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13

抑制剂 & 化合物

4

天然产物

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Cat. No.	Product Name	Target	Signaling Pathways
T1199	Mitotane Mitotan,o,p'-DDD,NCI-C04933,2,4′-DDD,米托坦	Apoptosis; AChR	Apoptosis; Neuroscience
	Mitotane (NCI-C04933) 是 DDD 的同分异构体和 DDT 的衍生物，可作用于肾上腺皮质癌，有抗癌活性。
T2534	Pitavastatin calcium P-872441,nisvastatin,itavastatin,Pitavastatin hemicalcium,匹伐他汀钙,NK-104	Apoptosis; Mitophagy; Endogenous Metabolite; HMG-CoA Reductase; Autophagy	Apoptosis; Autophagy; Metabolism
	Pitavastatin calcium (NK-104) 是一种羟甲基戊二酰-CoA 还原酶抑制剂。它在 HepG2 细胞中抑制乙酸合成胆固醇的IC50为 5.8 nM。它是高效的肝细胞低密度脂蛋白胆固醇受体诱导剂。具有抗癌活性。
T35841	5-Benzyloxygramine	Dopamine Receptor; 5-HT Receptor	GPCR/G Protein; Neuroscience
	5-Benzyloxygramine 是一种 N 蛋白、蛋白互作的原位稳定剂，具有抗病毒和稳定 N-NTD 蛋白的作用。它能够阻断多巴胺受体，可拮抗 5-HT 对大鼠子宫和兔耳的作用。
T68846	Coproporphyrin I dihydrochloride
	Coproporphyrin I dihydrochloride is an appropriate clinical biomarker to recapitulate drug-drug interactions mediated by OATP inhibition.
T37307	Nordoxepin hydrochloride
	Doxepin is a tricyclic antidepressant. Desmethyldoxepin is the primary metabolite of doxepin, produced by metabolism at the liver. The metabolism of tricyclic antidepressants, including doxepin, is affected by a variety of factors, including age, genetics, and drug-drug interactions.
T61515	5-HT7 receptor ligand 1
	5-HT7 receptor ligand 1 (Compound 5c) is a potent ligand for the 5-HT7 receptor, with a K i value of 8 nM. The compound demonstrates non-hepatotoxic properties and displays moderate potential for drug-drug interactions with substrates of CYP3A4 or CYP2D6 enzymes [1].
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...
T62610	LY3154885
	LY3154885 是一种口服具有活力的多巴胺 D1 受体正变构调节剂 (PAM)。LY3154885 对药物-药物相互作用 (DDI) 的风险具有改善作用。
T37788	Resorufin benzyl ether
	Resorufin benzyl ether is a fluorometric probe that acts as a substrate for cytochrome P450 (CYP)3A4. It is typically used near its apparent Km value of 30 μM to screen the inhibition/activation potential of test compounds, to predict potential drug-drug interactions, or to monitor other CYP450 activities. Upon enzyme cleavage, resorufin benzyl ether generates a red fluorescent product (ex. 571 nm/em. 585 nm).
T39700	Ga(III) protoporphyrin IX
	Ga(III)protoporphyrin-IX, a model for interporphyrin interactions in malaria pigment, possesses potent antibacterial effects against gram-negative, gram-positive, and acid-fast bacteria. It exhibits high solubility in methanol (MeOH) and serves as a malarial pigment analogue for drug development, as well as a potential antibacterial agent.
T35919	N-hydroxy Riluzole
	N-hydroxy Riluzole is a metabolite of the antiglutamatergic agent riluzole .1It is formed from riluzole predominantly by the cytochrome P450 (CYP) isoform CYP1A2 in human hepatic microsomes. 1.Sanderink, G.J., Bournique, B., Stevens, J., et al.Involvement of human CYP1A isoenzymes in the metabolism and drug interactions of riluzole in vitroJ. Pharmacol. Exp. Ther.282(3)1465-1472(1997)
T36662	Imidafenacin Metabolite M4 Imidafenacin Metabolite M4
	Imidafenacin metabolite M4 is a metabolite of the muscarinic acetylcholine receptor antagonist imidafenacin.1It is formed from imidafenacin by the cytochrome P450 (CYP) isoform CYP3A4. 1.Kanayama, N., Kanari, C., Masuda, Y., et al.Drug-drug interactions in the metabolism of imidafenacin: Role of the human cytochrome P450 enzymes and UDP-glucuronic acid transferases, and potential of imidafenacin to inhibit human cytochrome P450 enzymesXenobiotica37(2)139-154(2007)
T36794	Dolutegravir O-β-D-Glucuronide
	Dolutegravir O-β-D-glucuronide is a metabolite of the HIV integrase inhibitor dolutegravir .1It is formed from dolutegravir primarily by the UDP-glucuronosyltransferase (UGT) isoform UGT1A1in vivobut is also metabolized by UGT1A9 in human liver and kidney microsomes and UGT1A3 in human intestinal microsomes.2,1 1.Liu, S.N., Lu, J.B., Watson, C.J.W., et al.Mechanistic assessment of extrahepatic contributions to glucuronidation of integrase strand transfer inhibitorsDrug Metab. Dispos.47(5)535-544...

