drug-like

ABBV-744 is a BDII-selective BET bromodomain inhibitor that inhibits BRD2/3/4. It is used in the research on inflammatory diseases, cancer, and AIDS.

Tirzepatide sodium is the sodium salt form of a dual glucagon-like peptide-1 (GLP-1) and glucose-dependent insulinotropic polypeptide (GIP) receptor agonist peptide drug that enhances insulin secretion and improves glycemic control by simultaneously activating GIP and GLP-1 receptors. In research and clinical settings, Tirzepatide sodium has also demonstrated effects in reducing body weight and improving metabolic parameters, and is used in studies related to type 2 diabetes and metabolic disorders.

SARS-CoV-2 Mpro-IN-9 (compound c7), a nonpeptidic, noncovalent inhibitor of SARS-CoV-2 main protease (Mpro), exhibits potent inhibitory action (IC50 = 0.085 μM) and improved physicochemical and drug metabolism and pharmacokinetics (DMPK) properties. It effectively suppresses viral replication in SARS-CoV-2-infected Vero E6 cells (EC50 = 1.10 μM) and demonstrates low cytotoxicity (CC50 > 50 μM) [1].

Sarpogrelate hydrochloride (MCI-9042) , a selective 5-HT2 antagonist, has been widely used as an anti-platelet agent for the treatment of PAD. Target: 5-HT2 Recepter Sarpogrelate is a drug which acts as an antagonist at the 5HT2A and 5-HT2B receptors. Sarpogrelate hydrochloride was shown to have the same affinity as ritanserin for 5-HT2A receptors, with a Ki value of 8.39 nM. Sarpogrelate hydrochloride lacked prominent 5-HT1-like, 5-HT3, beta, H1, H2 and M3 antagonist activity and weakly blocked alpha 1-adrenoceptors (pKB = 6.30). (S)-M-1 showed weak affinity for 5-HT1-like receptors (pKB = 6.30), alpha 1- (pKB = 6.80) and beta- (pKB = 6.54) adrenoceptors, while (R)-M-1 was a weak antagonist at histamine H1 receptors (pKB = 6.49). After 12 weeks of sarpogrelate administration, FBF and LBF responses during RH showed significant increases from 13.2 +/- 1.7 to 18.1 +/- 2.2 mL/min per 100 mL tissue (P < 0.01) and from 8.2 +/- 0.9 to 14.2 +/- 2.1 mL/min per 100 mL tissue (P < 0.05), respectively. Sarpogrelate hydrochloride -induced augmentation of FBF and LBF responses to RH was maintained at 24 weeks. Long-term oral administration of sarpogrelate improves vascular function in patients with PAD.

N-Ethyl-o-toluidine is a drug with genotoxicity and anticancer potential, exhibiting >70% growth inhibition against yeast strains with specific genetic alterations. It can also serve as an intermediate in dye synthesis.

N-Isopropylnoratropine is a noratropine derivative and an intermediate in the production of ipratropium, an atropine-like bronchodilator drug via an anticholinergic pathway. N-Isopropylnoratropine is used to examine the stability of ipratropium [1].

QN523 represents a novel scaffold with drug-like properties, showing potent in vitro cytotoxicity in a panel of 12 cancer cell lines. QN523 shows significant in vivo efficacy in a pancreatic cancer xenograft model. Autophagy is a major mechanism of action.

Fenspiride hydrochloride (Decaspiride) , an oxazolidinone spiro compound, is a drug used in the therapy of certain respiratory diseases. It is approved for use in Russia for the therapy of chronic and acute inflammatory diseases of ENT organs and the respiratory tract (like sinusitis, tracheobronchitis, otitis, laryngitis, and rhinopharyngitis), and for maintenance therapy of asthma.

SB269652 is the pioneering drug-like allosteric modulator of the dopamine D2 receptor.

Mc-O-Si(di-iso)-Cl is a cleavable ADC linker, frequently used in the synthesis of antibody-drug conjugates (ADCs) such as Gemcitabine-O-Si(di-iso)-O-Mc [1].

Antiviralagent 59 (compound 58) is a selective antiviral agent with drug-like properties, capable of inhibiting a broad spectrum of filoviruses. It demonstrates low off-target activity and inhibitory effects against replicative forms of Ebola virus (EBOV), Sudan virus (SUDV), and Marburg virus (MARV).

