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Results for "

good oral bioavailability

" in MedChemExpress (MCE) Product Catalog:

By Targets:	Adrenergic Receptor (1) Akt (1) Anaplastic lymphoma kinase (ALK) (2) Androgen Receptor (2) Apoptosis (2) ATP Synthase (1) Bacterial (1) Beta-secretase (1) Biochemical Assay Reagents (1) c-Fms (1) CFTR (1) Cholinesterase (ChE) (1) Cytochrome P450 (1) Dihydroorotate Dehydrogenase (1) DNA/RNA Synthesis (1) Epigenetic Reader Domain (2) GSK-3 (2) Histamine Receptor (3) Histone Acetyltransferase (2) Histone Methyltransferase (1) HIV (2) HIV Protease (1) iGluR (1) IRAK (1) Isotope-Labeled Compounds (1) JAK (2) LPL Receptor (1) Mas-related G-protein-coupled Receptor (MRGPR) (1) mGluR (2) Microtubule/Tubulin (1) mTOR (1) Oxytocin Receptor (1) P2X Receptor (1) Phosphodiesterase (PDE) (1) PI3K (1) Potassium Channel (1) Prostaglandin Receptor (1) PROTACs (1) Raf (1) Ribosomal S6 Kinase (RSK) (1) ROCK (2) Salt-inducible Kinase (SIK) (1) SARS-CoV (2) Src (2) Toll-like Receptor (TLR) (2) VEGFR (2)
By Research Areas:	Cancer (17) Cardiovascular Disease (3) Endocrinology (2) Infection (5) Inflammation/Immunology (14) Metabolic Disease (3) Neurological Disease (7)

By Targets:

Adrenergic Receptor (1)

Akt (1)

Anaplastic lymphoma kinase (ALK) (2)

Androgen Receptor (2)

Apoptosis (2)

ATP Synthase (1)

Bacterial (1)

Beta-secretase (1)

Biochemical Assay Reagents (1)

c-Fms (1)

CFTR (1)

Cholinesterase (ChE) (1)

Cytochrome P450 (1)

Dihydroorotate Dehydrogenase (1)

DNA/RNA Synthesis (1)

Epigenetic Reader Domain (2)

GSK-3 (2)

Histamine Receptor (3)

Histone Acetyltransferase (2)

Histone Methyltransferase (1)

HIV (2)

HIV Protease (1)

iGluR (1)

IRAK (1)

Isotope-Labeled Compounds (1)

JAK (2)

LPL Receptor (1)

Mas-related G-protein-coupled Receptor (MRGPR) (1)

mGluR (2)

Microtubule/Tubulin (1)

mTOR (1)

Oxytocin Receptor (1)

P2X Receptor (1)

Phosphodiesterase (PDE) (1)

PI3K (1)

Potassium Channel (1)

Prostaglandin Receptor (1)

PROTACs (1)

Raf (1)

Ribosomal S6 Kinase (RSK) (1)

ROCK (2)

Salt-inducible Kinase (SIK) (1)

SARS-CoV (2)

Src (2)

Toll-like Receptor (TLR) (2)

VEGFR (2)

By Research Areas:

Cancer (17)

Cardiovascular Disease (3)

Endocrinology (2)

Infection (5)

Inflammation/Immunology (14)

Metabolic Disease (3)

Neurological Disease (7)

Inhibitors & Agonists

Screening Libraries

Natural
Products

Isotope-Labeled Compounds

Cat. No.	Product Name	Target	Research Areas	Chemical Structure

HY-114388

QM385 2 Publications Verification	Others	Inflammation/Immunology
QM385 is a potent sepiapterin reductase (SPR) inhibitor with an IC₅₀ of 1.49 nM, which blocks T-cell proliferation and autoimmunity at nanomolar potency and with good oral bioavailability .

HY-148290

KTX-951	PROTACs IRAK	Cancer
KTX-951 is a PROTAC targeting IRAK4 degradation (DC₅₀=18 nM). KTX-951 (10 mg/kg) shows the oral bioavailability (F%) of 22% in a rat model. KTX-951 has good anticancer potential .

