Name: HBV/HDV-IN-4 hydrochloride
Rating: 5 (10 reviews)

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HIT ID:HIT218849637
Cas No:
常用名:HBV/HDV-IN-4 hydrochloride
IUPAC:{[(1-{4-[(6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-{[(2S)-but-3-en-2-yl]amino}-6-methyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-3-yl]phenyl}-N-methylformamido)carbonyl]oxy}methyl (2S)-2-amino-3-methylbutanoate hydrochloride
IUPAC:{[(1-{4-[(6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-{[(2S)-but-3-en-2-yl]amino}-6-methyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-3-yl]phenyl}-N-methylformamido)carbonyl]oxy}methyl (2S)-2-amino-3-methylbutanoate hydrochloride
InChI key:ZABADCVOURWLTR-GBDRILESSA-N

分子式:C35H39BrClF3N6O7
分子量:828.08
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.CC(C)[C@H](N)C(=O)OCOC(=O)N(C)C(=O)c1ccc(cc1)-n1c(N[C@@H](C)C=C)nc2CN([C@H](C)Cc2c1=O)C(=O)c1ccc(Br)c(c1)C(F)(F)F
SMILES:Cl.CC(C)[C@H](N)C(=O)OCOC(=O)N(C)C(=O)c1ccc(cc1)-n1c(N[C@@H](C)C=C)nc2CN([C@H](C)Cc2c1=O)C(=O)c1ccc(Br)c(c1)C(F)(F)F

HBV/HDV-IN-4 hydrochloride (Compd 4) 作为HBV与HDV的双重抑制剂，展示了在针对HBV的抑制上具有卓越的活性，其EC50值均低于50 nM。

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