Name: Atovaquone
Rating: 5 (10 reviews)

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HIT ID:HIT211751155
Cas No:95233-18-4
常用名:Atovaquone
别名:阿托伐醌, Atavaquone
IUPAC:2-hydroxy-3-[(1r,4r)-4-(4-chlorophenyl)cyclohexyl]-1,4-dihydronaphthalene-1,4-dione
IUPAC:2-hydroxy-3-[(1r,4r)-4-(4-chlorophenyl)cyclohexyl]-1,4-dihydronaphthalene-1,4-dione
InChI key:KUCQYCKVKVOKAY-CTYIDZIISA-N

分子式:C22H19ClO3
分子量:366.84
氢键供体数 (HBD):1
氢键受体数 (HBA):3
LogP:6.351000000000000e+000
SMILES:[H][C@@]1(CC[C@@]([H])(CC1)c1ccc(Cl)cc1)C1=C(O)C(=O)c2ccccc2C1=O |wU:1.0,wD:4.4,c:17,(-.68,-1.52,;-.68,.02,;.65,-.75,;1.98,0,;2,1.54,;3.33,.77,;.65,2.33,;-.68,1.56,;3.33,2.31,;3.34,3.85,;4.67,4.6,;6,3.82,;7.35,4.59,;6,2.28,;4.66,1.52,;-2.01,-.74,;-2.01,-2.29,;-.68,-3.06,;-3.36,-3.06,;-3.36,-4.6,;-4.69,-2.28,;-6.02,-3.06,;-7.35,-2.29,;-7.35,-.74,;-6.02,.03,;-4.69,-.74,;-3.36,.04,;-3.36,1.58,)|
SMILES:[H][C@@]1(CC[C@@]([H])(CC1)c1ccc(Cl)cc1)C1=C(O)C(=O)c2ccccc2C1=O |wU:1.0,wD:4.4,c:17,(-.68,-1.52,;-.68,.02,;.65,-.75,;1.98,0,;2,1.54,;3.33,.77,;.65,2.33,;-.68,1.56,;3.33,2.31,;3.34,3.85,;4.67,4.6,;6,3.82,;7.35,4.59,;6,2.28,;4.66,1.52,;-2.01,-.74,;-2.01,-2.29,;-.68,-3.06,;-3.36,-3.06,;-3.36,-4.6,;-4.69,-2.28,;-6.02,-3.06,;-7.35,-2.29,;-7.35,-.74,;-6.02,.03,;-4.69,-.74,;-3.36,.04,;-3.36,1.58,)|

Atovaquone (Atavaquone) 是具有口服活性的选择性寄生虫线粒体细胞色素bc1复合物的抑制剂。它抑制人类和P. falciparum 细胞色素bc1活性，IC50值分别为 460 nM 和 2.0 nM。它有抗疟作用，有潜力用于疟疾、弓形体病、肺孢子虫肺炎和巴贝斯虫病的相关研究。

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