HY-151196

FXIa-IN-10	Others	Cardiovascular Disease
FXIa-IN-10 (Compound 3f) is a potent activated factor XI (FXIa) inhibitor with an K_i of 0.17 nM. FXIa-IN-10 has good oral bioavailability .

HY-10096

TCS2002	GSK-3	Neurological Disease
TCS2002 (Compound 9b) is a highly selective, orally bioavailable and potent GSK-3β inhibitor with the IC₅₀ of 35 nM. TCS2002 shows good pharmacokinetic profiles including favorable BBB penetration. TCS2002 can be used for the research of Alzheimer’s disease .

HY-149955

SARS-CoV-2-IN-38	SARS-CoV	Infection
SARS-CoV-2-IN-38 (compound 24) is a SARS-CoV-2 inhibitor with good oral bioavailability in mice (F%=39.75%) .

HY-B0689S

Indinavir-d6 MK-639-d₆ free base; L-735524-d₆ free base	Isotope-Labeled Compounds HIV HIV Protease	Inflammation/Immunology
Indinavir-d₆ is the deuterium labeled Indinavir. Indinavir (MK-639; L735524) is a potent and specific HIV protease inhibitor that appears to have good oral bioavailability.

HY-153715

NV-354 Mitochondria modulator-1	Biochemical Assay Reagents	Metabolic Disease
Mitochondria modulator-1 is a mitochondrial regulator that stimulates mitochondrial ATP production. Mitochondria modulator-1 has good oral bioavailability, blood-brain barrier permeability, and good plasma stability. Mitochondria modulator-1 has the potential to study mitochondrial diseases .

HY-18030B

CEP-28122 mesylate hydrochloride	Anaplastic lymphoma kinase (ALK)	Others
CEP-28122 mesylate hydrochloride is a diaminopyrimidine derivative.CEP-28122 mesylate hydrochloride is a potent, selective, and orally bioavailable ALK inhibitor with an IC₅₀ of 1.9 nM. CEP-28122 mesylate hydrochloride has antitumor and good pharmacokinetic activity .

HY-161354

JAK3 covalent inhibitor-2	JAK Apoptosis	Inflammation/Immunology
JAK3 covalent inhibitor-2 (compound J1b) is a selective, orally potent JAK3 inhibitor (IC₅₀=7.2 nM) with low toxicity, anti-inflammatory activity and good bioavailability .

HY-13847

GNE-555	mTOR	Cancer
GNE-555 is a selective, metabolically stable mTOR inhibitor (K_i=1.5 nM) that also has good oral bioavailability. GNE-555 exhibits antiproliferative activity on PC3 and MCF-7 cells and can be used in cancer research .

HY-124593

PTC299 2 Publications Verification	VEGFR Dihydroorotate Dehydrogenase DNA/RNA Synthesis	Cancer
PTC299 is an orally active inhibitor of VEGFA mRNA translation that selectively inhibits VEGF protein synthesis at the post-transcriptional level. PTC299 is also a potent inhibitor of dihydroorotate dehydrogenase (DHODH). PTC299 shows good oral bioavailability and lack of off-target kinase inhibition and myelosuppression. PTC299 can be useful for the research of hematologic malignancies .

HY-156593

ROCK-IN-9	ROCK	Cancer
ROCK-IN-9 (Compound T345) is a ROCK inhibitor. ROCK-IN-9 shows cytotoxicity in HepG2 cell, with an IC₅₀ of 40.8 μM. ROCK-IN-9 has good pharmacokinetic properties in mice, and shows high in vivo exposure and oral bioavailability at lower doses .

HY-111187

KX2-361 KX-02	Src Microtubule/Tubulin Apoptosis	Cancer
KX2-361 (KX-02) is a Src-kinase and tubulin polymerization inhibitor. KX2-361 shows good oral bioavailability and readily crosses the BBB in mice. KX2-361 shows anti-tumor activity and induces apoptosis of Glioblastoma (GBM) cell .

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 .

