Name: AP5
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212686926
Cas No:1623194-37-5
常用名:AP5
IUPAC:(2S,3R)-3-cyclopropyl-3-[(2S)-2-[2-fluoro-4-(2-methoxypyridin-4-yl)phenyl]-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid
IUPAC:(2S,3R)-3-cyclopropyl-3-[(2S)-2-[2-fluoro-4-(2-methoxypyridin-4-yl)phenyl]-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid
InChI key:ABSKJGYIWZMOAF-UIJXRGEYSA-N

分子式:C28H28FNO4
分子量:461.533
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:6.0020456
SMILES:COc1cc(ccn1)-c1ccc([C@@H]2CCc3ccc(cc3O2)[C@@H]([C@H](C)C(O)=O)C2CC2)c(F)c1
SMILES:COc1cc(ccn1)-c1ccc([C@@H]2CCc3ccc(cc3O2)[C@@H]([C@H](C)C(O)=O)C2CC2)c(F)c1

AP5 is a potent and selective agonist for the GPR40 receptor with positive allosteric modulation of endogenous ligands (AgoPAM). AP5 demonstrates a rat hIP1 EC50 of 0.49 nM against the GPR40 receptor.

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