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158

抑制剂 & 化合物

2

天然产物

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Cat. No.	Product Name	Target	Signaling Pathways
T13099	TC ASK 10	ASK; MAPK	Apoptosis; MAPK
	TC ASK 10 是选择性的，口服有效的细胞凋亡信号调节激酶 1 抑制剂，IC50为 14 nM。它对其他代表性激酶的抑制活性低于 50％，除 ASK2之外 (IC50为 0.51 μM)。
T2086	ELN-441958 ELN 441958	Bradykinin Receptor	GPCR/G Protein
	ELN-441958是一种B1受体拮抗剂，能够抑制B1激动剂配体[3H] DAKD 与IMR-90细胞结合(Ki:0.26 nM)，相较于B2受体，它对B1受体的抑制作用具有更高的选择性，且比抑制μ阿片受体选择性高500多倍，比抑制δ阿片受体选择性高2000多倍。
T1770	GNE-9605	LRRK2	Autophagy
	GNE-9605 是一个高效，选择性和能脑渗透的LRRK2抑制剂，IC50为19 nM。
T10606	BRD0705	GSK-3	PI3K/Akt/mTOR signaling; Stem Cells
	BRD0705 是一种具有旁系选择性的、口服具有活性的GSK3α抑制剂，其 IC50=66 nM，Kd=4.8 μM。它与 GSK3β (其 IC50=515 nM) 相比，对GSK3α的选择性更高 (8 倍)。它可用于研究急性髓细胞性白血病。
TQ0239	PF-06291874 Glucagon receptor antagonists-4	Glucagon Receptor	GPCR/G Protein
	PF-06291874 (Glucagon receptor antagonists-4) 是口服有活性的胰高血糖素受体非肽类拮抗剂。它正用于研究 2 型糖尿病。
T24493	Monoelaidin
	Monoelaidin is a poorly water-soluble drug enhancer of solubility and oral bioavailability.
T69757	PDDC inhibitor
	PDDC is the first nSMase2 inhibitor that possesses both favorable pharmacodynamics and pharmacokinetic (PK) parameters, including substantial oral bioavailability, brain penetration, and significant inhibition of exosome release from the brain in vivo.
T19609	HP-β-CD 羟丙基-β-环糊精,羟丙基-BETA-环糊精,Hydroxypropyl-β-cyclodextrin,Hydroxypropyl betadex	Others	Others
	HP-β-CD (HP-β-CD) 是一种药物递送载体，可提高稳定性和利用度。
T9173	HM-30181 mesylate monohydrate	P-gp	Membrane transporter/Ion channel; Neuroscience
	HM-30181 mesylate monohydrate 是一种口服 P-糖蛋白 (P-gp) 抑制剂，用于提高 P-gp 底物药物的口服生物利用度。
T7897	PK150	Others; Antibacterial	Microbiology/Virology; Others
	PK150 是一种 Sorafenib 类似物，具有抗菌活性。它抑制甲氧西林敏感金黄色葡萄球菌，耐甲氧西林金黄色葡萄球菌，万古霉素中介金黄色葡萄球菌的 MIC 分别为 0.3，0.3-1，0.3 µM。
T7614	Eniluracil GW776C85,5-Ethynyluracil	Others	Others
	Eniluracil (GW776C85) 是不可逆的二氢嘧啶脱氢酶(DPD)抑制剂，是一种尿嘧啶类似物，能够使 5-FU 的口服生物利用度提高到 100%，促进均匀吸收和可预测的毒性。
T8850	sbp-7455	Autophagy	Autophagy
	SBP-7455 是一种高亲和力，可口服的双重ULK1/ULK2自噬抑制剂，可有效抑制ULK1/2酶活性，可研究三阴性乳腺癌，在 ADP-Glo 分析中的IC50分别为 13 nM 和 476 nM。
T9692	Paltusotine	Somatostatin	GPCR/G Protein
	Paltusotine 是一种口服有效的，非肽选择性生长抑素 2 型受体激动剂。在长效生长抑素受体配体作用后，Paltusotine 仍可维持 GH 和 IGF-1 水平。
T26863	BMS-929075 BMS 929075,BMS929075	HCV Protease	Microbiology/Virology; Proteases/Proteasome
	BMS-929075是一种具有口服活性 HCV NS5B 复制酶 (HCV NS5B replicase) 手掌位点变构抑制剂，具有有效性、较高的口服生物利用度和药代动力学参数。BMS-929075 显示出细胞毒性。
