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40

抑制剂 & 化合物

2

天然产物

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Cat. No.	Product Name	Target	Signaling Pathways
T2620	G-749 G749	Apoptosis; FLT; c-RET; TAM Receptor; Aurora Kinase	Angiogenesis; Apoptosis; Cell Cycle/Checkpoint; Chromatin/Epigenetic; Tyrosine Kinase/Adaptors
	G-749 是一种新型 FLT3 抑制剂，对 FLT3 野生型和突变体有持续的抑制作用，IC50值分别为 0.4 nM 和 0.6 nM。它可用于急性髓系白血病的耐药研究。
T4697	ABBV-744 ABBV744	Epigenetic Reader Domain; HIV Protease	Chromatin/Epigenetic; Microbiology/Virology; Proteases/Proteasome
	ABBV-744 是一种 BDII 选择性 BET 溴结构域抑制剂，可抑制 BRD2/3/4。它可研究炎症性疾病、癌症和艾滋病。
TP1215	Abaloparatide TFA BA 058 TFA,Abaloparatide TFA (247062-33-5 free base),BIM 44058 TFA	Others	Others
	Abaloparatide TFA (BIM 44058 TFA) 是一种甲状旁腺激素相关蛋白 (PTHrP) 类似物药物，与相关药物特立帕肽一样用于治疗骨质疏松症。
T8395	Nomegestrol acetate	Others; Progesterone Receptor	Others
	Nomegestrol acetate 是一种孕酮受体的完全激动剂，是一种高选择性孕激素。
T9623	RORγt inverse agonist 13	ROR	Metabolism
	RORγt inverse agonist 13 是一种口服有效的RORγt 选择性反向激动剂，IC50为 63.8 nM。
T2641	KRCA-0008 KRCA 0008,KRCA0008	ACK; ALK	Angiogenesis; Tyrosine Kinase/Adaptors
	KRCA-0008 是高效的、选择性的 ALK/Ack1 抑制剂，对ALK 和Ack1的IC50值分别为12nM 和4nM，显示出非hERG 依赖性药物活性。
T0383	Fenspiride hydrochloride Fenspiride HCl,Pneumorel,Fluiden,Decaspiride,盐酸芬司必利	Adrenergic Receptor; PDE; Histamine Receptor	GPCR/G Protein; Immunology/Inflammation; Metabolism; Neuroscience
	Fenspiride hydrochloride (Decaspiride) 是一种口服活性的非甾体抗炎剂，是 H1-组胺受体的拮抗剂，可用于呼吸系统疾病的研究。
T64374	QN523	Autophagy	Autophagy
	QN523是一种具有类药物性质的新型支架，在12个癌症细胞系中显示出强大的体外细胞毒性。QN523在胰腺癌症异种移植模型中显示出显著的体内疗效。自噬是QN523发挥作用的主要机制。
T21673	N-Isopropylnoratropine	Others	Others
	N-Isopropylnoratropine 是一种去甲托品衍生物，是生产异丙托溴铵(ipratropium) 的中间体，异丙托溴铵是一种通过抗胆碱能途径产生的阿托品样支气管扩张药。它用于检查异丙托溴铵的稳定性。
T8873	Bractoppin	Others; DNA/RNA Synthesis	Cell Cycle/Checkpoint; DNA Damage/DNA Repair; Others
	Bractoppin 是一种BRCA1 (t)BRCT domain 识别磷酸肽的选择性抑制剂，IC50为 74 nM。它优先抑制 BRCA1 -tBRCT 依赖的 DNA 损伤。它减少 BRCA1 对 DNA 断裂片段的招募，进而抑制损伤诱导的 G2 期阻滞和重组酶 RAD51 的组装。
T4978	Sarpogrelate hydrochloride 盐酸沙格雷酯,MCI-9042	5-HT Receptor	GPCR/G Protein; Neuroscience
	Sarpogrelate hydrochloride (MCI-9042) 是一种选择性5-HT2R 拮抗剂，可用于研究与血栓形成有关的血管疾病，对 5-HT2A、5-HT2B 和 5-HT2C 受体的pKi 值分别为 8.52、6.57 和 7.43。
T16857	SB269652	Others	Others
	SB269652 is the first drug-like allosteric modulator of the dopamine D2 receptor.
T25151	Bibrocathol Bibrocathin,Bibrocatholum
	Bibrocathol is a well-established antiseptic drug used for the treatment of acute eyelid diseases like blepharitis.
T24886	TIQ-15 TIQ 15,TIQ15
	TIQ-15 is an effective and selective CXCR4 antagonist. It has good drug-like properties.
T29065	UNC9994 UNC-9994,UNC 9994
	UNC9994 is a β-arrestin-biased dopamine D₂ receptor agonist (β-arrestin EC50 = 50 nM; Emax = 97%) with robust in vivo antipsychotic drug-like activities.
T70007	CT-179
	CT-179 is a highly potent and selective small molecule inhibitor of Olig2 with excellent drug-like properties.
T18313	Mc-O-Si(di-iso)-Cl	Others	Others
	Mc-O-Si(di-iso)-Cl is a cleavable ADC linker, commonly employed in the synthesis of antibody-drug conjugates (ADCs) like Gemcitabine-O-Si(di-iso)-O-Mc [1].
T69613	Ar-H047108 free base
	Ar-H047108 free base is an imidazopyridine potassium competitive acid blocker (P-CAB). This drug may be used to treat early stellate cell activation and veno-occlusive-disease (VOD)-like hepatotoxicity.
T69054	Ciclotizolam
