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59

抑制剂 & 化合物

3

天然产物

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Cat. No.	Product Name	Target	Signaling Pathways
T8441	Lerisetron	5-HT Receptor	GPCR/G Protein; Neuroscience
	Lerisetron 是5-HT3拮抗剂，与 5-HT3受体具有高亲和力(pKi:9.2)。它对尿烷麻醉大鼠的 5-HT 引发的反射性心率过缓具有抑制作用。
T15712	Laropiprant MK-0524	Prostaglandin Receptor	GPCR/G Protein; Immunology/Inflammation
	Laropiprant (MK-0524) 是 DP receptor 的选择性拮抗剂，Ki 为 0.57 nM，对 TP 受体的 Ki 为 2.95 nM。
T1752	NS6180	Potassium Channel	Membrane transporter/Ion channel
	NS6180是一种高效的KCa3.1离子通道选择性抑制剂，IC50值9nM。NS6180阻止T 细胞活化和炎症反应。
T8405	Vardenafil hydrochloride 伐地那非,盐酸伐地那非	PDE	Metabolism
	Vardenafil hydrochloride 是口服具有活性的、高效的、选择性的磷酸二酯酶 5抑制剂。它对 PDE1 (180 nM)，PDE6 (11 nM)，PDE2，PDE3，PDE4 (>1000 nM) 具有选择性。它能够非竞争性地抑制环磷酸鸟苷水解，提高 cGMP 水平。它可用于勃起功能障碍的研究。
T7121	Sulfaclozine 磺胺氯吡嗪,Sulfachloropyrazine,Sulfachloropyrazine sodium,N-(5-氯-3-吡嗪基)-4-氨基苯磺酰胺	Antibacterial; Antibiotic; Parasite	Microbiology/Virology
	Sulfachloropyrazine sodium(Sulfachloropyrazine) 是一种磺酰胺衍生物，具有抗菌和抗球虫作用。Sulfachloropyrazine sodium(Sulfachloropyrazine) 用于各种家禽疾病。
T0096	Vardenafil 伐地那非,Vivanza,Levitra,Vardenafil hydrochloride	PDE	Metabolism
	Vardenafil (Vivanza) 是选择性、高效的、具有口服活性的磷酸二酯酶5抑制剂，IC50=0.7 nM。它能够非竞争性地抑制环磷酸鸟苷水解，从而提高 cGMP 水平。它对 PDE1 (180 nM)，PDE6 (11 nM)，PDE2，PDE3，PDE4 (>1000 nM) 具有选择性。它可用于研究勃起功能障碍。
T4097	Vardenafil hydrochloride trihydrate Vardenafil HCl Trihydrate,BAY38-9456,盐酸瓦地那非三水合物	PDE	Metabolism
	Vardenafil hydrochloride trihydrate (BAY38-9456) 是一种新型 PDE 抑制剂，对 PDE5 和 PDE1 的 IC50 分别为 0.7 和 180 nM。
T4480	Vardenafil dihydrochloride Levitra,Vardenafil Hydrochloride,二盐酸伐地那非	PDE	Metabolism
	Vardenafil dihydrochloride (Levitra) 是一种新型 PDE 抑制剂，对 PDE5 和 PDE1 的 IC50 分别为 0.7 和 180 nM。
T36020	Florfenicol amine (hydrochloride)
	Florfenicol amine is a major metabolite of the antibiotic florfenicol, a fluorinated derivative of chloramphenicol that is commonly used in veterinary medicine. The pharmacokinetics of florfenicol and florfenicol amine are commonly studied in edible tissues from domestic animals.
T22249	1588-A4 ARS-1620 Intermediate	Ras	GPCR/G Protein; MAPK
	1588-A4 (ARS-1620 Intermediate) 是 ARS-1620 的中间体，ARS-1620 是一种具有理想药代动力学的阻转异构选择性 KRASG12C 抑制剂。
T25824	ML400 ML 400,CID-73050863,ML-400,CID73050863,CID 73050863	Phosphatase	Metabolism
	ML400 (CID73050863) 是 LMPTP 的变构抑制剂，EC50 为 1μM。 ML400 显示出良好的细胞活性和啮齿动物药代动力学。
T2006	Omecamtiv mecarbil CK-1827452	ATPase; Myosin	Cytoskeletal Signaling; Membrane transporter/Ion channel
