Name: Pancreatic lipase/Carboxylesterase 1-IN-1
Rating: 5 (10 reviews)

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HIT ID:HIT214432809
Cas No:194235-21-7
常用名:Pancreatic lipase/Carboxylesterase 1-IN-1
常用名:Pancreatic lipase/Carboxylesterase 1-IN-1
IUPAC:(4aS,6aS,6bR,8aR,12aR,12bR,14bS)-11-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,12a,12b,13,14b-octadecahydropicene-4a-carboxylic acid
IUPAC:(4aS,6aS,6bR,8aR,12aR,12bR,14bS)-11-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,12a,12b,13,14b-octadecahydropicene-4a-carboxylic acid
InChI key:OQLDDXDMTOPTDO-QRARIYCASA-N

分子式:C30H44O4
分子量:468.678
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=C(O)C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O
SMILES:[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=C(O)C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O

Pancreatic lipase/Carboxylesterase 1-IN-1 (Compound 39) 是一种有效的、双重的胰脂酶 (PL) 和人羧酸酯酶 1A (hCES1A) 抑制剂，作用于 PL (IC50: 2.13 μM) 和 hCES1A (IC50: 0.055 μM)。

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