Hexylamine is a primary aliphatic amine that presents as a flammable, water-white liquid with a strong, unpleasant ammonia-like, fishy odor. Hexylamine is used as a chemical reagent and versatile synthetic intermediate in organic synthesis, including the creation of polypeptides, functionalized materials for CO₂ capture, and lipid nanoparticles for drug delivery, Hexylamine is toxic by inhalation, ingestion, or skin contact, requiring careful handling, storage, and disposal procedures.

MMAI (5-Methoxy-6-methyl-2-aminoindan) hydrochloride acts as a selective serotonin releasing agent and does not produce stimulation or hallucinogenic effects in drug discrimination studies with rats. It induces a behavioral syndrome in rats, characterized by reduced motor activity, catatonic-like posture, rotation, Straub tail, prone posture, and decreased sleep duration.

ATX-IN-3 is an orally active autotaxin (ATX) inhibitor with an IC50 of 46 nM. It effectively ameliorates pulmonary fibrosis in mouse models by significantly reducing collagen deposition. ATX-IN-3 demonstrates excellent metabolic stability and drug-like properties, making it suitable for research on idiopathic pulmonary fibrosis (IFP).

Kinase modulator-1 (P142, MS: m/z 445) is a kinase regulator that inhibits Bcr-Abl activity, specifically targeting drug-resistant mutant kinases such as T315IBcr-Abl. It is applicable for research in cancers like chronic myeloid leukemia (CML).

sALT629 is an orally active antituberculosis agent with potent intracellular activity in macrophages (EC50 value of 1.5 μM). It exhibits broad-spectrum activity against Mycobacterium tuberculosis (Mtb) across four different carbon sources, maintaining efficacy against drug-resistant strains and active against both slow-replicating and non-replicating Mtb. When combined with oxazolidinone drugs like Linezolid and Sutezolid, sALT629 shows synergistic activity. This compound is suitable for tuberculosis research.

CAB7-3 is an orally effective HBV capsid assembly modulator that demonstrates excellent antiviral potency. It inhibits HBVDNA with an EC50 of 70 nM and has a CC50 of 32.3 μM. The compound exhibits significant anti-HBV activity across various cell models, with EC50 values of 70 μM in HBV-integrated HepDES19 cells, 1 nM in tetracycline-induced HepAD38 cells, and 2 nM in HBV-infected HLCZ01 cells. In vivo, CAB7-3 effectively reduces hepatic HBV core protein levels and suppresses viral replication. It shows good drug-like properties and safety, making it suitable for hepatitis B virus research.

VA06 is a derivative of QS-21 that maintains strong adjuvant activity while significantly reducing toxicity. It can self-assemble into flexible worm-like micelles with continuous elongated nanostructures, enhancing drug encapsulation. VA06 induces antigen-specific antibody production, boosts the secretion of TNF-α, IFN-γ, and IL-2 in CD4+ and CD8+ T cells, and enhances the expression of immune-related and antiviral-related genes in mature dendritic cells. Without the need for liposomal formulations, VA06 simplifies production and storage processes. It is applicable for research on varicella-zoster virus infections and Mycobacterium tuberculosis infections.

CAII-IN-14 (Compound 3o) is a human carbonic anhydrase II (hCA II) inhibitor with a Ki value of 1.65 nM. It also inhibits hCA I with a Ki of 6.15 nM and hCA IX with a Ki of 5.43 nM, while possessing predicted drug-like properties.

TIQ-15 is an effective and selective CXCR4 antagonist. It has good drug-like properties.

Bibrocathol is a well-established antiseptic drug used for the treatment of acute eyelid diseases like blepharitis.

G-749, a new-type FLT3 inhibitor, exhibits effective and sustained inhibition of the FLT3 wild type and mutants.

KRCA-0008 is an effective and specific ALK/Ack1 inhibitor (IC50: 12/4 nM); displays drug-like properties without hERG liability.

Belaperidone is an antipsychotic drug. It has a clozapine-like receptor profile and affinities for dopamine D(4) and 5-hydroxytryptamine(2A) receptors. LU111995 prolongs the Q-T interval to a limited degree and is not arrhythmogenic over the physiological