	Omecamtiv mecarbil (CK-1827452) 是一种心脏特异性的肌球蛋白激活剂，用于研究心脏相关疾病。
T6705	TIC10 Isomer ONC201 isomer,TIC10 Analogue	Others	Others
	TIC10 Isomer (ONC201 isomer) 是一种 TIC10 的异构体。它不能诱导 TRIAL 表达的生物学活性。
T7001	TIC10 ONC-201	Apoptosis; TNF	Apoptosis
	TIC10 (ONC-201) 是一种有口服活性的，可透过血脑屏障的，肿瘤坏死因子相关的凋亡诱导配体 TRAIL 诱导剂。它通过抑制 Akt 和 ERK，从而激活 Foxo3a 并显著诱导细胞表面 TRAIL。
T20570	Labetalol Apo-Labetalol,Albetol,Trandate,Dilevalol,拉贝洛尔,Normodyne	Adrenergic Receptor	GPCR/G Protein; Neuroscience
	Labetalol (Apo-Labetalol) 是一种抗高血压药物，可用于心血管疾病的研究，如妊娠期高血压。它是一种口服具有活性的选择性 α1- 和非选择性 β-肾上腺素能受体 (adrenergic receptor) 竞争性拮抗剂。
T8947	dasiglucagon acetate dasiglucagon acetate(1544300-84-6 free base)	Others	Others
	dasiglucagon acetate 是一种用于糖尿病低血糖治疗的新型胰高血糖素类似物。它已证明在水性制剂中的溶解度和稳定性。药代动力学研究表明，与传统的重组胰高血糖素相比，它的胰高血糖素具有更高的吸收率和更长的血浆消除半衰期。
T36520	COR659	Cannabinoid Receptor; GABA Receptor	GPCR/G Protein; Membrane transporter/Ion channel; Neuroscience
	COR659 是一种有效的 GABAB 的阳性变构调节剂。COR659具有缓解大鼠对酒精和巧克力成瘾的作用。
T28067	ML372 ML 372,ML-372
	ML372 is a potent and selective SMN Modulator (EC50 = 12 nM, 325% increase inSMN2) with good potency, pharmacokinetics, tolerance, and CNS penetration.
T37638	Tofacitinib metabolite-1
	Tofacitinib metabolite-1, a derivative of Tofacitinib, which is a JAK inhibitor, is employed in studies focused on the pharmacokinetics and metabolism of tofacitinib[1][2].
T39502	Lipid 5
	Lipid 5 is an amino lipid compound that demonstrates proficient mRNA delivery in rodent and primate models, displaying favorable pharmacokinetics and minimal toxicity.
T39124	BAY 1217224
	BAY 1217224 is a neutral, non-prodrug Thrombin inhibitor with good oral pharmacokinetics.
T27383	FR-221647
	FR-221647 is a non-nucleoside adenosine deaminase inhibitor, it has moderate activity and good pharmacokinetics compared with the known inhibitors EHNA and pentostatin.
T30514	BMS-344577 U259PQB19A,UNII-U259PQB19A,CHEMBL570867,BMS 344577
	BMS-344577, a lactam derivative based on arylguanidine, is a potent oral active FXA inhibitor with excellent susceptibility in vitro, good pharmacokinetics, and pharmacodynamics in animal models.
T33392	MIP-1095 I-123 123-I-MIP-1095,(123I)MIP 1095
	MIP-1095 I-123, as a radiotracer, is under investigation in clinical trial NCT00712829 (Evaluating the Safety, Pharmacokinetics, Tissue Distribution, Metabolism and Dosimetry of Two Prostate Cancer Imaging Agents).
T37463	CAY10704
