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39

抑制剂 & 化合物

7

天然产物

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Cat. No.	Product Name	Target	Signaling Pathways
T3971	CASIN Pirl1-related Compound 2	CDK; STAT; Ras	Cell Cycle/Checkpoint; GPCR/G Protein; JAK/STAT signaling; MAPK; Stem Cells
	CASIN (Pirl1-related Compound 2) 是选择性GTPase Cdc42抑制剂，IC50值是 2 uM。
T8702	SKF-83566	Dopamine Receptor; 5-HT Receptor; AChR	GPCR/G Protein; Neuroscience
	SKF-83566 是一种具有血脑渗透性和口服活性的 D1 样多巴胺受体拮抗剂和一种较弱的竞争性 5-HT2 受体拮抗剂，Ki 为 11 nM。它是竞争性多巴胺转运蛋白抑制剂，可用于研究帕金森氏症和对尼古丁渴望的缓解的相关研究。
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。
T4269	Buparvaquone 布帕伐醌,Butalex,BW 720C	Antibiotic; Parasite	Microbiology/Virology
	Buparvaquone (BW 720C) 是与parvaquone 和atovaquone 有关的一种羟基萘醌类抗原虫药。
T76864	Enapotamab	TAM Receptor	Tyrosine Kinase/Adaptors
	Enapotamab 是一种 AXL/UFO 相关抗体，可用于合成抗体-药物偶联物（Enapotamab Vedotin）。
T1734	Rabeprazole Sulfide 雷贝拉唑相关物质E,Rabeprazole Related Compound E	Proton pump; Antibacterial	Membrane transporter/Ion channel; Microbiology/Virology
	Rabeprazole Sulfide (Rabeprazole Related Compound E) 是 Rabeprazole 的活性代谢产物。Rabeprazole 是一种质子泵抑制剂类的抗溃疡药物，有效抑制幽门螺旋杆菌的活性，可通过与胃壁细胞中的(H+/K+)-ATPase 相互作用来抑制胃酸分泌，可研究各种消化系统疾病。
T4688	Pipequaline hydrochloride PK-8165 hydrochloride,盐酸哌夸林	GABA Receptor	Membrane transporter/Ion channel; Neuroscience
	Pipequaline hydrochloride (PK-8165 hydrochloride) 是一种苯二氮卓受体部分激动剂，有抗焦虑作用。
T0183	Pramiracetam CI-879,普拉西坦	Others	Others
	Pramiracetam (CI-879) 来源于piracetam，能改善脑外伤引起的认知障碍。它是更有效的促智药物。
T1623	Lopinavir ABT-378,洛匹那韦	SARS-CoV; HIV Protease	Microbiology/Virology; Proteases/Proteasome
	Lopinavir (ABT-378) 是一种选择性肽模拟 HIV-1 蛋白酶的高效抑制剂。它通过阻止 HIV-1 的成熟而起作用，从而阻断其感染性。它也是 SARS-CoV 3CLpro 的抑制剂。
T21629	Loxapine	Dopamine Receptor; 5-HT Receptor	GPCR/G Protein; Neuroscience
	Loxapine 是 D2DR 和 D4DR 抑制剂和5-羟色胺能受体拮抗剂，是一种抗精神病药物，主要用于治疗精神分裂症。
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。
T0910	Terpin hydrate Terpin Monohydrate,cis-Terpin hydrate,萜品(水合结晶)	Others	Others
	Terpin hydrate 是一种祛痰药，可除去急慢性支气管炎病人的黏液。
T24958	(R)-Licarbazepine Acetate BIA2-059,Licarbazepine acetate, (R)-,BIA 2-059,BIA-2-059
	(R)-Licarbazepine Acetate is a hopeful antiepileptic drug structurally related to Carbamazepine and Oxcarbazepine.
T27171	Diethylhomospermine DEHOP,BE-4-4-4,DEHSPM,DE-444
	Diethylhomospermine is a drug potentially for the treatment of AIDS-related chronic diarrhea.Diethylhomospermine also shows promising anticancer activity.
T69814	Neramexane Free Base
	Neramexane Free Base is a drug related to memantine, which acts as an NMDA antagonist and has neuroprotective effects. It is being developed for various possible applications, including treatment of tinnitus, Alzheimer's disease, drug addiction and as an analgesic.
T31454	Difenamizole Difenamizolum,BRN 0698538,Diphenamizole,Pasalin
	Difenamizole is a nonsteroidal anti-inflammatory drug (NSAID), which is a pyrazolinone analgesic drug-related to Analgin. It has monoaminergic properties, including inhibition of monoamine oxidase, an increase of pargyline-induced striatal dopamine levels
T33978	Phenindamine Tartrate Pernovine,Thephorin,Nolahist,Phenindamine,Plegine
	Phenindamine Tartrate is an antihistamine and anticholinergic drug closely related to cyproheptadine. It is used to treat symptoms of the common cold and allergies, such as sneezing, itching, rashes, and hives.
T70607	Cymserine
	Cymserine is a drug related to physostigmine, which acts as a reversible cholinesterase inhibitor, with moderate selectivity for the plasma cholinesterase enzyme butyrylcholinesterase, and relatively weaker inhibition of the better-known acetylcholinesterase enzyme.