HY-18030A

CEP-28122 mesylate salt	Anaplastic lymphoma kinase (ALK)	Cancer
CEP-28122 mesylate salt, a diaminopyrimidine derivative, is a potent, selective, and orally bioavailable ALK inhibitor, with an IC₅₀ value of 1.9 nM for recombinant ALK kinase activity. CEP-28122 has antitumor activity in experimental models of ALK-positive human cancers. CEP-28122 mesylate salt has good pharmacodynamic and pharmacokinetic activity .

HY-124596

CD161 NKR-P1A	Epigenetic Reader Domain	Cancer
CD161 (NKR-P1A) is a potent, selective and orally bioavailable bromodomain and extra-terminal (BET) bromodomain inhibitor with an IC₅₀s of 28.2 nM and 7.2 nM for BRD4 BD1 and BRD4 BD2, respectively. CD161 has good anticancer activity .

HY-153256

EP3 antagonist 4	Prostaglandin Receptor	Metabolic Disease
EP3 antagonist 4 (Compound 28) is an EP3 antagonist, with a K_i value of 2 nM for hEP. EP3 antagonist 4 shows low in vivo clearance, high oral AUC, and good bioavailability in the rat full PK studies. EP3 antagonist 4 can be used for research of beta cell dysfunction in diabetes .

HY-133747

JAK3-IN-9	JAK	Inflammation/Immunology
JAK3-IN-9 is an orally active JAK3 inhibitor with IC₅₀ value of 1.7 nM. JAK3-IN-9 is highly selective to the JAK3 signal path. JAK3-IN-9 is lowly toxic with high oral bioavailability, shows good anti-arthritis activity. JAK3-IN-9 can be used in autoimmune disease research .

HY-122559

BMS-984923	mGluR	Neurological Disease
BMS-984923, a potent mGluR5 silent allosteric modulator (SAM), with exquisite binding affinity (K_i = 0.6 nM), exhibits good oral bioavailability and BBB penetration. BMS-984923 potently inhibits the PrPC-mGluR5 interaction and prevents pathological Aβo signaling without affecting physiological glutamate signaling .

HY-136026

Camlipixant BLU-5937	P2X Receptor	Inflammation/Immunology
Camlipixant (BLU-5937) a potent, selective, non-competitive and orally active P2X3 homotrimeric receptor antagonist with an IC₅₀ of 25 nM against hP2X3 homotrimeric. Camlipixant shows potent anti-tussive effect and no taste alteration. Camlipixant can be used for the research of unexplained, refractory chronic cough .

HY-161821

Antitumor agent-173	Others	Cancer
Antitumor agent-173 (Compound 4b) is a prodrug of Cycloicaritin (HY-N1940). Antitumor agent-173 is a substrate for OATP2B1. Antitumor agent-173 selectively inhibits the growth of tumor Antitumor agent-173 significantly increases the oral bioavailability of Cycloicaritin and exerts good antitumor activity and safety .

HY-168035

W4275	Histone Methyltransferase	Cancer
W4275 (Compound 42) is a selective NSD2 inhibitor with oral activity, showing an IC₅₀ value of 17 nM. W4275 exhibits antiproliferative activity with an IC₅₀ of 230 nM against RS411 cells and significantly inhibits tumor growth in the RS411 tumor xenograft model. Pharmacokinetic analysis in mice demonstrates that W4275 has good oral bioavailability (F of 27.34%). W4275 holds promise for use in cancer research .

HY-16622B

GSK 1842799 hydrochloride	Others	Endocrinology
GSK 1842799 hydrochloride is a selective S1P1 receptor agonist with potent agonist activity and exceptional selectivity over S1P3. GSK 1842799 hydrochloride demonstrates good oral bioavailability and rapid conversion to its active phosphorylated form. GSK 1842799 hydrochloride significantly reduces blood lymphocyte counts in vivo following oral administration. GSK 1842799 hydrochloride has shown efficacy comparable to FTY720 in the mouse EAE model of multiple sclerosis.

