Claficapavir | CAS 2055732-24-4 | AnyMole

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HIT106745910

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HIT106745910

HIT ID:HIT106745910
Cas No:2055732-24-4
常用名:Claficapavir
IUPAC:3-[(5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
IUPAC:3-[(5Z)-5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
InChI key:YZLFZFALAZYTCI-ZROIWOOFSA-N

分子式:C17H12ClNO4S2
分子量:393.86
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2)C1=O
SMILES:OC(=O)CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccc(Cl)cc2)C1=O

Claficapavir (A1752) is a potent nucleocapsid protein (NC) inhibitor that effectively binds the HIV-1 NC with a dissociation constant (Kd) of 20 nM, resulting in the inhibition of its chaperone properties. This specific molecular interaction leads to strong antiviral activity against HIV-1, with an IC50 of approximately 1 μM [1].

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