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.
T4655	Pipequaline PK-8165,哌夸林	GABA Receptor	Membrane transporter/Ion channel; Neuroscience
	Pipequaline (PK-8165) 是一种苯二氮卓受体部分激动剂，有抗焦虑作用。
T69941	CMX-521
	CMX521 is an antiviral drug candidate, which was developed for the treatment of norovirus, though it also shows efficacy against related viral diarrheas such as rotovirus and some sapoviruses, astroviruses and adenoviruses. It is a nucleoside analogue which acts as an inhibitor of viral RNA-dependant RNA polymerase.
T60441	DK3
	DK3 是雌激素相关受体 α(ERRα)的一种有效的选择性激动剂，ERRα是癌症和代谢性疾病的潜在药物靶点[1]。
T77835	Glucocorticoid receptor agonist-1 phosphate Gly-Glu-Br
	Glucocorticoid receptor agonist-1 phosphate Gly-Glu-Br 为ADC linker，适用于ABBV-154、ABBV-927及ABBV-368或相似化合物的合成。
T25717	L-Ibotenic acid Ibotenic acid, L-
	L-Ibotenic acid is a chemical compound and psychoactive drug which occurs naturally in Amanita muscaria and related species of mushrooms typically found in the temperate and boreal regions of the northern hemisphere. It is a conformationally-restricted an
T69991	Difenamizole HCl
	Difenamizole HCl is the salt form of Difenamizole, a non-steroidal anti-inflammatory drug (NSAID) and analgesic of the pyrazolone group related to metamizole. It has monoaminergic properties, including inhibition of monoamine oxidase, augmentation of pargyline-induced elevation of striatal dopamine levels, inhibition of K+-induced striatal dopamine release, and inhibition of the reuptake of dopamine.
T77907	Tusamitamab ravtansine HuMAb2-3-SPDB-DM4,SAR-408701
	Tusamitamab ravtansine (SAR-408701) 是一款针对CEACAM5的人源化单克隆抗体与DM4细胞毒性药物经活性分子连接而成的抗体-药物偶联物(ADC)，专门靶向CEACAM5表达的肿瘤细胞。
T71113	Minnelide free acid
	Minnelide is an effective therapy against pancreatic cancer. Minnelide Inhibits Androgen Dependent, Castration Resistant Prostate Cancer Growth by Decreasing Expression of Androgen Receptor Full Length and Splice Variants. Minnelide reduced tumor volume in multiple models of pancreatic cancer. Minnelide was a more effective drug against pancreatic cancer models. It effectively reduced tumor burden and tumor related morbidity in different unique but complementary mouse models. It reduced metastat...
T71787	Deserpidine hydrochloride
	Deserpidine hydrochloride is the salf form of Deserpidine (free base), which is an antihypertensive drug related to reserpine which occurs naturally in Rauwolfia canescens. Deserpidine is a competitive inhibitor of the angiotensin converting enzyme (ACE). By competing with angiotensin I for ACE, deserpidine blocks the conversion of angiotensin I to angiotensin II, which is a potent vasoconstrictor. Reduced level of serum angiotensin II causes a decrease in blood pressure. Deserpidine also decrea...
T69578	D-Ibotenic Acid
	D-Ibotenic Acid is a chemical compound and psychoactive drug which occurs naturally in Amanita muscaria and related species of mushrooms typically found in the temperate and boreal regions of the northern hemisphere. It is a conformationally-restricted analogue of the neurotransmitter glutamate, and due to its structural similarity to this neurotransmitter, acts as a non-selective glutamate receptor agonist. Because of this, ibotenic acid can be a powerful neurotoxin, and is employed as a brain-...
T71911	CGP-11130 HCl
	4-Fluorophenibut (developmental code name CGP-11130; also known as β-(4-fluorophenyl)-γ-aminobutyric acid or β-(4-fluorophenyl)-GABA) is a GABAB receptor agonist which was never marketed. It is selective for the GABAB receptor over the GABAA receptor (IC50 = 1.70 μM and > 100 μM, respectively). The drug is a GABA analogue and is closely related to baclofen (β-(4-chlorophenyl)-GABA), tolibut (β-(4-methylphenyl)-GABA), and phenibut (β-phenyl-GABA). It is less potent as a GABAB receptor agonist t...