	CAY10704 is a potent inhibitor of hepatitis C virus (HCV) infection (EC50 = 17 nM) that displays low cytotoxicity of virally-infected human hepatoma Huh7.5.1 cells (CC50 = 21.3 μM). It displays good pharmacokinetics in mice when delivered intraperitoneally, with preferential liver distribution without significant hepatotoxicity. CAY10704 is selective for HCV over dengue virus (EC50 = 4.62 μM).
T81382	PROTAC BRD9 Degrader-7	PROTACs	PROTAC
	PROTACBRD9Degrader-7 是具有口服活性的BRD9选择性降解剂，DC50 值为 1.02 nM，表现出较好的口服生物利用度，其Cmax 达到 3436.95 ng/mL。
T69983	Ixazomib citrate EtOH
	Ixazomib citrate, also known as MLN9708, is a prodrug of Ixazomib (MMLN-2238). MLN9708 is an orally bioavailable second generation proteasome inhibitor (PI) with potential antineoplastic activity. MLN9708, after hydrolyzing to pharmacologically active MLN2238 (ixazomib), is a next-generation proteasome inhibitor with demonstrated preclinical and clinical antimyeloma activity. MLN9708, compared with bortezomib, has improved pharmacokinetics, pharmacodynamics, and antitumor activity in preclinic...
T78070	Despropylene gatifloxacin
	Despropylene gatifloxacin为AM-1155的代谢产物，后者显示出较强的抗菌活性及良好的药代动力学特性。
T70930	GSK SYK inhibitor
	The immunoregulator spleen tyrosine kinase (SYK) is upregulated in cutaneous lupus erythematosus (CLE). This double-blind, multicentre, Phase Ib study evaluated the safety, tolerability, pharmacokinetics, pharmacodynamics and clinical efficacy of the selective SYK inhibitor GSK2646264 in active CLE lesions
T62605	CDK4/6-IN-13
	作为CDK4/6抑制剂。化合物10b 和10c 在CDK4/6上表现出低纳摩尔范围的活性，理想的抗增殖活性，优异的代谢性质和可接受的药代动力学特性。
T74380	XY-06-007
	XY-06-007 是一种有效的选择性 B&H-PROTACBRD4BD1L94V 降解剂。XY-06-007 对BRD4BD1L94V 的DC50, 6 h 为 10 nM。XY-06-007 且具有适合的体内药代动力学特征。
T39035	FXIa-IN-6
	FXIa-IN-6 是一种有效的 FXIa 抑制剂，对大多数相关丝氨酸蛋白酶具有选择性（Ki= 0.3 nM）。FXIa-IN-6 还在多个临床前物种中展示了出色的药代动力学 (PK) 特性（高口服生物利用度和低清除率）。
T61663	SBI-581
	SBI-581 is an orally active, potent selective inhibitor of serine-threonine kinase TAO3, with an IC 50 of 42 nM. It effectively promotes the accumulation of TKS5α at RAB11-positive vesicles and inhibits the formation of invadopodia. Additionally, SBI-581 exhibits reasonable pharmacokinetics in mice when administered via IP injection, demonstrating significant antitumor activity [1].
T79513	ABCG2-IN-1	BCRP	Membrane transporter/Ion channel
	ABCG2-IN-1（化合物K2）为Ko143类似物，该口服活性ABCG2抑制剂IC50值为0.13 μM，显示出优良的小鼠体内口服药代动力学特性。
T78815	MOZ-IN-3	Histone Acetyltransferase	Chromatin/Epigenetic
	MOZ-IN-3 (Compound 6j) 是KAT6A (MOZ) 乙酰转移酶的抑制剂，IC50值为30 nM。该化合物在四种髓系白血病细胞系（HL-60、U937、SKNO-1、K562）上展现了抗肿瘤活性，并且显示出良好的代谢稳定性及药代动力学特性。
T70247	Clemizole sulfate
