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52

抑制剂 & 化合物

6

天然产物

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Cat. No.	Product Name	Target	Signaling Pathways
T0082	Domperidone R33812,多潘立酮	Dopamine Receptor	GPCR/G Protein; Neuroscience
	Domperidone (R33812) 是多巴胺 2 受体拮抗剂，能够影响胃和小肠的化学感受器触发区和运动功能，具有止吐和促动力作用。
T24115	GSK854 GSK-854,GSK 854	Apoptosis	Apoptosis
	GSK854 是一种具有高选择性和有效性的肌钙蛋白 I 相互作用激酶 (TNNI3K) 抑制剂，抑制小鼠心肌梗死损伤细胞焦亡和细胞凋亡，可限制缺血性心脏的氧化应激、损伤和不良重塑。
T0514	Phenindione Rectadione,phenylindandione,苯茚二酮,Phenylindione
	Phenindione (Rectadione) 是一种茚满二酮，已被用作抗凝剂，可作为维生素 K 拮抗剂。它的作用类似于华法林，但由于其严重不良反应的发生率较高，现在很少使用。
T8669	3,3',4,4'-Benzophenonetetracarboxylic dianhydride	Others	Others
	3,3',4,4'-Benzophenonetetracarboxylic dianhydride 是一种化合物，用于生产聚酰亚胺薄膜和粘合剂的聚酰亚胺前体。它是一种无毒材料，对人体健康没有已知的不良影响。
T13730	Hydroxocobalamin acetate	Others	Others
	Hydroxocobalamin acetate 是可注射的天然维生素 B12，其不良反应特征良好，可用于研究维生素 B12 缺乏症 (包括恶性贫血) 。
T1787	Levobupivacaine	Sodium Channel	Membrane transporter/Ion channel
	Levobupivacaine 是一种氨基酰胺类局麻药，属于n-alkylsubstituted pipecoloxylidide 家族。它是bupivacaine 的 S-对映异构体。
T36879	L-Leucyl-L-Leucine methyl ester hydrobromide
	The lysosomotropic dipeptide LLME has selective toxicity for NK cells, CTL, and M phi without adverse effects on a variety of other lymphoid or nonlymphoid cell types. See also E-2080.
T60771	Metamizol
	Metamizol (Methamizole) 阻止甲状腺产生甲状腺激素，是一种抗甲状腺药物。然而，Metamizol 具有肝毒性的副作用。
T32161	Indoxyl sulfate
	Indoxyl sulfate is a metabolite of tryptophan, showing adverse effects on bones and the central nervous system, having been most frequently implicated as a contributor to renal disease progression and vascular disease
T33583	Naldemedine S-297995,S297995,Naldemedine,S 297995,S297,995,S 297,995,S297,995;Naldemedine,S-297,995
	Naldemedine (S 297995) is a peripheral selective μ-opioid receptor antagonist being developed by Shionogi for the treatment of opioid-induced adverse reactions, including constipation, nausea, and vomiting. They are usually well tolerated, mainly with mil
T16377	Odiparcil SB-424323	Thrombin	Proteases/Proteasome
	Odiparcil is an orally active beta-d-thioxyloside analog. Odiparcil is an indirect thrombin inhibitor that exerts its anticoagulant effect through activation of antithrombin II (heparin cofactor II). It also has an antithrombotic activity associated with a reduced risk of adverse bleeding events.
T40932	Benzylacyclouridine 5-Benzylacyclouridine,BAU
	Benzylacyclouridine (BAU) is a powerful and selective inhibitor of uridine phosphorylase, the initial enzyme involved in uridine catabolism. Additionally, it can regulate the cytotoxic adverse effects of 5-fluorouracil (5-FU) and its derivatives.
T62722	SC13
	SC13 是一种新型的 mitragynine 类似物，具有低效Muopioid receptor 激动作用，具有麻醉作用和较轻的不良反应。
T61344	VO-OHPic
	VO-OHPic is a reversible, noncompetitive, and selective inhibitor of PTEN with an IC50 of 46 nM. It effectively attenuates apoptosis, adverse cardiac remodeling, and the presence of pro-inflammatory M1 macrophages in models of doxorubicin-induced cardiomyopathy. Additionally, VO-OHPic inhibits autophagy [1] [2] [3].
T73441	TBI-166
	TBI-166，一种利米吩嗪类似物，是一种具有口服活性的抗结核药物，不良反应比 riminophenazine 化合物 Clofazimine 小。
T69970	AZD5718
