Name: Desmethyl cariprazine
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212708503
Cas No:839712-15-1
常用名:Desmethyl cariprazine
IUPAC:3-methyl-1-[(1r,4r)-4-{2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl}cyclohexyl]urea
IUPAC:3-methyl-1-[(1r,4r)-4-{2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl}cyclohexyl]urea
InChI key:WMQLLTKSISGWHQ-WKILWMFISA-N

分子式:C20H30Cl2N4O
分子量:413.39
氢键供体数 (HBD):2
氢键受体数 (HBA):3
LogP:3.8327737
SMILES:CNC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |wU:8.8,wD:5.4,(,-4.62,;1.33,-5.39,;1.33,-6.93,;,-7.7,;2.67,-7.7,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-14.63,;4,-16.17,;5.33,-16.94,;5.33,-18.48,;4,-19.25,;2.67,-18.48,;2.67,-16.94,;4,-20.79,;5.33,-21.56,;5.33,-23.1,;4,-23.87,;2.67,-23.1,;1.33,-23.87,;2.67,-21.56,;1.33,-20.79,;4,-11.55,;4,-10.01,)|
SMILES:CNC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |wU:8.8,wD:5.4,(,-4.62,;1.33,-5.39,;1.33,-6.93,;,-7.7,;2.67,-7.7,;2.67,-9.24,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-14.63,;4,-16.17,;5.33,-16.94,;5.33,-18.48,;4,-19.25,;2.67,-18.48,;2.67,-16.94,;4,-20.79,;5.33,-21.56,;5.33,-23.1,;4,-23.87,;2.67,-23.1,;1.33,-23.87,;2.67,-21.56,;1.33,-20.79,;4,-11.55,;4,-10.01,)|

Desmethyl cariprazine is a Cariprazine active metabolite. Cariprazine, an antipsychotic drug candidate, shows a high affinity for the D3 (Ki: 0.085 nM) and D2 (Ki: 0.49 nM) receptors, and moderate affinity for the 5-HT1A receptor (2.6 nM).

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