	Ciclotizolam is a drug which is a thienotriazolodiazepine derivative. It is a partial agonist for the benzodiazepine site of the GABAA receptor, with similar binding affinity to related compounds like brotizolam, but a low efficacy.
T26763	Belaperidone LU111995,LU-111995,LU 111995
	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
T77884	PB038
	PB038为一种ADC药物，由可降解的PEG linker及毒素分子依喜替康(Exatecan)构成的偶联物。
T81536	PB089
	PB089是一种ADC（抗体药物偶联物），由Exatecan毒素分子与一种可降解的PEG linker偶联而成。
T61092	Xanthine oxidase-IN-5
	Xanthine oxidase-IN-5, a powerful and orally active inhibitor of xanthine oxidase (XO), exhibits an IC50 value of 0.70 μM. It possesses favorable drug-like characteristics, with ligand efficiency (LE) and lipophilic ligand efficiency (LLE) values of 0.33 and 3.41, respectively. Moreover, Xanthine oxidase-IN-5 showcases significant hypouricemic effects in a hyperuricemic rat model [1].
T77845	Ozuriftamab
	Ozuriftamab是一种针对人类IgG1kappa酪氨酸激酶样孤儿受体2 (ROR2) 的裸抗。该化合物主要应用于合成抗体偶联活性分子(ADC)的开发。
T71537	Tofenacin hydrochloride
	Tofenacin hydrochloride is an antidepressant drug with a tricyclic-like structure. It acts as a serotonin-norepinephrine reuptake inhibitor, and based on its close relation to orphenadrine, may also possess anticholinergic and antihistamine properties. Tofenacin is also the major active metabolite of orphenadrine and likely plays a role in its beneficial effects against depressive symptoms seen in Parkinson's disease patients.
T70391	AMG151 HCl
	ARRY-403, also known as AMG-151, is an orally available allosteric glucokinase (GK) activator developed for the treatment of type 2 diabetes mellitus (T2DM). ARRY-403 has many favorable physicochemical characteristics and ADME properties (low potential to cause drug–drug interactions (DDIs). ARRY-403 potently activates human glucokinase (GK) in vitro (EC50 = 79 nM at 5 mM glucose), with an S0.5 = 0.93 mM glucose (ARRY-403 at 5 mM) and Vmax = 134% compared to the no activator control. It possesse...
T3694L	Tebanicline tosylate
	Tebanicline is a potent synthetic nicotinic (non-opioid) analgesic drug. It was developed as a less toxic analogue of the potent poison dart frog-derived compound epibatidine. Like epibatidine, tebanicline showed potent analgesic activity against neuropat
T79803	5-HT2C agonist-3 free base	5-HT Receptor	GPCR/G Protein; Neuroscience
	5-HT2C agonist-3 ((+)-19) free base 是选择性的5-HT2C激动剂，具EC50: 24 nM及Ki: 78 nM值。该化合物展现出抗精神病药物样活性，并能阻断安非他明引起的多动症。
T70487	Tofenacin (free base)
	Tofenacin (free base) is an antidepressant drug with a tricyclic-like structure. It acts as a serotonin-norepinephrine reuptake inhibitor, and based on its close relation to orphenadrine, may also possess anticholinergic and antihistamine properties. Tofenacin is also the major active metabolite of orphenadrine and likely plays a role in its beneficial effects against depressive symptoms seen in Parkinson's disease patients.
T74348	HE-S2	PD-1/PD-L1	Apoptosis; Cell Cycle/Checkpoint; Immunology/Inflammation
	HE-S2是一种具有显著抗肿瘤活性的抗体偶联活性分子，它通过阻断PD-1/PD-L1相互作用并激活Toll样受体7/8 (TLR7/8)信号通路，触发有效的抗肿瘤免疫反应。
T63760	3CPLro-IN-2
	3CPLro-IN-2 是有效的、口服具有活力的 SARS-CoV-2 3CLpro 抑制剂 (IC50: 1.55 μM, Ki: 6.09 μM)。3-糜蛋白酶样半胱氨酸蛋白酶 (3CLpro) 是病毒复制中不可或缺的蛋白质，是有潜力的对抗 COVID-19 的药物靶点。
T70365	JTP-4819