HY-118374

AM-9635	PI3K Akt	Inflammation/Immunology
AM-9635 is a selective PI3Kδ inhibitor with oral bioavailability, good in vitro and in vivo activity and pharmacodynamic properties. AM-9635 inhibits PI3Kδ-dependent B cell receptor-mediated AKT phosphorylation and suppresses the production of specific IgG and IgM antibodies in rats immunized with Aplysia leocyanin (KLH).

HY-12284

NVP-QAV680		Inflammation/Immunology
NVP-QAV680 is a potent and selective CRTh2 receptor antagonist with low nanomolar (nM) functional potency to inhibit CRTh2-driven activation of human eosinophils and Th2 lymphocytes. NVP-QAV680 exhibits good oral bioavailability and demonstrates efficacy in CRTh2-dependent mechanisms and allergic disease models in rats .

HY-163468

SRC-3-IN-1	Src	Cancer
SRC-3-IN-1 (compound SI-10) is a steroid receptor coactivator 3 (SRC-3) inhibitor (IC₅₀=3.3 μM). SRC-3-IN-1 has good water solubility, oral bioavailability, and improved selectivity profile. SRC-3-IN-1 can be used in prostate cancer research .

HY-158991

I1421	CFTR	Inflammation/Immunology
I1421 is an activator of the cystic fibrosis transmembrane conductance regulator (CFTR) with an EC50 of 64 nM for WT CFTR currents. I1421 also allosterically activates multiple mutants causing cystic fibrosis (CF) with good in vivo potency, with an oral bioavailability of 60% in mice corresponding to a half-life of 75 min. I1421 synergizes with Elexacaftor (HY-111772) to enhance CFTR currents .

HY-142160

GNE-9815	Raf	Cancer
GNE-9815 (compound 7) is a highly selective, pan-RAF inhibitor with good oral bioavailability. GNE-9815 exhibits K_i values of 0.062 and 0.19 nM for CRAF and BRAF, respectively. GNE-9815 combines with MEK inhibitor Cobimetinib (HY-13064) shows synergistic modulation of MAPK pathway. GNE-9815 can be used in studies of KRAS mutant cancers .

HY-157442

GLPG3312	Salt-inducible Kinase (SIK)	Inflammation/Immunology
GLPG3312 (Compound 28) is a selective pan-SIK inhibitor with IC₅₀ values of 2.0 nM, 0.7 nM and 0.6 nM for SIK1, SIK2 and SIK3, respectively. GLPG3312 exhibits anti-inflammatory and immunomodulatory activity in vitro on human primary myeloid cells and in vivo in mouse models. GLPG3312 has good oral bioavailability and can be used for research on inflammatory and immune diseases .

HY-146388

Mtb ATP synthase-IN-1	Bacterial ATP Synthase	Infection
Mtb ATP synthase-IN-1 (compound 6ab) is a potent Mycobacterium tuberculosis (Mtb) ATP synthase inhibitor, with MIC of 0.452-0.499 μg/mL against Mtb. Mtb ATP synthase-IN-1 has good metabolic stability, low cytotoxicity (Vero IC₅₀ > 64 μg/mL), and acceptable oral bioavailability. Mtb ATP synthase-IN-1 can be used for researching anti-mycobacterium .

HY-143880

MRGPRX1 agonist 4	Mas-related G-protein-coupled Receptor (MRGPR)	Neurological Disease
MRGPRX1 agonist 4 (compound 1t) is a potent and orally active Mas-related G protein-coupled receptor X1 (MRGPRX1) positive allosteric modulator with an EC₅₀ value of 0.1 μM. MRGPRX1 agonist 4 has good metabolic stability and oral bioavailability. MRGPRX1 agonist 4 can reduce behavioral heat hypersensitivity in a neuropathic pain model humanized MRGPRX1 mice. MRGPRX1 agonist 4 can be used for researching neuropathic pain .

