CHEMBL333994

• 常用名: CHEMBL333994
• 英文名: 1H-Indole-2-carboxamide, N-[(3R)-1-(2-fluorophenyl)-3,4,6,7-tetrahydro-4-oxopyrrolo[3,2,1-jk][1,4]benzodiazepin-3-yl]
• CAS号: 167820-10-2
• 分子量: 438.453
• 密度: 1.5±0.1 g/cm3
• 沸点: 759.3±60.0 °C at 760 mmHg
• 分子式: C₂₆H₁₉FN₄O₂
• 熔点: N/A
• 闪点: 413.0±32.9 °C

CHEMBL333994用途

CHEMBL333994 是一种有口服活性的,缩胆囊素 A (CCK-A) 的有效拮抗剂,其 IC50 值为 0.67 nM。

CHEMBL333994名称

• 中文名: CHEMBL333994
• 英文名: N-[(3R)-1-(2-Fluorophenyl)-4-oxo-3,4,6,7-tetrahydro[1,4]diazepino[6,7,1-hi]indol-3-yl]-1H-indole-2-carboxamide

CHEMBL333994生物活性

• 描述: CHEMBL333994 是一种有口服活性的,缩胆囊素 A (CCK-A) 的有效拮抗剂,其 IC50 值为 0.67 nM。
• 相关类别:
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 胆囊收缩素受体
  研究领域 >> 其他
• 靶点实验:

  IC50: 0.67 nM(CCK-A)[1].

• 参考文献:

  [1]. Satoh Y, et al. Studies on a novel, potent and orally effective cholecystokinin A antagonist, FK-480. Synthesis and structure-activity relationships of FK-480 and related compounds. Chem Pharm Bull (Tokyo). 1994 Oct;42(10):2071-83.

CHEMBL333994物理化学性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 759.3±60.0 °C at 760 mmHg
• 分子式: C₂₆H₁₉FN₄O₂
• 分子量: 438.453
• 闪点: 413.0±32.9 °C
• 精确质量: 438.149200
• LogP: 3.56
• InChIKey: WKJDXKWFGJWGAS-DEOSSOPVSA-N
• SMILES: O=C(NC1N=C(c2ccccc2F)c2cccc3c2N(CC3)C1=O)c1cc2ccccc2[nH]1
• 蒸汽压: 0.0±2.6 mmHg at 25°C
• 折射率: 1.740

CHEMBL333994靶点实验

查看更多实验

实验名称：Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression 来源：NCGC External Id：SNCA-p-activity-luciferase

实验名称：Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu... 来源：824 External Id：CYP273

实验名称：p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree... 来源：824 靶标：N/A External Id：P53600

实验名称：p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce... 来源：824 靶标：N/A External Id：P53MS958

实验名称：p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary 来源：824 External Id：P53MS482

实验名称：p53 small molecule agonists, cell-based qHTS assay 来源：824 External Id：P53344

实验名称：p53 small molecule agonists, cell-based qHTS assay with human liver microsomes 来源：824 靶标：tumor suppressor p53 [Homo sapiens] External Id：P53MS233

实验名称：p53 small molecule agonists, cell-based qHTS assay with human liver microsomes: qHTS ... 来源：824 靶标：N/A External Id：P53MS837

实验名称：p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes 来源：824 靶标：tumor suppressor p53 [Homo sapiens] External Id：P53MS898

实验名称：Primary qHTS to identify gynecologic anti-cancer compounds using libraries of approve... 来源：NCGC 靶标：N/A External Id：OBG420

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CHEMBL333994英文别名

• N-[(3R)-1-(2-Fluorophenyl)-4-oxo-3,4,6,7-tetrahydro[1,4]diazepino[6,7,1-hi]indol-3-yl]-1H-indole-2-carboxamide