化合物

Cat.No: T1199

Synonym: Mitotan,o,p'-DDD,NCI-C04933,2,4′-DDD,米托坦

Target: Apoptosis, AChR

Pitavastatin calcium

Cat.No: T2534

Synonym: P-872441,nisvastatin,itavastatin,Pitavastatin hemicalcium,匹伐他汀钙,NK-104

Target: Apoptosis, Mitophagy, Endogenous Metabolite, HMG-CoA Reductase, Autophagy

5-Benzyloxygramine

Cat.No: T35841

Target: Dopamine Receptor, 5-HT Receptor

Coproporphyrin I dihydrochloride

Cat.No: T68846

Nordoxepin hydrochloride

Cat.No: T37307

5-HT7 receptor ligand 1

Cat.No: T61515

Cat.No: T70391

Cat.No: T62610

Resorufin benzyl ether

Cat.No: T37788

Ga(III) protoporphyrin IX

Cat.No: T39700

N-hydroxy Riluzole

Cat.No: T35919

Imidafenacin Metabolite M4

Cat.No: T36662

Synonym: Imidafenacin Metabolite M4

Dolutegravir O-β-D-Glucuronide

Cat.No: T36794

Cat. No.	Product Name	Target	Signaling Pathways
T3797	Isosilybin Isosilybinin,Isosilibinin,异水飞蓟宾,Silymarin,Silybin B,Q-100795	P450	Metabolism
	Isosilybin (Isosilibinin) 是一种类黄酮，来源于乳蓟；能够抑制CYP3A4诱导(IC50:74 μM)。
T5567	Tetradecanedioic acid 十四烷二酸,Tetradecanedicarboxylate	Others; Endogenous Metabolite	Metabolism; Others
	Tetradecanedioic acid (Tetradecanedicarboxylate) 是一种长链脂肪酸，属于内源性代谢物的一种。它能够作为有机阴离子转运多肽介导的药物-药物相互作用的候选生物标志物。
T5S2361	Epiberberine	ERK; Beta-Secretase; MEK; BACE; AMPK; AChR; AChE	Chromatin/Epigenetic; MAPK; Neuroscience; PI3K/Akt/mTOR signaling
	Epiberberine 是一种从黄连中得到的生物碱，是AChE 和BChE 抑制剂，和非竞争性BACE1抑制剂。在 3T3-L1 细胞分化早期，它能够下调 Raf/MEK1/2/ERK1/2 和 AMPKα/Akt 信号通路。它具有抗氧化作用，能够清除 ONOO-，可用于阿尔滋海默症和糖尿病的研究。
T37810	6',7'-Epoxybergamottin
	6'7'-Epoxybergamottin is a furanocoumarin found in grapefruit. It is a potent inhibitor of the cytochrome P450 (CYP) isoform CYP3A4 with an IC50 value of 0.30 ppm in a cell-free assay, 0.33 μM in HL7 human liver cells, and 0.22 μM in S9 human intestine cells. It has been studied in the context of drug interactions with grapefruit constituents. It is found in grapefruit juice at concentrations of 0.1-7.4 μM and inhibits the transport of talinolol , a permeability glycoprotein (P-gp/ABCB1) transpo...

天然产物

Cat.No: T3797

Synonym: Isosilybinin,Isosilibinin,异水飞蓟宾,Silymarin,Silybin B,Q-100795

Target: P450

Tetradecanedioic acid

Cat.No: T5567

Synonym: 十四烷二酸,Tetradecanedicarboxylate

Target: Others, Endogenous Metabolite

Cat.No: T5S2361

Target: ERK, Beta-Secretase, MEK, BACE, AMPK, AChR, AChE

6',7'-Epoxybergamottin

Cat.No: T37810

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