HY-120124

Samelisant SUVN-G3031	Histamine Receptor	Neurological Disease
Samelisant (SUVN-G3031) is a potent and selective histamine H3 receptor (H3R) inverse agonist with good brain penetration and oral bioavailability. Samelisant has a similar binding affinity towards human (hH3R; K_i=8.7 nM) and rat (rH3R;K_i=9.8 nM) H3R indicating no inter-species differences. Samelisant can be used for the research of sleep-related disorders .

HY-162583

PDE4-IN-17	Phosphodiesterase (PDE)	Inflammation/Immunology
PDE4-IN-17 (compound 4e) is a potent PDE4 inhibitor. PDE4-IN-17 inhibits PDE4B and PDE4D with IC₅₀s of 10.0 and 15.2 nM, respectively. PDE4-IN-17 has good oral bioavailability (F=66%) and longer half-life (t_1/2=2.0 h) in SD rats .

HY-159108

AZ683	c-Fms	Cardiovascular Disease
AZ683 is a potent and selective 3-amido-4-anilinoquinoline CSF1R inhibitor. AZ683 has high affinity for CSF1R (K_i=8 nM; IC₅₀=6 nM). AZ683 has good oral bioavailability. [ ¹¹C]AZ683 can be used as a positron emission tomography (PET) radiotracer for colony stimulating factor 1 receptor (CSF1R) .

HY-N2345

Procyanidin B3	Histone Acetyltransferase Toll-like Receptor (TLR) Androgen Receptor	Inflammation/Immunology Cancer
Procyanidin B3 is a natural product with antioxidant activity and oral bioavailability, possessing good blood-brain barrier penetration. Procyanidin B3 is a selective inhibitor of histone acetyltransferase (HAT). By inhibiting p300 HAT-mediated acetylation of the androgen receptor (androgen receptor). Procyanidin B3 alleviates intervertebral disc degeneration (IVDD) by inhibiting the formation of the TLR4/MD-2 complex. Procyanidin B3 can be used in research on prostate cancer and arthritis .

HY-122608

Samelisant free base SUVN-G3031 free base	Histamine Receptor	Neurological Disease
Samelisant (SUVN-G3031) free base is a potent and selective histamine H3 receptor (H3R) inverse agonist with good brain penetration and oral bioavailability. Samelisant free base has a similar binding affinity towards human (hH3R; K_i=8.7 nM) and rat (rH3R;K_i=9.8 nM) H3R indicating no inter-species differences. Samelisant free base can be used for the research of sleep-related disorders .

HY-148825

NP10679	iGluR Histamine Receptor Potassium Channel Cytochrome P450 Adrenergic Receptor	Metabolic Disease Inflammation/Immunology Cancer
NP10679 is a selective, pH dependent GluN2B subunit-specific N-methyl-D-aspartate (NMDA) receptor inhibitor with high oral bioavailability and good brain penetration. NP10679 inhibits GluN2B with IC₅₀s of 23 and 142 nM at pH 6.9 and 7.6, respectively. NP10679 is a histamine H1 antagonist and a hERG channel inhibitor with IC₅₀s of 73 and 620 nM, respectively. NP10679 is a reversible inhibitor of human liver CYP enzymes .

HY-15007

L 366509	Oxytocin Receptor	Endocrinology
L 366509 is a spiroindenylpiperidine camphorsulfonamide oxytocin (OT) antagonist. Modifications led to a new series of o-tolylpiperazine (TP) camphorsulfonamides, exhibiting high affinity for OT receptors and selectivity over arginine vasopressin receptors. Notably, compound 7 (L-368,899) showed excellent OT receptor affinity, potency in inhibiting OT-stimulated uterine contractions, good aqueous solubility, and oral bioavailability in multiple species. Compound 7 has entered clinical testing as an oral and intravenous tocolytic agent. Molecular modeling suggests the TP camphorsulfonamide structure mimics the D-AA2-Ile3 dipeptide, crucial in potent OT antagonists .

