Search Result
Results for "
Drug candidate
" in MedChemExpress (MCE) Product Catalog:
3
Biochemical Assay Reagents
Cat. No. |
Product Name |
Target |
Research Areas |
Chemical Structure |
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- HY-76772A
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(+)-SNI-2011; (+)-AF102B hydrochloride hemihydrate
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mAChR
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Neurological Disease
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(+)-Cevimeline hydrochloride hemihydrate ((+)-SNI-2011), a potent muscarinic receptor agonist, is a candidate therapeutic drug for xerostomia in Sjogren's syndrome.
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- HY-76772B
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(-)-SNI-2011; (-)-AF102B hydrochloride hemihydrate
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mAChR
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Neurological Disease
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(-)-Cevimeline hydrochloride hemihydrate ((-)-SNI-2011), a novel muscarinic receptor agonist, is a candidate therapeutic drug for xerostomia in Sjogren's syndrome.
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- HY-157403
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Virus Protease
SARS-CoV
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Infection
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Jun12682 is an orally active SARS-CoV-2 papain-like protease (PL pro) inhibitor, with a Ki value of 37.7 nM and an EC50 value of 1.1 μM in the FlipGFP PL pro assay. Jun12682 has efficacy in hindering PL pro both deubiquitination and deISGylation, with Ki values of 63.5 and 38.5 nM, respectively. Jun12682 exhibits resistance in multiple PL pro mutant strains, and its enzymatic activity is comparable to that of the wild-type. Jun12682 can be used for the study of the SARS-CoV-2 .
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- HY-W087964
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Biochemical Assay Reagents
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Others
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Dodecanedioyl dichloride, Dodecanedioyl dichloride is commonly used in organic synthesis as a general building block for the preparation of various polymers and plastics, including nylon 12 and polyester resins, it can be used to introduce acid chloride groups into other organic molecules, which can then be further reaction to form more complex compounds, moreover, it has been used in medicinal chemistry as a starting material for the synthesis of various drugs and drug candidates.
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- HY-132972
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TrxR
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Cancer
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TrxR-IN-2, a potential thioredoxin reductase (TrxR) inhibitor, represents a promising candidate drug for the chemoresearch of drug-resistant hepatocellular carcinoma.
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- HY-16672
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Bacterial
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Infection
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AVX 13616 shows the potent in vivo antibacterial activity of Avexa’s lead antibacterial candidate; particularly against drug-resistant Staphylococcus pathogens.
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- HY-161249
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Pantetheinase
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Inflammation/Immunology
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Vanin-1-IN-4 (compound (S)-1) is vanin-1 inhibitor with a chiral methyl substituent, with profils as potent drug-candidate but exist as an amorphous solid .
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- HY-18332
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- HY-162508
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Bacterial
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Infection
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KSK-104 has potent antibacterial activity against Mycobacterium tuberculosis (MIC=0.78 μM). The role of KSK-104 is mainly involved in the synthesis and recovery pathways of pyridoxal 5'-phosphate (PLP), PLP-dependent enzymes and oxidative stress networks. KSK-104, as a candidate molecule for novel anti-tuberculosis drugs, can be used to develop research against drug-resistant mycobacterium tuberculosis .
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- HY-145829
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JAK
Apoptosis
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Inflammation/Immunology
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Tofacitinib precursor-1 is an effective and oral active precursor to mitigate the systemic adverse effects of Tofacitinib. Tofacitinib precursor-1 can effectively attenuate the oxazolone-induced colitis in mice model with low toxicity. Tofacitinib precursor-1 is a potential drug candidate for the research of ulcerative colitis .
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- HY-162462
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Apoptosis
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Cancer
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Antitumor agent-151 (7k) is a significant HsClpP agonist and an antileukemia drug candidate. Antitumor agent-151 (7k) exhibits remarkably enhanced proteolytic activity of HsClpP (EC50 = 0.79 μM) and antitumor activity in vitro (IC50 = 0.038 μM). Antitumor agent-151 (7k) induces apoptosis .