	Clemizole sulfate is a drug in clinical development for the treatment of hepatitis C virus (HCV) infection. Clemizole is a novel inhibitor of TRPC5 channels. Clemizole is an H1 antagonist. Clemizole, an antihistamine drug that was once widely used for treatment of allergic disease, was recently discovered to be a potent inhibitor (IC50, 24 nM) of the interaction between an HCV protein (NS4B) and HCV RNA. Although clemizole was widely used during the 1950s and 1960s, this was before contemporary ...
T60699	Aditoprime
	Aditoprime (Aditoprim) 是细菌二氢叶酸还原酶(DHFR)的选择性抑制剂。Aditoprime 抑制二氢叶酸向四氢叶酸的转化。Aditoprime 显示出良好的抗菌活性，具有广谱抗菌性，并且显示出良好的药代动力学。Aditoprime 抑制干酪乳杆菌和大肠杆菌 DHFR 的 IC50分别为520和47 nM。
T72125	Cap-dependent endonuclease-IN-9	Influenza Virus	Microbiology/Virology
	Cap-dependent endonuclease-IN-9 是高效的 CEN 抑制剂，其对流感病毒具明显抑制作用，同时展现低细胞毒性、良好的体内药剂动力学及药效学特性。此化合物强力抑制 A 病毒 RNA 聚合酶活性。
T71757	SC-10914
	SC10914 is a highly potent PARP inhibitor (PARP1 IC50 = 7.87 nM) with potent anti-proliferative activity against human BRCA deficient tumor cells (MDA-MB-436, BRCA1 deficient, IC50 = 4.03 nM, Capan-1 BRCA2 deficient, IC50 = 11.66 nM) and PTEN deficient tumor cells (HGC-27,PTEN deficient, IC50 = 0.35 μM). SC10914 showed potent anti-tumor activity in BRCA1/2 mutant tumor models and better pharmacokinetics profile has the potential to be selected as the clinical candidate for the treatment of treat...
T61936	AChE-IN-7
	AChE-IN-7 (Compound 16) 是选择性的、有效的乙酰胆碱酯酶抑制剂，抑制eeAChE 和eeBuChE 的IC50分别为 0.045 μM 和19.68 μM。AChE-IN-7 具有较高的血脑屏障渗透性。AChE-IN-7 在体内和体外都是安全的，并显示出良好的整体药代动力学性能和高生物利用度 (F = 55.5%)。
T63396	HCV-IN-38
	HCV-IN-38 是选择性的、有效的、口服具有活力的丙型肝炎病毒 (HCV) 抑制剂，其EC50值为15 nM，SI 值为431。HCV-IN-38 具有良好的安全性及口服药代动力学，表现出较高的抗HCV 活性和较低的细胞毒性作用。
T77139	Pavurutamab
	Pavurutamab (AMG-701) 是一种抗 CD3和抗 B 细胞成熟抗原 (BCMA) 的双特异性 T 细胞接合剂分子。Pavurutamab 在 Pacanalotamab 的基础上延长了半衰期。Pavurutamab 的 Fc 与分子偶联，可改善药代动力学参数。Pavurutamab 在免疫调节和多发性骨髓瘤 (MM) 中有潜在应用。
T37939	N-Desethyl Bimatoprost 17-phenyl trinor Prostaglandin F2α amide
	N-Desethyl Bimatoprost (17-phenyl trinor PGF2α amide) is an F-series PG analog in which the C-1 carboxyl group has been modified to an unsubstituted amide. PG esters have been shown to have ocular hypotensive activity. PG N-ethyl amides were recently introduced as alternative PG hypotensive prodrugs. Although it has been claimed that PG amides are not converted to the free acids in vivo, studies have shown that bovine and human corneal tissue converts the amides of various PGs to the free acids ...
T79455	SARS-CoV-2 Mpro-IN-9	SARS-CoV	Microbiology/Virology
