(4S)-5-cyclohexyl-2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-[[(2S)-2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]pent-4-enoyl]amino]-3-oxopentanamide

• 常用名: (4S)-5-cyclohexyl-2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-[[(2S)-2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]pent-4-enoyl]amino]-3-oxopentanamide
• 英文名: (4S)-5-cyclohexyl-2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-[[(2S)-2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]pent-4-enoyl]amino]-3-oxopentanamide
• CAS号: 137302-35-3
• 分子量: 754.9
• 密度: N/A
• 沸点: N/A
• 分子式: C₃₅H₅₂F₂N₆O₈S
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: (4S)-5-cyclohexyl-2,2-difluoro-N-(2-morpholin-4-ylethyl)-4-[[(2S)-2-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]pent-4-enoyl]amino]-3-oxopentanamide

物理化学性质

• 分子式: C₃₅H₅₂F₂N₆O₈S
• 分子量: 754.9
• InChIKey: MQDDTALXSBQTQP-DTXPUJKBSA-N
• SMILES: C=CCC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1

靶点实验

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实验名称：Human cathepsin D (A1: Pepsin) 来源：IUPHAR-DB 靶标：cathepsin D (A1: Pepsin) [Homo sapiens] External Id：2345_Human

实验名称：Ratio between IC50 cathepsin vs IC50 renin 来源：ChEMBL 靶标：N/A External Id：CHEMBL657338

实验名称：The concentration producing 50% inhibition of renin activity in monkey plasma was det... 来源：ChEMBL 靶标：Renin External Id：CHEMBL801758

实验名称：Inhibitory activity against bovine Cathepsin D 来源：ChEMBL 靶标：Cathepsin D External Id：CHEMBL660148

实验名称：Binding affinity against human gastricsin 来源：ChEMBL 靶标：Gastricsin External Id：CHEMBL680910

实验名称：Binding affinity against human cathepsin D 来源：ChEMBL 靶标：Cathepsin D External Id：CHEMBL662653

实验名称：log P value at a pH of 7.4 来源：ChEMBL 靶标：N/A External Id：CHEMBL633712

实验名称：Inhibitory activity against monkey renin 来源：ChEMBL 靶标：Renin External Id：CHEMBL801753

实验名称：Binding affinity against human cathepsin E 来源：ChEMBL 靶标：Cathepsin E External Id：CHEMBL661022

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