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- HY-163546
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HSV
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Infection
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HSV-1-IN-1 (compound 1b) is a drug candidate for herpes simplex virus HSV-1(IC50=0.5 nM) and HSV-2(IC50=16 nM) infection. HSV-1-IN-1 inhibits the helicase-primase complex to prevent viral replication, thereby inhibiting HSV infection .
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- HY-104086
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CB7; Carrier CB7
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Biochemical Assay Reagents
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Others
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Cucurbit[7]uril is a cyclic organic molecule consisting of seven glycoluril units linked by methylene bridges. It has a rigid barrel-like structure with two identical inlets at both ends to selectively encapsulate guest molecules of appropriate size, shape, and polarity. Cucurbit[7]uril is known for its high binding affinity for a variety of organic and inorganic guests, including drugs, amino acids, peptides, and metal ions. This property makes them promising candidates for various applications in areas such as drug delivery, catalysis, and sensing.
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- HY-153905
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Casein Kinase
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Neurological Disease
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Casein kinase 1δ-IN-6 is a potent and selective protein kinase CK-1δ inhibitor with an IC50 of 23 nM. Casein kinase 1δ-IN-6 shows neuroprotective and anti-inflammatory properties both in vitro and in vivo. Casein kinase 1δ-IN-6 is a promising drug candidate and can be used for neurodegenerative diseases research.
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- HY-163030
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Elastase
NF-κB
p38 MAPK
Bacterial
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Infection
Inflammation/Immunology
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LasB-IN-1 (compound 5f) is a potent and orally active inhibitor of LasB (IC50 = 8.7 μM). LasB-IN-1 effectively attenuates elastase production and biofilm formation by P. aeruginosa while alleviating the inflammatory response through downregulating MAPK and NF-κB pathways. LasB-IN-1 is potential to be a novel anti-infective candidate against drug-resistant infections .
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- HY-14266A
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Apoptosis
Reverse Transcriptase
Autophagy
HIV
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Infection
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Dapivirine hydrochloride is a non-nucleoside reverse transcriptase inhibitor with antitumor activity. Dapivirine hydrochloride attenuates the proliferation of glioblastoma cells and induces apoptosis. Dapivirine hydrochloride modulates autophagy and activates Akt, Bad, and SAPK/JNK signaling pathways. Dapivirine hydrochloride has shown inhibitory effects on glioma cell growth both in vitro and in vivo. Dapivirine hydrochloride is also a promising drug candidate for topical microbial agents for the prevention of sexual transmission of HIV-1 .
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- HY-149430
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Amyloid-β
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Neurological Disease
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YIAD-0205 is an orally available Aβ(1?42) aggregation inhibitor. YIAD-0205 demonstrated in vivo efficacy in an AD transgenic mouse model with five familial AD mutations (5XFAD) .
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- HY-143702
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NBD-DOTAP
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Fluorescent Dye
Liposome
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Inflammation/Immunology
Cancer
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Fluorescent DOTAP (NBD-DOTAP) is a cationic lipid which can be used for nucleic acid and protein delivery. Fluorescent DOTAP is labeled with a fluorophore NBD (maximum excitation/emission wavelength ∼463/536 nm). Fluorescent DOTAP can be used for gene delivery systems, drug delivery, as well as cell imaging and nanocarrier tracking. Fluorescent DOTAP is an ideal candidate for both biological and pharmaceutical formulation (e.g. co-delivery of vaccines) research .
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- HY-172131
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Parasite
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Infection
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Emoquine-1 is an orally active and potent antimalarial drug. Emoquine-1 is efficient against multidrug-resistant Plasmodium parasites, including the Artemisinin-resistant quiescent stage. Emoquine-1 is active against proliferative P. falciparum with IC50 values of 20-55 nM. Emoquine-1 is a candidate to fight Plasmodium parasites resistant to artemisinin-based combination therapies (ACTs) with a capacity to eliminate persistent parasites .