	SARS-CoV-2 Mpro-IN-9 (compound c7) 是非肽类、非共价型SARS-CoV-2 Mpro抑制剂，IC50值为0.085 μM，展现出改进的物化特性和药物代谢及药动学 (DMPK) 性质。在Vero E6 细胞中，对SARS-CoV-2感染显示抑制效果，EC50为1.10 μM，同时具备低细胞毒性（CC50>50 μM）。
T60439	CAY10789
	CAY10789 (化合物 6) 是有效的CysLT1R 拮抗剂，IC50值为2.80 μM。CAY10789 也是一种GPBAR1激动剂，EC50为3 μM。CAY10789 显著降低 U937 细胞对 HAEC 的粘附并降低 TNF-α 的表达。CAY10789 表现出有前途的代谢稳定性和出色的药代动力学。 CAY10789 可用于结肠炎、代谢综合征和其他 GPBAR1/CysLT1R 相关疾病的研究。
T81661	NNMT-IN-4
	NNMT-IN-4（compound 38），一种选择性、非竞争性且具有膜通透性的烟酰胺N-甲基转移酶（NNMT）抑制剂，在体外生化及细胞实验中的IC50值为42 nM和38 nM。该抑制剂展现出良好的PK/PD关系和安全性，同时具备优秀的口服生物利用度和药物制剂性质，适合作为NNMT活性研究的体内化学探针。
T38266	Nirogacestat dihydrobromide
	Potent γ-secretase inhibitor (IC50 values are 1.2 and 6.2 nM in whole cell and cell-free assays, respectively). Reduces Aβ in brain, CSF and plasma in mice and guinea pigs. Lanz et al (2010) Pharmacodynamics and pharmacokinetics of the gamma-secretase inhibitor PF-3084014. J.Pharmacol.Exp.Ther. 334 269 PMID:20363853
T35645	4-oxo Cyclophosphamide
	4-oxo Cyclophosphamide is an inactive metabolite of the alkylating agent cyclophosphamide .1,2It is formed from cyclophosphamide through a 4-hydroxycyclophosphamide intermediate by aldehyde dehydrogenases.2 1.Struck, R.F., Kirk, M.C., Mellett, L.B., et al.Urinary metabolites of the antitumor agent cyclophosphamideMol. Pharmacol.7(5)519-529(1971) 2.de Jonge, M.E., Huitema, A.D.R., Rodenhuis, S., et al.Clinical pharmacokinetics of cyclophosphamideClin. Pharmacokinet.44(11)1135-1164(2005)
T37627	Latanoprost ethyl amide
	Latanoprost ethyl amide (Lat-NEt) is a latanoprost analog in which the C-1 carboxyl group has been modified to an N-ethyl amide. Prostaglandin esters have been shown to have ocular hypotensive activity. Prostaglandin N-ethyl amides were recently introduced as alternative prostaglandin ocular hypotensive prodrugs. Although it has been claimed that prostaglandin ethyl amides are not converted to the free acids in vivo, studies in our laboratories have shown that bovine and human corneal tissue con...
T35720	4’-hydroxy Atomoxetine Glucuronide (hydrate)
	4’-hydroxy Atomoxetine glucuronide is a metabolite of the norepinephrine transporter (NET) inhibitor atomoxetine .1It is formed from atomoxetine by glucuronidation of the intermediate metabolite 4-hydroxy atomoxetine.2 1.Todor, I., Popa, A., Neag, M., et al.Evaluation of a potential metabolism-mediated drug-drug interaction between atomoxetine and bupropion in healthy volunteersJ. Pharm. Pharm. Sci.19(2)198-207(2016) 2.Sauer, J.-M., Ring, B.J., and Witcher, J.W.Clinical pharmacokinetics of atomo...