HY-144122

HIV-1 inhibitor-15	HIV	Infection
HIV-1 inhibitor-15 (compound 9d) is a highly potent and broad-spectrum HIV-1 inhibitor. HIV-1 inhibitor-15 has inhibitory activity against HIV-1 WT, L100I, K103N, Y181C, E138K with EC₅₀s of 1.7 nM, 4 nM, 2 nM, 6 nM and 9 nM, respectively. HIV-1 inhibitor-15 has good solubility, safety profiles and favorable oral bioavailability .

HY-118285

Ro4491533	mGluR	Neurological Disease
Ro4491533 is a selective, negative allosteric mGluR2/3 receptor modulator that is equally effective on both subtypes. Ro4491533 can completely block glutamate-induced calcium mobilization and glutamate-induced [35S]GTPγS binding accumulation. Ro4491533 has good pharmacokinetic properties in mice and rats, high oral bioavailability, and can pass through the blood-brain barrier. Ro4491533 can also reverse the motor inhibition effect of LY379268 in mice and show antidepressant activity in the forced swim test and tail suspension test.

HY-112142A

(Rac)-AB-423 DVR-23	Others	Inflammation/Immunology
(Rac)-AB-423 (DVR-23) is an anti-HBV candidate compound with promising anti-HBV activity. (Rac)-AB-423 showed no induction of CYP1A2, CYP3A4, or CYP2B6 enzyme activity at high concentrations. (Rac)-AB-423 exhibited desirable pharmacokinetic properties, enabling good systemic exposure and high oral bioavailability. (Rac)-AB-423 achieved more than 2 log viral load reduction in the hydrodynamic injection (HDI) HBV mouse model .

HY-138563

GSK973	Epigenetic Reader Domain	Cancer
GSK973 is a highly selective, orally bioavailable inhibitor of the BD2s (second bromodomains) of the BET family, with a pIC₅₀ of 7.8 and a pK_d of 8.7 for BRD4 BD2. GSK973 displays a 1600-fold selectivity for BRD4 BD2 over BRD4 BD1. GSK973 shows good potency against BRD2 BD2, BRD3 BD2, and BRDT BD2 (pIC₅₀=7.4~7.8; pK_d=8.3~8.5) .

HY-122058

KRH-3955	Others	Infection
KRH-3955 is a CXCR4 antagonist with good bioavailability and potent anti-HIV-1 activity. KRH-3955 can effectively inhibit the replication of X4 HIV-1, including clinical isolates from different donors. KRH-3955 also shows activity against recombinant X4 HIV-1 containing reverse transcriptase, protease and tyrosinase resistance mutations. KRH-3955 can inhibit the binding of SDF-1alpha to CXCR4 and calcium ion signaling through this receptor. KRH-3955 inhibits the binding of an antibody against CXCR4 to CXCR4, showing a potent antagonistic effect on CXCR4. KRH-3955 shows an oral bioavailability of 25.6% in rats and can inhibit the replication of X4 HIV-1 in vivo .

HY-14362

GSK-25	ROCK Ribosomal S6 Kinase (RSK)	Cardiovascular Disease
GSK-25 is a potent, selective and orally bioavailable ROCK1 inhibitor (IC₅₀=7 nM). GSK-25 maintains good selectivity against a panel of 31 kinases (>100 fold), as well as RSK1 and p70S6K (RSK1: IC₅₀=398 nM, p70S6K: IC₅₀=1 μM). GSK-25 inhibits P450 profile (IC₅₀s of 2.5, 5.2, 2.5 µM for CYP2C9, CYP2D6, CYP3A4, respectively) .

HY-N2345R

Procyanidin B3 (Standard)	Histone Acetyltransferase Toll-like Receptor (TLR) Androgen Receptor	Inflammation/Immunology Cancer
Procyanidin B3 (Standard) is the analytical standard of Procyanidin B3. This product is intended for research and analytical applications. Procyanidin B3 is a natural product with antioxidant activity and oral bioavailability, possessing good blood-brain barrier penetration. Procyanidin B3 is a selective inhibitor of histone acetyltransferase (HAT). By inhibiting p300 HAT-mediated acetylation of the androgen receptor (androgen receptor). Procyanidin B3 alleviates intervertebral disc degeneration (IVDD) by inhibiting the formation of the TLR4/MD-2 complex. Procyanidin B3 can be used in research on prostate cancer and arthritis .