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- HY-16129A
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Calmodulin
MAP3K
MAPKAPK2 (MK2)
Checkpoint Kinase (Chk)
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Cancer
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CBP-501 acetate, a cell-permeable calmodulin-binding peptide and a G2-abrogating drug candidate, inhibits the activity of multiple Ser 216-specific kinases, such as MAPKAP-K2, C-Tak1, CHK1 and CHK2, with IC50 values of 0.9 μM, 1.4 μM 3.4 μM and 6.5 μM, respectively. CBP-501 acetate is used for various types of cancer .
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- HY-N7135
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Tyrosinase
Fungal
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Metabolic Disease
Inflammation/Immunology
Cancer
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Tropolone is a seven-membered non-benzenoid aromatic compound, which is the precursor of many Azulene derivatives. Tropolone is a potent mushroom tyrosinase inhibitor with an IC50 value of 0.4 μM. Its inhibitory effect can be achieved by dialysis or excess CU 2+ Reversa. Tropolone exhibits broad anti-viral and anti-fungal activity and is synergistic upon co-treatment with nucleos(t)ide analog drugs. Tropolone is a promising candidate for research in osteosarcoma .
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- HY-120181
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Isocitrate Dehydrogenase (IDH)
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Cancer
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AGI-14100 is a metabolically stable and orally available mIDH1 inhibitor (IC50=6 nM). The pharmacochemical optimization of AGI-14100 is aimed at eliminating hPXR activation, resulting in the final drug candidate AG-120. AG-120 can be used in the study of cancers carrying IDH1 mutations. The discovery and development of AGI-14100 can be used for further studies of mutant isocitrate dehydrogenase 1 (mIDH1) inhibitors .
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- HY-124310
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Phosphodiesterase (PDE)
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Neurological Disease
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PDE5-IN-6c is a potent and selective phosphodiesterase 5A1 (PDE5A1) inhibitor with the potential to inhibit Alzheimer's disease (AD). PDE5-IN-6c exhibits an excellent in vitro IC50 (0.056 nM), demonstrating its potent inhibitory activity. PDE5-IN-6c has improved water solubility, making it a more attractive drug candidate .
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- HY-N7135R
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Tyrosinase
Fungal
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Metabolic Disease
Inflammation/Immunology
Cancer
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Tropolone is a seven-membered non-benzenoid aromatic compound, which is the precursor of many Azulene derivatives. Tropolone is a potent mushroom tyrosinase inhibitor with an IC50 value of 0.4 μM. Its inhibitory effect can be achieved by dialysis or excess CU2+ Reversa. Tropolone exhibits broad anti-viral and anti-fungal activity and is synergistic upon co-treatment with nucleos(t)ide analog drugs. Tropolone is a promising candidate for research in osteosarcoma .
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- HY-16129
-
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Calmodulin
Checkpoint Kinase (Chk)
MAPKAPK2 (MK2)
MAP3K
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Cancer
|
CBP-501, a cell-permeable calmodulin-binding peptide and a G2-abrogating drug candidate, inhibits the activity of multiple Ser 216-specific kinases, such as MAPKAP-K2, C-Tak1, CHK1 and CHK2, with IC50 values of 0.9 μM, 1.4 μM 3.4 μM and 6.5 μM, respectively. CBP-501 is used for various types of cancer .
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- HY-153519
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Epigenetic Reader Domain
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Cancer
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WWL0245 is a potent and seletive BRD4 PROTAC. WWL0245 selectively degrades BRD4 with sub-nanomolar DC50 (<1 nM) than BRD2/3 and PLK1 ( DC50>1 μM). WWL0245 shows excellent selective cytotoxicity in the BETi sensitive cancer cell lines, including AR-positive prostate cancer cell lines. WWL0245 is a promising drug candidate for AR-positive prostate cancer research and a valuable tool compound to study the biological function of BRD4 .
