Name: Z-WEHD-FMK
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315293
Cas No:210345-00-9
常用名:Z-WEHD-FMK
IUPAC:methyl (3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(1H-indol-3-yl)propanamido]-5-methoxy-5-oxopentanamido]-3-(1H-imidazol-5-yl)propanamido]-5-fluoro-4-oxopentanoate
IUPAC:methyl (3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(1H-indol-3-yl)propanamido]-5-methoxy-5-oxopentanamido]-3-(1H-imidazol-5-yl)propanamido]-5-fluoro-4-oxopentanoate
InChI key:NLZNSSWGRVBWIX-KRCBVYEFSA-N

分子式:C37H42FN7O10
分子量:763.78
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC(=O)CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)OC)C(=O)CF
SMILES:COC(=O)CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)OC)C(=O)CF

Z-WEHD-FMK is a cell-permeable and irreversible inhibitor of caspase-1/5. It also shows a robust inhibitory effect on cathepsin B activity (IC50: 6 μM).

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