Name: Ralinepag
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT211989705
Cas No:1187856-49-0
常用名:Ralinepag
别名:APD811
IUPAC:2-{[(1r,4r)-4-({[(4-chlorophenyl)(phenyl)carbamoyl]oxy}methyl)cyclohexyl]methoxy}acetic acid
IUPAC:2-{[(1r,4r)-4-({[(4-chlorophenyl)(phenyl)carbamoyl]oxy}methyl)cyclohexyl]methoxy}acetic acid
InChI key:NPDKXVKJRHPDQT-IYARVYRRSA-N

分子式:C23H26ClNO5
分子量:431.91
氢键供体数 (HBD):1
氢键受体数 (HBA):6
LogP:6.48
SMILES:OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 |wU:6.5,wD:9.9,(16.28,-8,;14.95,-7.22,;14.95,-5.69,;13.61,-8,;12.27,-7.22,;10.94,-8,;9.61,-7.22,;8.28,-8,;6.95,-7.22,;6.95,-5.69,;5.61,-4.92,;4.27,-5.69,;2.94,-4.92,;2.94,-3.38,;1.6,-5.69,;.28,-4.92,;.28,-3.38,;-1.05,-2.61,;-2.39,-3.38,;-2.39,-4.93,;-1.05,-5.69,;1.6,-7.22,;.27,-8,;.28,-9.54,;1.6,-10.3,;1.6,-11.84,;2.94,-9.53,;2.94,-8,;8.28,-4.92,;9.61,-5.69,)|
SMILES:OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 |wU:6.5,wD:9.9,(16.28,-8,;14.95,-7.22,;14.95,-5.69,;13.61,-8,;12.27,-7.22,;10.94,-8,;9.61,-7.22,;8.28,-8,;6.95,-7.22,;6.95,-5.69,;5.61,-4.92,;4.27,-5.69,;2.94,-4.92,;2.94,-3.38,;1.6,-5.69,;.28,-4.92,;.28,-3.38,;-1.05,-2.61,;-2.39,-3.38,;-2.39,-4.93,;-1.05,-5.69,;1.6,-7.22,;.27,-8,;.28,-9.54,;1.6,-10.3,;1.6,-11.84,;2.94,-9.53,;2.94,-8,;8.28,-4.92,;9.61,-5.69,)|

Ralinepag (APD811) 是一种可口服的非前列腺素前列环素 (IP) 受体激动剂，对人和大鼠 IP 受体以及人 DP1 受体的 EC50 分别为 8.5、530 和 850 nM。

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