Name: Pradigastat
Rating: 5 (10 reviews)

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HIT ID:HIT212673010
Cas No:956136-95-1
常用名:Pradigastat
别名:普加司他, LCQ908-NXA, LCQ908A, LCQ-908, ANJ908
别名:普加司他, LCQ908-NXA, LCQ908A, LCQ-908, ANJ908
IUPAC:2-[(1r,4r)-4-[4-(5-{[6-(trifluoromethyl)pyridin-3-yl]amino}pyridin-2-yl)phenyl]cyclohexyl]acetic acid
IUPAC:2-[(1r,4r)-4-[4-(5-{[6-(trifluoromethyl)pyridin-3-yl]amino}pyridin-2-yl)phenyl]cyclohexyl]acetic acid
InChI key:GXALXAKNHIROPE-QAQDUYKDSA-N

分子式:C25H24F3N3O2
分子量:455.481
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:5.2777114
SMILES:OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(Nc2ccc(nc2)C(F)(F)F)cn1 |wU:4.3,wD:7.10,(9.34,-5.39,;10.67,-4.62,;10.67,-3.08,;12,-5.39,;12,-6.93,;13.34,-7.7,;13.34,-9.24,;12,-10.01,;10.67,-9.24,;10.67,-7.7,;12,-11.55,;13.34,-12.32,;13.34,-13.86,;12,-14.63,;10.67,-13.86,;10.67,-12.32,;12,-16.17,;10.67,-16.94,;10.67,-18.48,;12,-19.25,;12,-20.79,;10.67,-21.56,;10.67,-23.1,;9.34,-23.87,;8,-23.1,;8,-21.56,;9.34,-20.79,;6.67,-23.87,;5.33,-24.64,;5.9,-22.54,;7.44,-25.2,;13.34,-18.48,;13.34,-16.94,)|
SMILES:OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1ccc(Nc2ccc(nc2)C(F)(F)F)cn1 |wU:4.3,wD:7.10,(9.34,-5.39,;10.67,-4.62,;10.67,-3.08,;12,-5.39,;12,-6.93,;13.34,-7.7,;13.34,-9.24,;12,-10.01,;10.67,-9.24,;10.67,-7.7,;12,-11.55,;13.34,-12.32,;13.34,-13.86,;12,-14.63,;10.67,-13.86,;10.67,-12.32,;12,-16.17,;10.67,-16.94,;10.67,-18.48,;12,-19.25,;12,-20.79,;10.67,-21.56,;10.67,-23.1,;9.34,-23.87,;8,-23.1,;8,-21.56,;9.34,-20.79,;6.67,-23.87,;5.33,-24.64,;5.9,-22.54,;7.44,-25.2,;13.34,-18.48,;13.34,-16.94,)|

Pradigastat (LCQ-908) 是一种具有口服活性、有效性和选择性的二酰基甘油酰基转移酶 1 (DGAT1) 抑制剂，可用于治疗便秘，可用于研究肥胖和糖尿病。

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