	AZD5718 is a potent and selective FLAP inhibitor (IC50 = 2.0 nM) for Treatment of Coronary Artery Disease. AZD5718 demonstrated a dose dependent and greater than 90% suppression of leukotriene production over 24 h. Preclinical toxicology studies in rat and dog did not show any serious adverse events of clinical significance. Currently, AZD5718 is evaluated in a phase 2a study for treatment of coronary artery disease.
T70362	V11294A
	V11294A is a novel PDE4 inhibitor. A single oral 300 mg dose of V11294A administered to healthy volunteers results in plasma concentrations adequate to inhibit activation of inflammatory cells ex vivo, which persists for at least 24 h without any adverse reactions
T68735	Ciclotropium (free base)
	Ciclotropium (free base) is quaternary ammonium compound with anticholinergic and parasympatholytic activity. Oral Cyclotropium bromide inhibited fasting and meal-stimulated colonic motility significantly without causing adverse side effects. After cyclotropium bromide, there was a significant correlation between antral contraction amplitude and gastric emptying.
T14493	Balapiravir R1626,Ro 4588161	Others	Others
	Balapiravir (R1626, Ro 4588161) is the prodrug of a nucleoside analogue inhibitor of the hepatitis C virus (HCV) RNA-dependent RNA polymerase (R1479, RG1479). IC50 Value: Target: HCV Balapiravir was discontinued for safety reasons in 28-36% of patients (m
T78933	BD-9136	Epigenetic Reader Domain	Chromatin/Epigenetic
	BD-9136为一高选择性BRD4降解剂，具备抑制小鼠肿瘤生长的能力，且未对小鼠产生不良影响，适用于肿瘤研究领域。
T69780	VU6007477
	VU6007477 is a novel M1 PAM. VU6007477 resulted in good rat M1 PAM potency (EC50 = 230 nM, 93% ACh max), minimal M1 agonist activity (agonist EC50 > 10 μM), good CNS penetration (rat brain/plasma Kp = 0.28, Kp,uu = 0.32; mouse Kp = 0.16, Kp,uu = 0.18), and no cholinergic adverse events (AEs, e.g., seizures).
T70000	Ebopiprant HCl
	Ebopiprant, also known as OBE-022, is an Oral and Selective Prostaglandin F 2α Receptor Antagonist as an Effective and Safe Modality for the Treatment of Preterm Labor. OBE022 exhibits potent tocolytic effects on human tissues ex vivo and animal models in vivo without causing the adverse fetal side effects seen with indomethacin.
T74364	SDOX	Topoisomerase	DNA Damage/DNA Repair
	SDOX为Doxorubicin的前体药物，通过脂质体递送至肿瘤细胞内，在GSH过量释放条件下，触发DOX释放。该机制在不损害抗癌效果的同时，极大地降低了对正常组织的毒副作用。
T65440	Sodium Thiosulfate Pentahydrate
	Sodium thiosulfate (Pentahydrate) is an antioxidant and antifungal. Sodium thiosulfate protects against cisplatin-induced hearing loss in children and is not associated with serious adverse events attributed to its use[3]. The addition of sodium thiosulfate, administered 6 hours after cisplatin chemotherapy, resulted in a lower incidence of cisplatin-induced hearing loss among children with standard-risk hepatoblastoma, without jeopardizing overall or event-free survival[4]. Calciphylaxis is a p...
T70433	Antalarmin
	Antalarmin is a CRF-1 antagonist. By blocking CRF-1 activity the release of ACTH is reduced, and chronic stress is decreased in response to chronic stress. Antalarmin could be useful in reducing the adverse health consequences of chronic stress in humans, as well as treating anxiety, depression, and drug addiction.
T69119	Disopyramide HCl