T24480	MK-8325 MK 8325,MK8325	HCV Protease	Microbiology/Virology; Proteases/Proteasome
	MK-8325是一种有效且可口服的HCV NS5A 抑制剂，对多种基因型具有复制活性。MK-8325在体外和体内试验显示生物利用度且具有良好的总体ADME 特征。
TQ0039	(±)-Zanubrutinib (±)-BGB-3111	BTK	Angiogenesis; Tyrosine Kinase/Adaptors
	(±)-Zanubrutinib ((±)-BGB-3111) 是一种有效的口服Bruton’s 酪氨酸激酶(Btk)抑制剂，具有优越的口服生物利用度，可实现更高的暴露量和更完整的靶点抑制。
T15409	GNF179	Parasite	Microbiology/Virology
	GNF179 是8,8-二甲基 IP 类似物。它表现出对多药耐药菌株 W2 的效力，具有良好的体外代谢稳定性和体内口服生物相容性。
T16143	MRTX-1257	Ras	GPCR/G Protein; MAPK
	MRTX-1257 是选择性的、可口服的不可逆共价KRAS G12C 抑制剂，其在 H358 细胞中测得 KRAS 依赖 ERK 磷酸化的IC50值为 900 pM。
T14091	AC-73	Autophagy	Autophagy
	AC-73 是一种可口服的 Cluster of Differentiation 147 (CD147) 抑制剂，具有很高的生物利用，可选择性破坏 CD147 的二聚化 (结合位点在 CD147 的 N 端 IgC2 域中包括 Glu64 和 Glu73)，从而对 CD147/ERK1/2/STAT3/MMP-2 途径产生抑制，并抑制肝癌细胞的运动和侵袭。AC-73 具有抗增殖活性，诱导白血病细胞自噬。
T3312	AM-2394 AM2394	Glucokinase	Metabolism
	AM-2394 是新型的 glucokinase 激活剂 (GKA)。它能够激活葡萄糖激酶 (GK)，EC50=60 nM。
T64133L	Laniquidar TFA Laniquidar TFA(197509-46-9 Free base),R101933	P-gp	Membrane transporter/Ion channel; Neuroscience
	Laniquidar TFA (R101933) 是一种新型口服非竞争性P-糖蛋白(P-gp)抑制剂，IC50 值为 0.51 μM。Laniquidar的生物利用度有限，可用于调节多药耐药性转运体。Laniquidar可用于研究急性髓性白血病(AML)和骨髓增生异常综合征(MDS)。
T72077	Imidacloprid-urea
	Imidacloprid-urea 是吡虫啉的次级代谢产物。吡虫啉是一种有效且广泛使用的新烟碱类化合物，对谷物，蔬菜，茶叶和棉花的害虫具有抑制作用。Imidacloprid-urea 可以占据或阻断吡虫啉在土壤上的吸附位点，从而可能影响吡虫啉在环境中的去向、转运和生物利用度。
T60919	SARS-CoV-2-IN-13	SARS-CoV	Microbiology/Virology
	SARS-CoV-2-IN-13 (compound 6) 是氯硝柳胺的类似物。在人血浆和肝S9酶测定中，SARS-CoV-2-IN-13 比氯硝柳胺更稳定。SARS-CoV-2-IN-13 口服给药时可以提高生物利用度和半衰期。SARS-CoV-2-IN-13 是SARS-CoV-2的有效抑制剂，IC50值为 0.057 μM。
T60538	SARS-CoV-2-IN-14 3',5-Dichlorosalicylanilide	SARS-CoV	Microbiology/Virology
	SARS-CoV-2-IN-14 是一种有效的、可口服的 SARS-CoV-2 抑制剂（IC50 ：0.39 μM），是一种氯硝柳胺类似物。SARS-CoV-2-IN-14在人血浆和肝 S9 酶测定中比氯硝柳胺稳定性更强。SARS-CoV-2-IN-14以口服的方式给药可以提高其生物利用度和半衰期。
T73447	NP10679
	NP10679 是一种选择性、pH 依赖性的GluN2B 亚基特异的 N-methyl-D-aspartate (NMDA) 受体抑制剂，具有较高的口服生物利用度和良好的脑穿透性。NP10679 在 pH 6.9 和 7.6 下，抑制 GluN2B 的IC50分别为 23 和 142 nM。NP10679 是histamine H1的拮抗剂和hERG 通道抑制剂，IC50分别为 73 和 620 nM。NP10679 是一种可逆的人肝脏CYP 酶抑制剂。
T26690	AVN-101	5-HT Receptor; Adrenergic Receptor; Histamine Receptor	GPCR/G Protein; Immunology/Inflammation; Neuroscience
	AVN-101 是一种非常有效的 5-HT7 受体拮抗剂 (Ki = 153 pM)。 AVN-101 还对组胺 H1 (Ki = 0.58 nM) 和肾上腺素能 α2A、α2B 和 α2C (Ki = 0.41-3.6 nM) 受体表现出相当高的亲和力。 AVN-101在中枢神经系统疾病动物模型中显示出良好的口服生物利用度和促进脑血屏障通透性、低毒性和合理的疗效。
T35868	BCAT-IN-2
