dna and hbcag levels in aav/hbv-infected mice and demonstrating favorable pharmacokinetic (pk) properties [1].
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