T71291	EICAR
	EICAR is a drug which acts as an inhibitor of the enzyme IMP dehydrogenase. It is a nucleoside derivative which has both anti-cancer and antiviral effects, and was originally developed for the treatment of leukemia, but was unsuccessful in human clinical trials. It has broad spectrum antiviral effects with activity against vaccinia virus, Semliki forest virus, Junin virus, reovirus, influenza, measles virus and respiratory syncytial virus among others, although it is not active against SARS. T...
T62563	ATR-IN-12
	ATR-IN-12 (Compound 5g) 是一种共济失调毛细血管扩张和 Rad3 相关 (ATR) 激酶的有效抑制剂 (IC50: 0.007 μM)。ATR-IN-12 能够明显降低 ATR 及其下游信号蛋白的磷酸化水平，具有良好的抗肿瘤效果。ATR-IN-12 是一种极有潜力的先导化合物，能够用于后续对 ATR 激酶的药物发现的研究。
T14359	AVX 13616	Others	Others
	AVX 13616 shows the potent in vivo antibacterial activity of Avexa’s lead antibacterial candidate; particularly against drug-resistant Staphylococcus pathogens. IC50 value: 2-4 ug/ml (MICs) Target: antibacterial agent AVX13616 was as active as mupirocin i
T71279	BPR1K653
	BPR1K653 is a potent Aurora kinase inhibitor with potential anticancder activity. BPR1K653 specifically inhibited the activity of Aurora-A and Aurora-B kinase at low nano-molar concentrations in vitro. BPR1K653 was potent in targeting a variety of cancer cell lines regardless of the tissue origin, p53 status, or expression of MDR1. At the cellular level, BPR1K653 induced endo-replication and subsequent apoptosis in both MDR1-negative and MDR1-positive cancer cells. Importantly, it showed potent ...
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...
T6759L	AP-III-a4 hydrochloride (1177827-73-4 free base) ENOblock hydrochloride,AP-III-a4 hydrochloride	Others	Others
	AP-III-a4 hydrochloride (ENOblock hydrochloride) is a novel small molecule which is the first, nonsubstrate analogue that directly binds to enolase and inhibits its activity (IC50=0.576 uM); inhibit cancer cell metastasis in vivo. IC50 value: 0.576 uM [1]
T66029	3,4-Dehydro-L-proline
	The leguminous shrub,Leucaena leucocephala(Leucaena) is wide‐spread in tropical and subtropical agricultural systems and provides a ready source of protein for livestock. However, the presence of mimosine, a non‐protein, amino acid comprising about 12% of the dry matter in growing tips ofLeucaena, is toxic to animals. Mimosine is degraded rapidly in the rumen to produce 3,4‐dihydroxypyridine (3,4‐DHP) and 2,3‐dihydroxypyridine (2,3‐DHP), both of which remain toxic to animals[1]. 3,4-DHP, as a de...
T36648	Tucatinib hemiethanolate
	Tucatinib (Irbinitinib) hemiethanolate is a potent, orally active and selective HER2 inhibitor with an IC50 of 8 nM. Tucatinib hemiethanolate has nanomolar activity against purified HER2 enzyme and is approximately 500-fold selective for HER2 versus EGFR in cell-based assays. Tucatinib selectively inhibits the receptor tyrosine kinase HER2 relative to EGFR[1].Tucatinib blocks proliferation and the phosphorylation of HER2 and its downstream effector, Akt in HER2 overexpressing cell lines. In the ...
T37585	Ensartinib
	Ensartinib (X-396) is a potent and dual ALK/MET inhibitor with IC50s of <0.4 nM and 0.74 nM, respectively. The ability of Ensartinib (X-396) to inhibit the growth of different cancer cell lines harboring ALK fusions or point mutations is tested. Ensartinib is potent in H3122 lung cancer cells harboring EML4-ALK E13;A20 (IC50: 15nM). Ensartinib is also potent in H2228 lung cancer cells harboring EML4-ALK E6a/b; A20 (IC50: 45 nM). Furthermore, X-376 is potent in SUDHL-1 lymphoma cells harboring N...