HY-13590

CEP-7055	Others	Cancer
CEP-7055 (compound 21) is a novel vascular endothelial growth factor R2 (VEGF-R2) tyrosine kinase inhibitor with potent inhibitory activity. Studies have found that the inhibitor activity can be significantly improved by optimizing the R9 substituent. Compound 21 has potent low nanomolar inhibition of human VEGF-R tyrosine kinase and shows good selectivity against multiple tyrosine and serine/threonine kinases. N,N-dimethylglycine ester 40 was prepared to improve its water solubility and oral bioavailability. In animal pharmacokinetic studies, a significant increase in the plasma level of 21 was observed after oral administration of 40. Compound 21 showed significant in vivo antitumor activity in multiple tumor models and has entered phase I clinical trials as a water-soluble N,N-dimethylglycine ester proagent of 40 (CEP-7055).

HY-16622A

GSK 1842799 TFA	LPL Receptor	Others
GSK1842799, an alkyl-substituted biaryl amino alcohol, is a selective S1P1 modulator developed for multiple sclerosis (MS). Upon phosphorylation, GSK1842799-P exhibited subnanomolar S1P1 agonist activity with over 1000-fold selectivity over S1P3. The compound showed good oral bioavailability, rapid in vivo conversion to GSK1842799-P, and significant lymphocyte count reduction at 0.1 mg/kg. It matched FTY720 efficacy at 3 mg/kg in the mouse EAE model and achieved comparable plasma levels to FTY-720 phosphate in cynomolgus monkeys. With favorable ADME, PK/PD properties, and toxicology, GSK1842799 advanced to further clinical development .

HY-151260

AChE/BACE1/GSK3β-IN-1	Beta-secretase Cholinesterase (ChE) GSK-3	Neurological Disease
AChE/BACE1/GSK3β-IN-1 is an orally active triple inhibitor of AChE/BACE1/GSK3β. AChE/BACE1/GSK3β-IN-1 has effective inhibitory activity against AChE, BACE1 and GSK3β with IC₅₀ values of 1.0 μM, 20 μM and 15 μM, respectively. AChE/BACE1/GSK3β-IN-1 has good blood-brain barrier penetrability, suitable bioavailability. AChE/BACE1/GSK3β-IN-1 can be used for the research of Alzheimer's disease (AD) .

HY-15334

CEP-5214	VEGFR	Cancer
CEP-5214, derived from a new indenopyrrolocarbazole template, is a potent inhibitor of vascular endothelial growth factor R2 (VEGF-R2) tyrosine kinase. Structurally, it features optimal substitutions at positions 9 (ethoxymethyl) and 12 (hydroxypropyl) on the indeno[2,1-a]pyrrolo[3,4-c]carbazole-5-one scaffold, leading to high potency against VEGF-R2 (IC₅₀ 8 nM). Compound 21 (CEP-5214) exhibits low-nanomolar inhibition of human VEGF-R tyrosine kinases (IC₅₀ 4 nM for VEGF-R2/KDR), with good selectivity over other kinases. The compound demonstrated significant cellular and in vivo antitumor activity across various models and advanced into phase I clinical trials as a water-soluble prodrug (CEP-7055) to enhance oral bioavailability .

Cat. No.	Product Name

HY-L902

5K Scaffold Library

5,000 compounds

MCE 5K Scaffold Library consists of 5,000 lead-like compounds. Each compound represents one unique scaffold. All compounds are compatible with Lipinski’s rule (Rule of 5) with multiple characteristics such as calculated good solubility (-3.2 < logP < 5), oral bioavailability (RotB <= 10), drug transportability (PSA < 120). Compounds contained within the library have been screened to remove any inappropriate chemical structures, avoiding “false hits”. The sufficient diverse of compound structure makes this library a powerful tool for drug screening.