	BCAT-IN-2 is a potent, selective and orally active inhibitor of mitochondrial branched-chain aminotransferase (BCATm), with a pIC50 of 7.3. BCAT-IN-2 shows selectivity for BCATm over BCATc (pIC50=6.6). BCAT-IN-2 can be used for the research of obesity and dislipidema[1]. BCAT-IN-2 (compound 61) inhibits BCATm in differentiated primary human adipocyte, with pIC50 of 6.5[1]. BCAT-IN-2 (compound 61) (10-100 mg/kg; p.o.) increases the level of leucine from 473 μM to 1.2 mM at the dose of 100 mg/kg i...
T32005	GSK1842799 GSK 1842799
	GSK1842799 is a selective S1P1 receptor agonist with good oral bioavailability.
T70166	Indinavir monohydrate
	Indinavir monohydrate is a potent and specific HIV protease inhibitor that appears to have good oral bioavailability.
T24853	ZINC05626394 ZINC-05626394,ZINC 05626394
	ZINC05626394 is a Cytochrome b5 reductase 3 inhibitor that acts by increasing NO bioavailability.
T33763	NVP CXCR2 20 NVP-CXCR2 20,NVP CXCR2-20,NVP CXCR220
	NVP CXCR2 20 is an effective selective CXCR2 antagonist (IC50 = 40 nM) with oral bioavailability.
T10448	Bacampicillin	Others	Others
	Bacampicillin is an improved oral bioavailability penicillin antibiotic which is a prodrug of ampicillin.
T32286	JE-2178 JE2178
	JE-2178 is compound with high bioavailability .
T33291	Meproscillarin KY-18,Rambufaside,Clift,KY 18,KY18
	Meproscillarin is a glycoside with high bioavailability (about 70%) and an elimination independent of renal function.
T16755	RIPK-IN-4	TNF	Apoptosis
	RIPK-IN-4 is an effective and selective inhibitor of RIPK2. It also has excellent oral bioavailability (IC50: 3 nM).
T16424	p38 MAPK-IN-1	p38 MAPK	MAPK
	p38 MAPK-IN-1 displays sustained levels, low clearance, and good bioavailability. p38 MAPK-IN-1 is a novel effective and selective inhibitor of p38 MAPK (IC50: 68 nM).
T14500	BAY-1316957	Prostaglandin Receptor	GPCR/G Protein; Immunology/Inflammation
	BAY-1316957 is a highly potent and selective EP4 receptor antagonist. With an IC50 of 15.3 nM. Good oral bioavailability[1].
T18652	RTC-30	Others	Others
	RTC-30 is an optimized phenothiazine compound possessing potent anti-cancer properties. It is formulated with a hydroxylated linker (N) which enhances its oral bioavailability[1].
T10448L	Bacampicillin hydrochloride	Others	Others
	Bacampicillin hydrochloride is an improved oral bioavailability penicillin antibiotic which is a prodrug of ampicillin.
T70179	THIQ-40
	THIQ-40 is a novel potent erα antagonist and selective estrogen receptor degrader (serd), exhibiting good oral bioavailability, antitumor efficacy, and serd activity in vivo