	Disopyramide HCl is the salt form of Disopyramide, an antiarrhythmic medication used in the treatment of ventricular tachycardia. It is a sodium channel blocker and therefore classified as a Class 1a anti-arrhythmic agent. Disopyramide has a negative inotropic effect on the ventricular myocardium, significantly decreasing the contractility. Disopyramide also has an anticholinergic effect on the heart which accounts for many adverse side effects. Disopyramide is available in both oral and intrave...
T73091	NBI-921352 XEN901
	NBI-921352 (XEN901) 是一种有效的钠通道抑制剂，专门针对 Nat/1.6通道。NBI-921352 (XEN901) 可有效治疗癫痫引起的神经系统病变，而不会引起严重不良反应。
T62254	TLR9-IN-1
	TLR9-IN-1 是一种选择性的、有效的 TLR9 抑制剂，能够作用于人 TLR9 (IC50: 7 nM)。TLR9-IN-1 能够用于不良免疫应答相关疾病的研究。
T72406	Tofacitinib Prodrug-1
	Tofacitinib Prodrug-1 是减轻托法替尼 (Tofacitinib) 全身性不良反应的口服有效前药。Tofacitinib Prodrug-1 能在小鼠模型有效减轻恶唑酮诱导的结肠炎，具有低毒性，是治疗溃疡性结肠炎的潜在候选药物。
T68324	KCN1
	KCN1, a novel synthetic sulfonamide, is a HIF pathway inhibitor with potential anticancer activity in vitro and in vivo anti-pancreatic cancer activities and preclinical pharmacology. KCN1 specifically inhibited HIF reporter gene activity in several glioma cell lines at the nanomolar level. KCN1 also downregulated transcription of endogenous HIF-1 target genes, such as VEGF, Glut-1, and carbonic anhydrase 9, in a hypoxia-responsive element (HRE)-dependent manner. KCN1 potently inhibited the grow...
T75328	Hydroxocobalamin hydrochloride
	Hydroxocobalamin hydrochloride 是天然维生素B12的可注射形式，因其优良的安全性质，被用于研究维生素B12缺乏症（包括恶性贫血）相关治疗。
T71955	C3001a
	C3001a is a selective activator for TREK, against other two-pore domain K+(K2P) channels. C3001a binds to the cryptic binding site formed by P1 and TM4 in TREK-1. C3001a targets TREK channels in the peripheral nervous system to reduce the excitability of nociceptive neurons. In neuropathic pain, C3001a alleviated spontaneous pain and cold hyperalgesia. In a mouse model of acute pancreatitis, C3001a alleviated mechanical allodynia and inflammation. C3001a represents a lead compound which could a...
T63514	PPARγ agonist 1
	PPARγ agonist 1 是 PPARγ 的有效激动剂，能够高效的激活 hPPARγ ，并不引起完全激动，进而能够避免不良反应。PPARγ agonist 1 对代谢紊乱相关心血管疾病表现出研究潜力。
T61751	DNA-PK-IN-3
	DNA-PK-IN-3 is a highly potent inhibitor of DNA-PK. This compound exerts a synergistic effect when combined with radiotherapy and chemotherapy, resulting in enhanced therapeutic outcomes and significant inhibition of tumor growth. Furthermore, DNA-PK-IN-3 demonstrates remarkable efficacy in reducing damage to normal cells, effectively minimizing adverse side effects. Due to these compelling properties, DNA-PK-IN-3 holds great potential for cancer research applications[1].
T76020	AUNP-12 TFA
	AUNP-12 (NP-12) TFA 是 PD-1信号通路的一种多肽拮抗剂，在抑制淋巴细胞增殖和效应功能方面对 PD-L1和 PD-L2 具有等效的拮抗作用。AUNP-12 TFA 具有免疫激活作用、良好的抗肿瘤活性，具有更好的研究免疫相关不良事件 (irAEs) 的潜力。
T61976	DS-6930
	DS-6930 是一种有效的和选择性的 PPARγ激动剂（EC50= 41 nM）。DS-6930 可有效降低血浆葡萄糖 (PG)水平，此外，与 Rosiglitazone 相比，具有更少的 PPARγ 相关不良反应。DS-6930 在糖尿病中具有研究价值。
T70446	Abivertinib HCl
	Abivertinib, also known as AC0010 and Avitinib, is a third-generation EGFR tyrosine kinase inhibitor and BTK Inhibitor that demonstrated clinical efficacy and manageable adverse events (AEs). Abivertinib inhibits cell proliferation, reduces colony-forming capacity, and induces apoptosis and cell cycle arrest in AML cells, especially those harboring FLT3-ITD mutations. Abivertinib was also found to be more sensitive than ibrutinib in treating AML. Abivertinib may be a promising novel agent for A...
T69129	Clozapine HCl
	Clozapine HCl is a tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a ...