	JTP-4819 is a potent and selective prolyl endopeptidase (PEP) inhibitor with potential for treating Alzheimer's disease. At nanomolar concentration, JTP-4819 inhibited the degradation of substance P, arginine-vasopressin, and thyrotropin-releasing hormone by PEP in supernatants of the rat cerebral cortex and hippocampus. Repeated administration of JTP-4819 reversed the aging-induced decrease in brain substance P-like and thyrotropin-releasing hormone-like immunoreactivity, suggesting that this d...
T61673	Anticancer agent 56
	Anticancer agent 56 (compound 4d) is a powerful anti-cancer compound with favorable drug-like properties. It shows significant anticancer activity against multiple cancer cell lines, with an IC50 value of less than 3 μM. Anticancer agent 56 exerts its effects by causing cell cycle arrest at the G2/M phase and activating the mitochondrial apoptosis pathway. Mechanistically, it induces the accumulation of reactive oxygen species (ROS), upregulates BAX, downregulates Bcl-2, and triggers the activat...
T71490	Gepotidacin hydrochloride
	Gepotidacin hydrochloride, also known as GSK-2140944 hydrochloride, is a potent Type II DNA topoisomerase inhibitor. Gepotidacin hydrochloride is a novel antibacterial drug candidate. Gepotidacin hydrochloride Demonstrates Absence of Fluoroquinolone-Like Arthropathy in Juvenile Rats. Gepotidacin hydrochloride is efficacious in a nonhuman primate model of pneumonic plague. When tested against Gram-negative (n = 333) and Gram-positive (n = 225) anaerobes by agar dilution, Gepotidacin hydrochloride...
T62479	3CPLro-IN-1
	3CPLro-IN-1 (compound A17) 是一种有效的、口服具有活力的 SARS-CoV-2 3CLpro 抑制剂 (IC50: 5.65 μM)。3-糜蛋白酶样半胱氨酸蛋白酶 (3CLpro) 是一种病毒复制中不可或缺的蛋白质，是一种有吸引力的、对抗 COVID-19 的药物靶点。
T61002	hMAO-B-IN-3
	hMAO-B-IN-3 (Compound 15) 是 hMAO-B 的有效抑制剂 (IC50 = 47.4 nM)，它具有良好的类药性和广泛的安全窗口。因此，hMAO-B-IN-3 是先导优化和多靶点定向配体开发的合适候选分子。
T70358	Gepotidacin mesylate dihydrate
	Gepotidacin mesylate dihydrate, also known as GSK-2140944 mesylate dihydrate, is a potent Type II DNA topoisomerase inhibitor. Gepotidacin mesylate dihydrate is a novel antibacterial drug candidate. Gepotidacin mesylate dihydrate Demonstrates Absence of Fluoroquinolone-Like Arthropathy in Juvenile Rats. Gepotidacin mesylate dihydrate is efficacious in a nonhuman primate model of pneumonic plague. When tested against Gram-negative (n = 333) and Gram-positive (n = 225) anaerobes by agar dilution, ...
T35672	SMU127
	SMU127 is an agonist of the toll-like receptor 1/2 (TLR1/2) heterodimer.1It induces NF-κB signaling in cells expressing human TLR2 (EC50= 0.55 μM) but not cells expressing human TLR3, -4, -5, -7, or -8 when used at concentrations ranging from 0.1 to 100 μM. SMU127 induces the production of TNF-α in isolated human peripheral blood mononuclear cells (PBMCs) when used at concentrations ranging from 0.01 to 1 μM.In vivo, SMU127 (0.1 mg/animal) reduces tumor volume in a 4T1 murine mammary carcinoma m...
T82971	ARI-1
	ARI-1是一种针对受体酪氨酸激酶样孤儿受体ROR1的抑制剂，对于ROR1异常表达所致的非小细胞肺癌(NSCLC)及EGFR-TKI诱导的耐药性治疗具有显著效果。该化合物能够特异性结合至ROR1的胞外卷曲结构域，并以ROR1依赖性方式抑制PI3K/AKT/mTOR信号通路，进而有效地阻断NSCLC细胞的增殖和迁移。此外，ARI-1还展现了显著的体内抗肿瘤活性。
T38145	Eltoprazine
	Eltoprazine(DU28853) is a serenic or antiaggressive agent which as an agonist at the 5-HT1A and 5-HT1B receptors and as an antagonist at the 5-HT2C receptor.IC50 value:Target: 5-HT1A/1B agonist; 5-HT2C antagonistin vitro: The binding of [3H]eltoprazine to whole tissue sections was saturable and revealed an apparent dissociation constant (Kd) of 11 nM. Specific [3H]eltoprazine binding was completely displaced by 5-HT; conversely, unlabelled eltoprazine reduced [3H]5-HT binding to the levels of no...