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- HY-174867
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PROTACs
Ferroptosis
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Cancer
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AY-4 (Compound AY-4) is an efficient PROTAC degrader targeting FTH1 (Kd = 3.17 nM). AY-4 effectively upregulates the levels of ferrous (Fe 2+) and ferric (Fe 3+) ions in cells. AY-4 is a potential anticancer candidate compound that regulates iron homeostasis through ferritin degradation and enhances the efficacy of existing drugs. AY-4 can effectively reduce the level of FTH1 in breast cancer cells (Pink: FTH1 ligand AY-2 (HY-174871); Blue: E3 ligand Pomalidomide (HY-10984); Black: Linker, Pomalidomide-PEG3-acid (HY-174872)) .
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- HY-174802
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Cyclic GMP-AMP Synthase
IKK
IFNAR
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Inflammation/Immunology
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XL-3158 is a selective and cross-species Cyclic GMP-AMP synthase (cGAS) inhibitor (IC50: 11.1 μM for human cGAS, 2.19 μM for mouse cGAS). XL-3158 simultaneously occupy allosteric and orthosteric sites, stabilizing the activation loop in a closed, inactive conformation and thereby attenuating the cGAS-DNA interactions. XL-3158 inhibits cGAS by targeting phase separation. XL-3158 efficiently penetrates cells by inhibiting aggregate formation, effectively reducing the local concentration of cGAS within cells. XL-3158 has no obvious cytotoxicity within the effective concentration range and is suitable for subsequent cell function experiments. XL-3158 overcomes species selectivity barriers and serves as a drug candidate for cGAS-dependent inflammatory diseases.
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HY-L920
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25,622 compounds
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With the aging population and increasing competitive pressures, neurodegenerative diseases of the central nervous system (CNS) have become a serious medical challenge in modern society, including Parkinson's disease, Alzheimer's disease, brain tumors, and multiple sclerosis.
The CNS MPO (Multi-Parameter Optimization) score is a widely recognized algorithm in medicinal chemistry. Developed by Pfizer, this method is based on an analysis of approved CNS drugs and their interior CNS drug candidates, establishing the CNS MPO rules. It incorporates six key physicochemical properties (ClogP, ClogD, MW, TPSA, HBD, and pKa) to prospectively optimize CNS drug attributes—such as high blood-brain barrier (BBB) permeability, low P-gp efflux liability, low metabolic clearance, and high safety—thereby improving the clinical success rate of CNS drug candidates.
The CNS MPO compound library is a collection of compounds with CNS MPO scores greater than 5, specifically designed for CNS drug discovery.
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HY-L061
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4,626 compounds
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Most of the drugs that are available in the marketplace are administered via the oral route, which is a convenient and cost effective route of administration. Thus, oral bioavailability is one of the key considerations in drug design and development. A high oral bioavailability reduces the amount of an administered drug necessary to achieve a desired pharmacological effect and therefore could reduce the risk of side-effects and toxicity. A poor oral bioavailability can result in low efficacy and higher inter-individual variability and therefore can lead to unpredictable response to a drug. Low oral bioavailability in clinical trials is a major reason for drug candidates failing to reach the market.
MCE offers a unique collection of 4,626 compounds with confirmed high oral bioavailability. MCE Orally Active Compound Library is a useful tool for discovering new drugs with oral bioavailability.
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HY-L0120V
-
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170,269 compounds
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“BioDesign” approach incorporates key structural features of known pharmacologically relevant natural products (e.g. alkaloids and other secondary metabolites) into synthetically feasible medicinal chemistry scaffolds. In order to identify the privileged pharmacophores, ring systems and linkers, we have carried out statistical analysis of structural features of natural products, marketed drugs, and drug candidates.