T73255	Akt1-IN-1
	Akt1-IN-1 是一种有效的 Akt1抑制剂，对 MIA Paca-2 细胞的 IC50为 18.79 nM。Akt1-IN-1 不具有明显的致畸性、肝毒性和心脏毒性 (有害作用剂量大于 100 µM)。Akt1-IN-1 可用于抗癌研究。
T64204	NU5455
	NU5455 是一种选择性的、有效的、口服具有活力的 DNA-PKcs 抑制剂。NU5455 能够提高肝肿瘤异种移植物中局部释放的多柔比星的效果，且不引起任何不良反应。NU5455 能够提高肠胃外给药的拓扑异构酶抑制剂的功效和毒性。
T76468	Cecropin A (1-7)-Melittin A (2-9)
	Cecropin A (1-7)-Melittin A (2-9) 为一种具抗菌效能的肽，对广谱革兰氏阳性及革兰氏阴性需氧菌显示出显著的抗菌活性，同时展现出抗疟能力，而无蜂毒肽所致的不良溶血现象。
T68330	Cerlapirdine hydrochloride
	Cerlapirdine, also known as SAM-531, WAY-262,531 and PF-05212365, is a selective, potent, full antagonist of the 5-hydroxytryptamine 6 (5-HT6) receptor. Cerlapirdine has been in clinical development for the treatment of cognitive disorders associated with Alzheimer's disease and schizophrenia. As of 2011, it is in phase II clinical trials, and has demonstrated a trend toward efficacy along with a good side effect profile and no incidence of serious adverse events. It exerts its effects by acti...
T37464	CAY10711
	CAY10711 is a substituted diamine that produces rapid bactericidal activity against both Gram-positive and Gram-negative bacteria, including methicillin-resistant S. aureus (MRSA) and stationary-phase bacteria. It displays MIC99 values of 2.9, 11.5, 2.9, and 2.9 μM against S. aureus RN4220, P. aeruginosa PAO1, E. coli ANS1, and MRSA 10082B, respectively. CAY10711 reduces biofilm formation and promotes biofilm dispersal in P. aeruginosa. It is synergistic with kanamycin and has limited adverse ef...
T71119	Netarsudil free base
	Netarsudil, also known as AR-11324, is a Rho-associated protein kinase inhibitor. Netarsudil is potential useful for treating glaucoma and/or reducing intraocular pressure. Netarsudil Increases Outflow Facility in Human Eyes Through Multiple Mechanisms. Netarsudil inhibited kinases ROCK1 and ROCK2 with a Ki of 1 nM each, disrupted actin stress fibers and focal adhesions in TM cells with IC50s of 79 and 16 nM, respectively, and blocked the profibrotic effects of TGF-β2 in HTM cells. Netarsudi...
T9669	EST73502 hydrochloride
	EST73502 hydrochloride 是一种选择性的，具有口服活性和血脑屏障渗透性的 μ-opioid 受体 (μ-opioid receptor/MOR) 激动剂和 σ1 受体(σ1R) 拮抗剂，对 MOR 和 σ1R 作用的Ki 值分别为 64 nM 和 118 nM。EST73502 hydrochloride 可用于缓解疼痛研究。
T83121	Anatumomab mafenatox ABR-214936
	Anatumomab mafenatox (ABR-214936)是一种73 KDa的重组蛋白，针对广泛表达于恶性肿瘤中的肿瘤相关抗原5T4。该分子构建于修饰后的SEA和小鼠Fab片段之间。Anatumomab mafenatox的主要副作用包括发烧、低血压、疼痛、恶心和嗜睡。
T63545	FAK-IN-3
	FAK-IN-3 是一种有效的粘着斑激酶 (FAK) 抑制剂。FAK-IN-3 能够减少 PA-1 细胞的迁移和侵袭，并抑制 MMP-2 和 MMP-9 的表达。FAK-IN-3 对肿瘤生长和转移具有抑制作用，且没有明显不良反应。FAK-IN-3 对卵巢癌表现出研究潜力。
T80789	WAY-639872
	WAY-639872是一种用于生化反应研究的活性分子。
T81932	LIN28-IN-1
	LIN28-IN-1（compound 5）是针对RNA结合蛋白LIN28的抑制剂，可与LIN28的冷休克结构域（CSD）发生结合。该化合物能有效阻断LIN28与let-7miRNA的交互作用，具有显著的IC50值为5.4 μM，从而抑制LIN28在表观遗传学中的负向调控功能。此外，LIN28-IN-1在IC50为6.4 μM的条件下，显著抑制了过表达LIN28的JAR癌细胞的增殖。
T70070	Cisapride tartrate
	Cisapride tartrate is chemically related to metoclopramide, but unlike metoclopramide, it does not cross the blood-brain barrier or have antidopaminergic effects. Cisapride is a serotonin-4 (5-HT4) receptor agonist. Cisapride was indicated for the symptomatic treatment of adult patients with nocturnal heartburn due to gastroesophageal reflux disease. The Food and Drug Administration (FDA) in America stopped the marketing of cisapride as of 14th July 2000. They had received at least 341 reports o...

