Name: ATC 0175
Rating: 5 (10 reviews)

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HIT ID:HIT212708872
Cas No:510733-97-8
常用名:ATC 0175
别名:ATC0175
IUPAC:3,4-difluoro-N-[(1s,4s)-4-{[4-(dimethylamino)quinazolin-2-yl]amino}cyclohexyl]benzamide hydrochloride
IUPAC:3,4-difluoro-N-[(1s,4s)-4-{[4-(dimethylamino)quinazolin-2-yl]amino}cyclohexyl]benzamide hydrochloride
InChI key:HUUPKFUYSQNNLO-FAESNJTISA-N

分子式:C23H26ClF2N5O
分子量:461.94
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:4.5432234
SMILES:Cl.CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |wU:11.13,8.6,(13,,;3.48,-2.91,;4.82,-2.14,;6.15,-2.91,;4.82,-.6,;3.48,.17,;3.48,1.71,;2.15,2.48,;.82,1.71,;-.52,2.48,;-1.85,1.71,;-1.85,.17,;-.52,-.6,;.82,.17,;-3.18,-.6,;-4.52,.17,;-4.52,1.71,;-5.85,-.6,;-5.85,-2.14,;-7.18,-2.91,;-8.52,-2.14,;-9.85,-2.91,;-8.52,-.6,;-9.85,.17,;-7.18,.17,;4.82,2.48,;6.15,1.71,;7.49,2.48,;8.82,1.71,;8.82,.17,;7.49,-.6,;6.15,.17,)|
SMILES:Cl.CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc2ccccc12 |wU:11.13,8.6,(13,,;3.48,-2.91,;4.82,-2.14,;6.15,-2.91,;4.82,-.6,;3.48,.17,;3.48,1.71,;2.15,2.48,;.82,1.71,;-.52,2.48,;-1.85,1.71,;-1.85,.17,;-.52,-.6,;.82,.17,;-3.18,-.6,;-4.52,.17,;-4.52,1.71,;-5.85,-.6,;-5.85,-2.14,;-7.18,-2.91,;-8.52,-2.14,;-9.85,-2.91,;-8.52,-.6,;-9.85,.17,;-7.18,.17,;4.82,2.48,;6.15,1.71,;7.49,2.48,;8.82,1.71,;8.82,.17,;7.49,-.6,;6.15,.17,)|

ATC 0175 hydrochloride 是一种具有口服活性的黑色素细胞浓缩激素1受体拮抗剂，具有强效性和选择性，ATC 0175 hydrochloride 对MCH1R、MCH2R、MCH1、5-HT2B 受体和5-HT1A 受体具有亲和力，IC50分别为为13.5nM、>10,000 nM、13 nM、9.66 nM 和16.9 nM。ATC 0175 hydrochloride 在动物模型中表现出抗抑郁和抗焦虑作用。ATC0175可用于研究抑郁症和/或焦虑症。

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