T40280	JH-XVI-178
	JH-XVI-178 is a highly potent and selective CDK8/19 inhibitor with favorable pharmacokinetic attributes, including low clearance and moderate oral bioavailability.
T27373	FR-181157 FR-181157 Free Base
	FR-181157, a novel prostaglandin (PG) mimetic, shows high potency and agonist efficacy at the IP receptor and has good bioavailability.
T15093	Dehydro-ZINC39395747	Others	Others
	Dehydro-ZINC39395747 is a ZINC39395747 derivative. ZINC39395747 can increase NO bioavailability in vascular cells. ZINC39395747 is a potent cytochrome b5 reductase 3 inhibitor (IC50 : 9.14 μM and Kd: 1.11 μM).
T39935	TRPA1-IN-1 TRPA1-IN-1
	TRPA1-IN-1 is a potent, selective antagonist of the TRPA1 channel, demonstrating significant oral bioavailability as a small molecule.
T38990	MGS0274
	MGS0274, an ester-based lipophilic prodrug of the metabotropic glutamate (mGlu)2 and mGlu3 receptor agonist MGS0008, demonstrates enhanced oral bioavailability and holds promise for schizophrenia research applications.
T39442	AM-8123
	AM-8123 is an APJ agonist with high oral bioavailability and potency. It effectively inhibits Forskolin-stimulated cAMP production and activates Gα proteins. This compound is valuable for cardiovascular disease research.
T27374	FR-181877 FR181877,FR 181877
	FR-181877, a nonprostanoid PGI2 agonist, inhibits ADP-induced aggregation of human platelets with an IC50 value of 0.081 microM and has high oral bioavailability (56%) with a long half-life (4.3 h) in rats.
T29151	WAY267464 HCl WAY267464,WAY-267464,WAY 267,464 dihydrochloride,WAY-267,464 dihydrochloride,WAY 267464 dihydrochloride,WAY 267464
	WAY267464 is a nonpeptide small-molecule OT agonists with anxiolytic activity. WAY267464 may be used for modulation of potency, selectivity over the structurally similar vasopressin receptors, CNS penetration, and oral bioavailability.
T38298	Tuberculosis inhibitor 3
	Tuberculosis inhibitor 3 (compound 2i) displays potent anti-TB activity (MIC < 0.016 μg/mL) against drug-sensitive/resistant MTB strains. Tuberculosis inhibitor 3 (compound 2i) shows acceptable PK profiles with oral bioavailability[1].
T15366	Gabapentin enacarbil XP-13512,加巴喷丁酯	Others; Calcium Channel	Membrane transporter/Ion channel; Metabolism; Others
	Gabapentin enacarbil (XP-13512) 是抗惊厥和镇痛药物加巴喷丁的前药。Gabapentin enacarbil 提供持续剂量比例的 Gabapentin 暴露和可预测的生物利用度。