化合物

Cat.No: T0082

Synonym: R33812,多潘立酮

Target: Dopamine Receptor

Cat.No: T24115

Synonym: GSK-854,GSK 854

Target: Apoptosis

Cat.No: T0514

Synonym: Rectadione,phenylindandione,苯茚二酮,Phenylindione

3,3',4,4'-Benzophenonetetracarboxylic dianhydride

Cat.No: T8669

Target: Others

Hydroxocobalamin acetate

Cat.No: T13730

Target: Others

Levobupivacaine

Cat.No: T1787

Target: Sodium Channel

L-Leucyl-L-Leucine methyl ester hydrobromide

Cat.No: T36879

Cat.No: T60771

Indoxyl sulfate

Cat.No: T32161

Cat.No: T33583

Synonym: S-297995,S297995,Naldemedine,S 297995,S297,995,S 297,995,S297,995;Naldemedine,S-297,995

Cat.No: T16377

Synonym: SB-424323

Target: Thrombin

Benzylacyclouridine

Cat.No: T40932

Synonym: 5-Benzylacyclouridine,BAU

Cat.No: T62722

Cat.No: T61344

Cat.No: T73441

Cat.No: T69970

Cat.No: T70362

Ciclotropium (free base)

Cat.No: T68735

Cat.No: T14493

Synonym: R1626,Ro 4588161

Target: Others

Cat.No: T78933

Target: Epigenetic Reader Domain

Cat.No: T69780

Cat.No: T70000

Cat.No: T74364

Target: Topoisomerase

Sodium Thiosulfate Pentahydrate

Cat.No: T65440

Cat.No: T70433

Disopyramide HCl

Cat.No: T69119

Cat.No: T73091

Synonym: XEN901

Cat.No: T62254

Tofacitinib Prodrug-1

Cat.No: T72406

Cat.No: T68324

Hydroxocobalamin hydrochloride

Cat.No: T75328

Cat.No: T71955

PPARγ agonist 1

Cat.No: T63514

Cat.No: T61751

Cat.No: T76020

Cat.No: T61976

Abivertinib HCl

Cat.No: T70446

Cat.No: T69129

Cat.No: T73255

Cat.No: T64204

Cecropin A (1-7)-Melittin A (2-9)

