Name: SB-277011
Rating: 5 (10 reviews)

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HIT ID:HIT212670339
Cas No:215803-78-4
常用名:SB-277011
别名:SB-277011A
IUPAC:N-[(1r,4r)-4-[2-(6-cyano-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]cyclohexyl]quinoline-4-carboxamide
IUPAC:N-[(1r,4r)-4-[2-(6-cyano-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]cyclohexyl]quinoline-4-carboxamide
InChI key:OLWRVVHPJFLNPW-LSNLESRRSA-N

分子式:C28H30N4O
分子量:438.575
氢键供体数 (HBD):1
氢键受体数 (HBA):4
LogP:4.628601
SMILES:O=C(N[C@H]1CC[C@H](CCN2CCc3cc(ccc3C2)C#N)CC1)c1ccnc2ccccc12 |wU:6.6,wD:3.2,(-8,-7.7,;-9.34,-6.93,;-9.34,-5.39,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;-5.33,-3.08,;-4,-2.31,;-2.67,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;,-3.08,;5.33,,;6.67,.77,;-6.67,-2.31,;-8,-3.08,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-14.67,-5.39,;-13.34,-4.62,;-12,-5.39,;-12,-6.93,)|
SMILES:O=C(N[C@H]1CC[C@H](CCN2CCc3cc(ccc3C2)C#N)CC1)c1ccnc2ccccc12 |wU:6.6,wD:3.2,(-8,-7.7,;-9.34,-6.93,;-9.34,-5.39,;-8,-4.62,;-6.67,-5.39,;-5.33,-4.62,;-5.33,-3.08,;-4,-2.31,;-2.67,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;,-3.08,;5.33,,;6.67,.77,;-6.67,-2.31,;-8,-3.08,;-10.67,-7.7,;-10.67,-9.24,;-12,-10.01,;-13.34,-9.24,;-13.34,-7.7,;-14.67,-6.93,;-14.67,-5.39,;-13.34,-4.62,;-12,-5.39,;-12,-6.93,)|

SB-277011 (SB-277011A) 是多巴胺 D3 受体的特异性拮抗剂，对 D3 受体、D2 受体、5-HT1D 和 5-HT1B 的 pKi 值分别为 8.0、6.0、5.0 和 <5.2。

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