Saturated, fused ring, spiro, and bridged systems with a tendency towards multiple chiral centers are highly privileged among natural products and marketed drugs yet these structures are very poorly represented in commercial libraries. This library addressed this market need by incorporating these privileged elements into the design of novel synthetic molecules with high molecular framework diversity, multiple stereogenic centers (≥2), and degree of saturation (Fsp3 > 0.5).
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Cat. No. |
Product Name |
Type |
-
- HY-W087964
-
|
Biochemical Assay Reagents
|
Dodecanedioyl dichloride, Dodecanedioyl dichloride is commonly used in organic synthesis as a general building block for the preparation of various polymers and plastics, including nylon 12 and polyester resins, it can be used to introduce acid chloride groups into other organic molecules, which can then be further reaction to form more complex compounds, moreover, it has been used in medicinal chemistry as a starting material for the synthesis of various drugs and drug candidates.
|
-
- HY-104086
-
CB7; Carrier CB7
|
Drug Delivery
|
Cucurbit[7]uril is a cyclic organic molecule consisting of seven glycoluril units linked by methylene bridges. It has a rigid barrel-like structure with two identical inlets at both ends to selectively encapsulate guest molecules of appropriate size, shape, and polarity. Cucurbit[7]uril is known for its high binding affinity for a variety of organic and inorganic guests, including drugs, amino acids, peptides, and metal ions. This property makes them promising candidates for various applications in areas such as drug delivery, catalysis, and sensing.
|
-
- HY-143702
-
NBD-DOTAP
|
Drug Delivery
|
Fluorescent DOTAP (NBD-DOTAP) is a cationic lipid which can be used for nucleic acid and protein delivery. Fluorescent DOTAP is labeled with a fluorophore NBD (maximum excitation/emission wavelength ∼463/536 nm). Fluorescent DOTAP can be used for gene delivery systems, drug delivery, as well as cell imaging and nanocarrier tracking. Fluorescent DOTAP is an ideal candidate for both biological and pharmaceutical formulation (e.g. co-delivery of vaccines) research .
|
Cat. No. |
Product Name |
Target |
Research Area |
-
- HY-16129A
-
|
Calmodulin
MAP3K
MAPKAPK2 (MK2)
Checkpoint Kinase (Chk)
|
Cancer
|
CBP-501 acetate, a cell-permeable calmodulin-binding peptide and a G2-abrogating drug candidate, inhibits the activity of multiple Ser 216-specific kinases, such as MAPKAP-K2, C-Tak1, CHK1 and CHK2, with IC50 values of 0.9 μM, 1.4 μM 3.4 μM and 6.5 μM, respectively. CBP-501 acetate is used for various types of cancer .
|
-
- HY-16129
-
|
Calmodulin
Checkpoint Kinase (Chk)
MAPKAPK2 (MK2)
MAP3K
|
Cancer
|
CBP-501, a cell-permeable calmodulin-binding peptide and a G2-abrogating drug candidate, inhibits the activity of multiple Ser 216-specific kinases, such as MAPKAP-K2, C-Tak1, CHK1 and CHK2, with IC50 values of 0.9 μM, 1.4 μM 3.4 μM and 6.5 μM, respectively. CBP-501 is used for various types of cancer .
|
Cat. No. |
Product Name |
Category |
Target |
Chemical Structure |
Cat. No. |
Product Name |
|
Classification |
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- HY-143702
-
NBD-DOTAP
|
|
Cationic Lipids
|
Fluorescent DOTAP (NBD-DOTAP) is a cationic lipid which can be used for nucleic acid and protein delivery. Fluorescent DOTAP is labeled with a fluorophore NBD (maximum excitation/emission wavelength ∼463/536 nm). Fluorescent DOTAP can be used for gene delivery systems, drug delivery, as well as cell imaging and nanocarrier tracking. Fluorescent DOTAP is an ideal candidate for both biological and pharmaceutical formulation (e.g. co-delivery of vaccines) research .
|
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