化合物

Cat.No: T2620

Synonym: G749

Target: Apoptosis, FLT, c-RET, TAM Receptor, Aurora Kinase

Cat.No: T4697

Synonym: ABBV744

Target: Epigenetic Reader Domain, HIV Protease

Abaloparatide TFA

Cat.No: TP1215

Synonym: BA 058 TFA,Abaloparatide TFA (247062-33-5 free base),BIM 44058 TFA

Target: Others

Nomegestrol acetate

Cat.No: T8395

Target: Others, Progesterone Receptor

RORγt inverse agonist 13

Cat.No: T9623

Target: ROR

Cat.No: T2641

Synonym: KRCA 0008,KRCA0008

Target: ACK, ALK

Fenspiride hydrochloride

Cat.No: T0383

Synonym: Fenspiride HCl,Pneumorel,Fluiden,Decaspiride,盐酸芬司必利

Target: Adrenergic Receptor, PDE, Histamine Receptor

Cat.No: T64374

Target: Autophagy

N-Isopropylnoratropine

Cat.No: T21673

Target: Others

Cat.No: T8873

Target: Others, DNA/RNA Synthesis

Sarpogrelate hydrochloride

Cat.No: T4978

Synonym: 盐酸沙格雷酯,MCI-9042

Target: 5-HT Receptor

Cat.No: T16857

Target: Others

Cat.No: T25151

Synonym: Bibrocathin,Bibrocatholum

Cat.No: T24886

Synonym: TIQ 15,TIQ15

Cat.No: T29065

Synonym: UNC-9994,UNC 9994

Cat.No: T70007

Mc-O-Si(di-iso)-Cl

Cat.No: T18313

Target: Others

Ar-H047108 free base

Cat.No: T69613

Cat.No: T69054

Cat.No: T26763

Synonym: LU111995,LU-111995,LU 111995

Cat.No: T77884

Cat.No: T81536

Xanthine oxidase-IN-5

Cat.No: T61092

Cat.No: T77845

Tofenacin hydrochloride

Cat.No: T71537

Cat.No: T70391

Tebanicline tosylate

Cat.No: T3694L

5-HT2C agonist-3 free base

Cat.No: T79803

Target: 5-HT Receptor

Tofenacin (free base)

Cat.No: T70487

Cat.No: T74348

Target: PD-1/PD-L1

Cat.No: T63760

Cat.No: T70365

Anticancer agent 56

Cat.No: T61673

Gepotidacin hydrochloride

Cat.No: T71490

Cat.No: T62479

Cat.No: T61002

Gepotidacin mesylate dihydrate

Cat.No: T70358

Cat.No: T35672

Cat.No: T82971

Cat.No: T38145

Cat. No.	Product Name	Target	Signaling Pathways
T2940	6-Hydroxyflavone 6-羟基黄酮,6-HF	GABA Receptor	Membrane transporter/Ion channel; Neuroscience
	6-Hydroxyflavone (6-HF) 是天然存在的黄酮化合物，具有抗炎作用。它对牛血红蛋白糖基化具有抑制作用。它能激活 AKT、ERK 1/2、JNK 信号通路，有效促进成骨细胞分化。它能抑制 LPS 诱导的 NO 的产生。
T2836	Isorhamnetin 3-methylquercetin,3'-Methylquercetin,Isorhamnetol,异鼠李素,3'-Methoxyquercetin	MEK; PI3K; Endogenous Metabolite	MAPK; Metabolism; PI3K/Akt/mTOR signaling
	Isorhamnetin (3-methylquercetin) 是从中草药沙棘中提取的一种类黄酮，可通过抑制MEK1和PI3K 来抑制皮肤癌。

天然产物

6-Hydroxyflavone

Cat.No: T2940

Synonym: 6-羟基黄酮,6-HF

Target: GABA Receptor

Cat.No: T2836

Synonym: 3-methylquercetin,3'-Methylquercetin,Isorhamnetol,异鼠李素,3'-Methoxyquercetin

Target: MEK, PI3K, Endogenous Metabolite

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