HY-L901

50K Diversity Library

50,000 compounds

MCE 50K Diversity Library consists of 50,000 lead-like compounds with multiple characteristics such as calculated good solubility (-3.2 < logP < 5), oral bioavailability (RotB <= 10), drug transportability (PSA < 120). These compounds were selected by dissimilarity search with an average Tanimoto Coefficient of 0.52. There are 36,857 unique scaffolds and each scaffold 1 to 7 compounds. What’s more, compounds with the same scaffold have as many functional groups as possible, which make abundant chemical spaces. This exceptionally diverse library is highly recommended for random screening against new as well as popular targets based its novel, diverse scaffolds, abundant chemical spaces and the convenience for subsequent modification.

HY-L908

Lead-like Covalent Screening Library

500 compounds

Small molecule covalent inhibitors, or irreversible inhibitors, are a type of inhibitors that exert their biological functions by irreversibly binding to target through covalent bonds. Compared with non-covalent inhibitors, covalent inhibitors have obvious advantages in bioactivity, such that covalent warheads can target rare residues of a particular target protein, thus leading to the development of highly selective inhibitors and achieving a more complete and continued target occupancy in living systems. In recent years, the distinct strengths of covalent inhibitors in overcoming drug resistance had been recognized. However, toxicity can be a real challenge related to this class of therapeutics due to their potential for off-target reactivity and has led to these drugs being disfavored as a drug class. The drug design and optimization of covalent inhibitors has become a hot spot in drug discovery.

MCE Lead-like Covalent Screening Library offers a valuable resource of 500 lead-like compounds with commonly used covalent warheads. These warheads, such as acrylamide, activated terminal alkyne, acyloxymethyl ketone, and boronic acid, are capable of reacting with specific amino acid residues, including cysteine, lysine, serine, and histidine. The inclusion of these reactive warheads in the library allows researchers to explore the potential of covalent inhibition, a powerful approach in drug discovery.

HY-L906

Norepinephrine Transporter (NET) Compound Library

650 compounds

On May 15, 2024, "Dimerization and antidepressant recognition at noradrenaline transporter" was published online by Nature. The research findings were an effort from Shanghai Institute of Materia Medica, Chinese Academy of Sciences. This study unraveled the important neural system target - the noradrenaline transporter (NET), obtaining the binding modes of human NET homodimers with the natural substrate norepinephrine (NE) and six selective antidepressants. It laid an important theoretical foundation for understanding the physiological regulation mechanisms of NET and other monoamine transporters.

The Norepinephrine Transporter (NET) Compound Library is obtained by computer-aided virtual screening based on the HY-L901 compound library . The specific screening process includes molecular docking screening, key pharmacophore screening, and CNS-MPO screening, which can be used for new drug discovery targeting the noradrenaline transporter.

HY-L0121V

MCE 10K Natural Product-like Compound Library

10,000 compounds

Natural products are an attractive source with varied structures that exhibit potent biological activities, and desirable pharmacological profiles. The core scaffold of a natural product can also provide a biologically validated framework upon which to display diverse functional groups. Inspired by bioactive natural products, natural product-like compounds, occupying the same chemical space, are ideally suited to explore and to facilitate understanding of biological pathways.

MCE 10K Natural Product-like Compound Library consists of 10,000 natural product-like compounds. Each compound has scaffold of natural products or Tanimoto coefficient >0.6 with natural products. The natural-likeness scoring of these compounds is >-2. What’s more, compounds in the library are drug-like and readily available for re-supply, making it a powerful tool for new drug research and development. It can be widely applied in high-throughput screening (HTS) and high-content screening (HCS).

HY-L905

Natural Product-like Compound Library

5,000 compounds

MCE 5K Natural Product-like Compound Library consists of 5,000 natural product-like compounds. Each compound has scaffold of natural products or Tanimoto coefficient >0.6 with natural products. The natural-likeness scoring of these compounds is >-2. What’s more, compounds in the library are drug-like and readily available for re-supply, making it a powerful tool for new drug research and development. It can be widely applied in high-throughput screening (HTS) and high-content screening (HCS).

Cat. No.	Product Name	Category	Target	Chemical Structure