化合物

Cat.No: T3971

Synonym: Pirl1-related Compound 2

Target: CDK, STAT, Ras

Cat.No: T8702

Target: Dopamine Receptor, 5-HT Receptor, AChR

Abaloparatide TFA

Cat.No: TP1215

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

Target: Others

Cat.No: T4269

Synonym: 布帕伐醌,Butalex,BW 720C

Target: Antibiotic, Parasite

Cat.No: T76864

Target: TAM Receptor

Rabeprazole Sulfide

Cat.No: T1734

Synonym: 雷贝拉唑相关物质E,Rabeprazole Related Compound E

Target: Proton pump, Antibacterial

Pipequaline hydrochloride

Cat.No: T4688

Synonym: PK-8165 hydrochloride,盐酸哌夸林

Target: GABA Receptor

Cat.No: T0183

Synonym: CI-879,普拉西坦

Target: Others

Cat.No: T1623

Synonym: ABT-378,洛匹那韦

Target: SARS-CoV, HIV Protease

Cat.No: T21629

Target: Dopamine Receptor, 5-HT Receptor

Cat.No: T8873

Target: Others, DNA/RNA Synthesis

Cat.No: T0910

Synonym: Terpin Monohydrate,cis-Terpin hydrate,萜品(水合结晶)

Target: Others

(R)-Licarbazepine Acetate

Cat.No: T24958

Synonym: BIA2-059,Licarbazepine acetate, (R)-,BIA 2-059,BIA-2-059

Diethylhomospermine

Cat.No: T27171

Synonym: DEHOP,BE-4-4-4,DEHSPM,DE-444

Neramexane Free Base

Cat.No: T69814

Cat.No: T31454

Synonym: Difenamizolum,BRN 0698538,Diphenamizole,Pasalin

Phenindamine Tartrate

Cat.No: T33978

Synonym: Pernovine,Thephorin,Nolahist,Phenindamine,Plegine

Cat.No: T70607

Cat.No: T69054

Cat.No: T4655

Synonym: PK-8165,哌夸林

Target: GABA Receptor

Cat.No: T69941

Cat.No: T60441

Glucocorticoid receptor agonist-1 phosphate Gly-Glu-Br

Cat.No: T77835

L-Ibotenic acid

Cat.No: T25717

Synonym: Ibotenic acid, L-

Difenamizole HCl

Cat.No: T69991

Tusamitamab ravtansine

Cat.No: T77907

Synonym: HuMAb2-3-SPDB-DM4,SAR-408701

Minnelide free acid

Cat.No: T71113

Deserpidine hydrochloride

Cat.No: T71787

D-Ibotenic Acid

Cat.No: T69578

Cat.No: T71911

Cat.No: T71291

Cat.No: T62563

Cat.No: T14359

Target: Others

Cat.No: T71279

Cisapride tartrate

Cat.No: T70070

AP-III-a4 hydrochloride (1177827-73-4 free base)