化合物

Cat.No: T13099

Target: ASK, MAPK

Cat.No: T2086

Synonym: ELN 441958

Target: Bradykinin Receptor

Cat.No: T1770

Target: LRRK2

Cat.No: T10606

Target: GSK-3

Cat.No: TQ0239

Synonym: Glucagon receptor antagonists-4

Target: Glucagon Receptor

Cat.No: T24493

Cat.No: T69757

Cat.No: T19609

Synonym: 羟丙基-β-环糊精,羟丙基-BETA-环糊精,Hydroxypropyl-β-cyclodextrin,Hydroxypropyl betadex

Target: Others

HM-30181 mesylate monohydrate

Cat.No: T9173

Target: P-gp

Cat.No: T7897

Target: Others, Antibacterial

Cat.No: T7614

Synonym: GW776C85,5-Ethynyluracil

Target: Others

Cat.No: T8850

Target: Autophagy

Cat.No: T9692

Target: Somatostatin

Cat.No: T26863

Synonym: BMS 929075,BMS929075

Target: HCV Protease

Cat.No: T24480

Synonym: MK 8325,MK8325

Target: HCV Protease

(±)-Zanubrutinib

Cat.No: TQ0039

Synonym: (±)-BGB-3111

Target: BTK

Cat.No: T15409

Target: Parasite

Cat.No: T16143

Target: Ras

Cat.No: T14091

Target: Autophagy

Cat.No: T3312

Synonym: AM2394

Target: Glucokinase

Cat.No: T64133L

Synonym: Laniquidar TFA(197509-46-9 Free base),R101933

Target: P-gp

Imidacloprid-urea

Cat.No: T72077

SARS-CoV-2-IN-13

Cat.No: T60919

Target: SARS-CoV

SARS-CoV-2-IN-14

Cat.No: T60538

Synonym: 3',5-Dichlorosalicylanilide

Target: SARS-CoV

Cat.No: T73447

Cat.No: T26690

Target: 5-HT Receptor, Adrenergic Receptor, Histamine Receptor

Cat.No: T35868

Cat.No: T32005

Synonym: GSK 1842799

Indinavir monohydrate

Cat.No: T70166

Cat.No: T24853

Synonym: ZINC-05626394,ZINC 05626394

Cat.No: T33763

Synonym: NVP-CXCR2 20,NVP CXCR2-20,NVP CXCR220

Cat.No: T10448

Target: Others

Cat.No: T32286

Synonym: JE2178

Cat.No: T33291

Synonym: KY-18,Rambufaside,Clift,KY 18,KY18

Cat.No: T16755

Target: TNF

Cat.No: T16424

Target: p38 MAPK

Cat.No: T14500

Target: Prostaglandin Receptor

Cat.No: T18652

Target: Others

Bacampicillin hydrochloride

Cat.No: T10448L

Target: Others

Cat.No: T70179

Cat.No: T40280

Cat.No: T27373

Synonym: FR-181157 Free Base

Dehydro-ZINC39395747

Cat.No: T15093

Target: Others

Cat.No: T39935

Synonym: TRPA1-IN-1

Cat.No: T38990

Cat.No: T39442

Cat.No: T27374

Synonym: FR181877,FR 181877

Cat.No: T29151

Synonym: WAY267464,WAY-267464,WAY 267,464 dihydrochloride,WAY-267,464 dihydrochloride,WAY 267464 dihydrochloride,WAY 267464

Tuberculosis inhibitor 3

Cat.No: T38298

Gabapentin enacarbil

Cat.No: T15366

Synonym: XP-13512,加巴喷丁酯

Target: Others, Calcium Channel

Cat. No.	Product Name	Target	Signaling Pathways
T8160	EGCG Octaacetate 乙酰化表没食子儿茶素没食子酸酯,乙酰化EGCG	Others; Antibacterial	Microbiology/Virology; Others
	EGCG Octaacetate 是表没食子儿茶素没食子酸酯的前药，对革兰氏阳性菌和革兰氏阴性菌有潜在抗菌可能。它可下调 PI3K/Akt/NFκB 磷酸化和 p65 乙酰化来降低促炎介质水平，减少小鼠结肠炎引起的结肠癌。
TN1918	Medicarpin 美迪紫檀素	Apoptosis; BCL; ROS; JNK	Apoptosis; Immunology/Inflammation; MAPK
	Medicarpin 是从紫花苜蓿中分离出的一种类黄酮。它通过调节 P-gp 介导的药物外流，诱导白血病 P388 细胞凋亡并克服多药耐药性。

天然产物

EGCG Octaacetate

Cat.No: T8160

Synonym: 乙酰化表没食子儿茶素没食子酸酯,乙酰化EGCG

Target: Others, Antibacterial

Cat.No: TN1918

Synonym: 美迪紫檀素

Target: Apoptosis, BCL, ROS, JNK

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