ML 190

• 常用名: ML 190
• 英文名: ML 190
• CAS号: 1355244-02-8
• 分子量: 488.58
• 密度: N/A
• 沸点: N/A
• 分子式: C₂₇H₃₂N₆O₃
• 熔点: N/A
• 闪点: N/A

ML 190用途

ML 190是一种选择性κ阿片受体(KOR)拮抗剂,IC50为120 nM,EC50为129 nM【1】。

ML 190名称

• 英文名: N-(3-(4-(4-methoxyphenyl)piperazin-1-yl)propyl)-2-(1-methyl-6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl)acetamide

ML 190生物活性

• 描述: ML 190是一种选择性κ阿片受体(KOR)拮抗剂,IC50为120 nM,EC50为129 nM【1】。
• 相关类别:
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 阿片受体
  信号通路 >> 神经信号通路 >> 阿片受体
  研究领域 >> 神经疾病
• 靶点实验:

  IC50: 120 nM (KOR)[1] EC50: 129 nM (KOR)[1]

• 体外研究: ML-190人血浆蛋白结合率分别为93.96%(1μM)、88.54%(10μM),小鼠血浆蛋白结合率分别为88.46%(1μM)、80.07%(10μM)；人和小鼠3小时血浆残留百分率均为100%；人和小鼠1小时肝微粒体残留率分别为22.13%和7.34%；肝毒性LC50大于50μM【1】。
• 参考文献:

  [1]. Frankowski KJ, et al. Discovery of Small Molecule Kappa Opioid Receptor Agonist and Antagonist Chemotypes through a HTS and Hit Refinement Strategy. ACS Chem Neurosci. 2012;3(3):221-236.

ML 190物理化学性质

• 分子式: C₂₇H₃₂N₆O₃
• 分子量: 488.58
• 精确质量: 488.25400
• PSA: 84.11000
• LogP: 2.68850
• InChIKey: PMTIWRPLQBVEMR-UHFFFAOYSA-N
• SMILES: COc1ccc(N2CCN(CCCNC(=O)Cn3c(=O)c4cccn4c4c(C)ccnc43)CC2)cc1

ML 190靶点实验

查看更多实验

实验名称：Fluorescence-based biochemical high throughput primary assay to identify inhibitors o... 来源：The Scripps Research Institute Molecular Screening Center 靶标：Trypanosoma brucei RNA editing ligase 1 External Id：TBREL1_INH_FRET_1536_1X%INH PRUN

实验名称：Primary qHTS assay for small molecule inhibitors of Inositol hexaphosphate kinase 1 (... 来源：NCGC External Id：IP6K1-p1

实验名称：QFRET-based biochemical primary high throughput screening assay to identify exosite i... 来源：The Scripps Research Institute Molecular Screening Center 靶标：disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens] External Id：ADAM17_INH_QFRET_1536_1X%INH PRUN

实验名称：Permeability of the compound across blood brain barrier at pH 7.4 by PAMPA 来源：ChEMBL 靶标：N/A External Id：CHEMBL5114236

实验名称：Luminescence-based cell-based primary high throughput screening assay to identify act... 来源：The Scripps Research Institute Molecular Screening Center 靶标：TTR [Homo sapiens] External Id：TTR_ACT_LUMI_1536_1X%ACT PRUN

实验名称：Metabolic stability in human liver microsomes assessed as compound remaining after 1 ... 来源：ChEMBL 靶标：N/A External Id：CHEMBL5114237

实验名称：Cytochrome P450 family 3 subfamily A member 4 (CYP3A4) small molecule antagonists: lu... 来源：NCGC External Id：CYP3A4437

实验名称：Cytochrome P450 family 2 subfamily D member 6 (CYP2D6) small molecule antagonists: lu... 来源：NCGC External Id：CYP2D6395

实验名称：Fluorescence-based biochemical high throughput primary assay to identify inhibitors o... 来源：The Scripps Research Institute Molecular Screening Center 靶标：Phospholipase C, beta 3 (phosphatidylinositol-specific) [Homo sapiens] External Id：PLCB3_INH_QFRET_1536_1X%INH PRUN

实验名称：Cytochrome P450 family 2 subfamily C member 9 (CYP2C9) small molecule antagonists: lu... 来源：NCGC External Id：CYP2C9536

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ML 190英文别名

• ML 190
• GMQ hydrochloride