Cat.No: T6759L

Synonym: ENOblock hydrochloride,AP-III-a4 hydrochloride

Target: Others

3,4-Dehydro-L-proline

Cat.No: T66029

Tucatinib hemiethanolate

Cat.No: T36648

Cat.No: T37585

Cat. No.	Product Name	Target	Signaling Pathways
T8787	Drotaverine hydrochloride	PDE	Metabolism
	Drotaverine hydrochloride 是磷酸二酯酶 4 (PDE4)的抑制剂，也是 L 型电压依赖钙通道(L-VDCC)的阻滞剂，可阻断3',5'-环腺苷单磷酸的降解。它在体内有抗痉挛效果，但无抗胆碱能的效果。
T3S1471	Cucurbitacin IIA 葫芦素Iia,Dihydrocucurbitacin Q1,Hemslecin A,Curcurbitacin IIA	Apoptosis; Survivin	Apoptosis
	Cucurbitacin IIA (Dihydrocucurbitacin Q1) 是从园果雪胆中分离得到的一种三萜烯，可诱导细胞凋亡和增强自噬，有助于葫芦素IIA 对炎症相关疾病的抗炎活性。它可降低癌细胞中生存素的表达，降低磷酸化组蛋白 H3 的水平，增加裂解的 PARP 的水平。
T6S1315	Oroxylin A 千层纸素A,6-Methoxybaicalein,Baicalein 6-methyl ether	Virus Protease; HIF/HIF Prolyl-Hydroxylase; Autophagy	Autophagy; Chromatin/Epigenetic; Metabolism; Microbiology/Virology
	Oroxylin A (Baicalein 6-methyl ether) 是一种有活性的黄酮，具有较强的抗癌作用。
TN3139	5α-Hydroxycostic acid 5alpha-Hydroxycostic acid	ERK; FAK; Phospholipase; NOS; Akt; Src	Angiogenesis; Cytoskeletal Signaling; Immunology/Inflammation; MAPK; Metabolism; PI3K/Akt/mTOR signaling; Tyrosine Kinase/Adaptors
	5alpha-Hydroxycostic acid possesses anti-angiogenic ability by interfering the VEGF- and Ang2-related pathways, and it may be a good drug candidate.
TN3541	Broussonin E	ERK; p38 MAPK; TNF; JAK; STAT	Angiogenesis; Apoptosis; Chromatin/Epigenetic; JAK/STAT signaling; MAPK; Stem Cells
	Broussonin E could suppress inflammation by modulating macrophages activation state via inhibiting the ERK and p38 MAPK and enhancing JAK2-STAT3 signaling pathway, and can be further developed as a promising drug for the treatment of inflammation-related
TN3779	De-O-methyllasiodiplodin	IL Receptor; TNF; ROS; Antifection	Apoptosis; Immunology/Inflammation; Microbiology/Virology
	De-O-methyllasiodiplodin exhibits radical scavenging, moderate antibacterial, and potential anti-inflammatory effects, it shows moderate suppression effects on induced NO production. De-O-methyllasiodiplodin effectively lowers the blood glucose level in d
T38330	Collinin
	Collinin is a coumarin that has been found in Z. schinifolium and has diverse biological activities.1,2,3,4 It is active against drug-susceptible and -resistant strains of M. tuberculosis (MIC50s = 3.13-6.25 μg/ml).1 Collinin inhibits LPS-induced nitric oxide (NO) production (IC50 = 5.9 μM) and reduces COX-2 protein levels in RAW 264.7 cells.2 It completely inhibits aggregation of isolated rabbit platelets induced by arachidonic acid , collagen, or platelet activating factor (PAF) when used at a...

天然产物

Drotaverine hydrochloride

Cat.No: T8787

Target: PDE

Cucurbitacin IIA

Cat.No: T3S1471

Synonym: 葫芦素Iia,Dihydrocucurbitacin Q1,Hemslecin A,Curcurbitacin IIA

Target: Apoptosis, Survivin

Cat.No: T6S1315

Synonym: 千层纸素A,6-Methoxybaicalein,Baicalein 6-methyl ether

Target: Virus Protease, HIF/HIF Prolyl-Hydroxylase, Autophagy

5α-Hydroxycostic acid

Cat.No: TN3139

Synonym: 5alpha-Hydroxycostic acid

Target: ERK, FAK, Phospholipase, NOS, Akt, Src

Cat.No: TN3541

Target: ERK, p38 MAPK, TNF, JAK, STAT

De-O-methyllasiodiplodin

Cat.No: TN3779

Target: IL Receptor, TNF, ROS, Antifection

Cat.No: T38330

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