化合物

Cat.No: T8441

Target: 5-HT Receptor

Cat.No: T15712

Synonym: MK-0524

Target: Prostaglandin Receptor

Cat.No: T1752

Target: Potassium Channel

Vardenafil hydrochloride

Cat.No: T8405

Synonym: 伐地那非,盐酸伐地那非

Target: PDE

Cat.No: T7121

Synonym: 磺胺氯吡嗪,Sulfachloropyrazine,Sulfachloropyrazine sodium,N-(5-氯-3-吡嗪基)-4-氨基苯磺酰胺

Target: Antibacterial, Antibiotic, Parasite

Cat.No: T0096

Synonym: 伐地那非,Vivanza,Levitra,Vardenafil hydrochloride

Target: PDE

Vardenafil hydrochloride trihydrate

Cat.No: T4097

Synonym: Vardenafil HCl Trihydrate,BAY38-9456,盐酸瓦地那非三水合物

Target: PDE

Vardenafil dihydrochloride

Cat.No: T4480

Synonym: Levitra,Vardenafil Hydrochloride,二盐酸伐地那非

Target: PDE

Florfenicol amine (hydrochloride)

Cat.No: T36020

Cat.No: T22249

Synonym: ARS-1620 Intermediate

Target: Ras

Cat.No: T25824

Synonym: ML 400,CID-73050863,ML-400,CID73050863,CID 73050863

Target: Phosphatase

Omecamtiv mecarbil

Cat.No: T2006

Synonym: CK-1827452

Target: ATPase, Myosin

Cat.No: T6705

Synonym: ONC201 isomer,TIC10 Analogue

Target: Others

Cat.No: T7001

Synonym: ONC-201

Target: Apoptosis, TNF

Cat.No: T20570

Synonym: Apo-Labetalol,Albetol,Trandate,Dilevalol,拉贝洛尔,Normodyne

Target: Adrenergic Receptor

dasiglucagon acetate

Cat.No: T8947

Synonym: dasiglucagon acetate(1544300-84-6 free base)

Target: Others

Cat.No: T36520

Target: Cannabinoid Receptor, GABA Receptor

Cat.No: T28067

Synonym: ML 372,ML-372

Tofacitinib metabolite-1

Cat.No: T37638

Cat.No: T39502

Cat.No: T39124

Cat.No: T27383

Cat.No: T30514

Synonym: U259PQB19A,UNII-U259PQB19A,CHEMBL570867,BMS 344577

Cat.No: T33392

Synonym: 123-I-MIP-1095,(123I)MIP 1095

Cat.No: T37463

PROTAC BRD9 Degrader-7

Cat.No: T81382

Target: PROTACs

Ixazomib citrate EtOH

Cat.No: T69983

Despropylene gatifloxacin

Cat.No: T78070

GSK SYK inhibitor

Cat.No: T70930

Cat.No: T62605

Cat.No: T74380

Cat.No: T39035

Cat.No: T61663

Cat.No: T79513

Target: BCRP

Cat.No: T78815

Target: Histone Acetyltransferase

Clemizole sulfate

Cat.No: T70247

Cat.No: T60699

Cap-dependent endonuclease-IN-9

Cat.No: T72125

Target: Influenza Virus

Cat.No: T71757

Cat.No: T61936

Cat.No: T63396

Cat.No: T77139

N-Desethyl Bimatoprost

Cat.No: T37939

Synonym: 17-phenyl trinor Prostaglandin F2α amide

SARS-CoV-2 Mpro-IN-9

Cat.No: T79455

Target: SARS-CoV

Cat.No: T60439

Cat.No: T81661

Nirogacestat dihydrobromide

Cat.No: T38266

4-oxo Cyclophosphamide

Cat.No: T35645

Latanoprost ethyl amide

Cat.No: T37627

4’-hydroxy Atomoxetine Glucuronide (hydrate)

Cat.No: T35720

Cat. No.	Product Name	Target	Signaling Pathways
T3824	Jaceosidin	Apoptosis; BCL; COX; UGT	Apoptosis; Immunology/Inflammation; Metabolism; Neuroscience
	Jaceosidin 是从毛莲蒿中得到的一种黄酮类天然产物，可激活Bax，下调 Mcl-1 和 c-FLIP 的表达，诱导癌细胞凋亡。它能够降低炎性因子水平，激活 NF-κB，抑制COX-2的表达，具有抗癌和抗炎作用。
T37962	Paeoniflorgenin
	Paeoniflorgenin is a deglucosylated metabolite of Paeoniflorin[1]. [1]. Hsiu SL, et, al. A deglucosylated metabolite of paeoniflorin of the root of Paeonia lactiflora and its pharmacokinetics in rats. Planta Med. 2003 Dec; 69(12): 1113-8.
T36954	Nemorosone
	Nemorosone is a polycyclic polyprenylated acylphloroglucinol (PPAP) originally isolated from C. rosea that has antiproliferative properties.1 Nemorosone inhibits growth of NB69, Kelly, SK-N-AS, and LAN-1 neuroblastoma cells (IC50s = 3.1-6.3 μM), including several drug-resistant clones, but not MRC-5 human embryonic fibroblasts (IC50 = >40 μM).2 It increases DNA fragmentation in LAN-1 cells in a dose-dependent manner, and decreases N-Myc protein levels and phosphorylation of ERK1/2 by MEK1/2. Nem...

天然产物

Cat.No: T3824

Target: Apoptosis, BCL, COX, UGT

Paeoniflorgenin

Cat.No: T37962

Cat.No: T36954

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