Cat.No: T76468

Cerlapirdine hydrochloride

Cat.No: T68330

Cat.No: T37464

Netarsudil free base

Cat.No: T71119

EST73502 hydrochloride

Cat.No: T9669

Anatumomab mafenatox

Cat.No: T83121

Synonym: ABR-214936

Cat.No: T63545

Cat.No: T80789

Cat.No: T81932

Cisapride tartrate

Cat.No: T70070

Cat. No.	Product Name	Target	Signaling Pathways
T4A2456	Gamabufotalin Gamabufagin,日本蟾蜍毒苷元	COX	Immunology/Inflammation; Neuroscience
	Gamabufotalin (Gamabufagin) 是一种蟾蜍甾烯，存在于蟾酥中。它稳定性高，毒性低，被广泛用于癌症的研究。
T6795	Carbidopa 卡比多巴,(S)-(-)-Carbidopa,Lodosyn	Decarboxylase; Aryl Hydrocarbon Receptor	Immunology/Inflammation; Metabolism; Others
	Carbidopa (Lodosyn) 是一种选择性芳香烃受体(AhR)调节剂，是外周型脱羧酶抑制剂，抑制胰腺癌细胞和肿瘤生长，可用于帕金森病的研究。
T0791	Reserpine 利血平,Serpalan,Serpasil,Serpivite	Others; Potassium Channel; MRP; Monoamine Transporter; Autophagy	Autophagy; Immunology/Inflammation; Membrane transporter/Ion channel; Others
	Reserpine (Serpalan) 是一种从催吐萝芙木的根中发现的生物碱。它抑制去甲肾上腺素吸收到储存囊泡中，导致中枢和外周轴突末端的儿茶酚胺和血清素耗尽。它可作为抗高血压药和抗精神病药以及研究工具。
T6S1487	Ginsenoside Rg5 人参皂苷Rg5,人参皂甙 Rg5	NF-κB; COX; IGF-1R	Immunology/Inflammation; Neuroscience; NF-κB; Tyrosine Kinase/Adaptors
	Ginsenoside Rg5 是红参的主要成分，可阻断IGF-1与其受体的结合，IC50约为90 nM。它还通过抑制NF-κB p65的 DNA 结合活性来抑制COX-2的 mRNA 表达。它可促进血管生成和改善高血压，具有抗炎和治疗阿尔茨海默病的潜力。
T75703	3-Oxo-7-hydroxychol-4-enoic acid
	3-Oxo-7-hydroxychol-4-enoic acid 是一种内源性代谢产物，可能作为肝胆疾病预后不良的重要指标。
T78476	Hydroxocobalamin Vitamin B12a	Endogenous Metabolite	Metabolism
	Hydroxocobalamin（Vitamin B12a）为可注射型天然维生素B12，不良反应特性良好，适用于治疗维生素B12缺乏症（包括恶性贫血）的膳食补充。

天然产物

Cat.No: T4A2456

Synonym: Gamabufagin,日本蟾蜍毒苷元

Target: COX

Cat.No: T6795

Synonym: 卡比多巴,(S)-(-)-Carbidopa,Lodosyn

Target: Decarboxylase, Aryl Hydrocarbon Receptor

Cat.No: T0791

Synonym: 利血平,Serpalan,Serpasil,Serpivite

Target: Others, Potassium Channel, MRP, Monoamine Transporter, Autophagy

Ginsenoside Rg5

Cat.No: T6S1487

Synonym: 人参皂苷Rg5,人参皂甙 Rg5

Target: NF-κB, COX, IGF-1R

3-Oxo-7-hydroxychol-4-enoic acid

Cat.No: T75703

Hydroxocobalamin

Cat.No: T78476

Synonym: Vitamin B12a

Target: Endogenous Metabolite

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