Name: KRH-3955 hydrochloride
Rating: 5 (10 reviews)

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HIT ID:HIT214323268
Cas No:2253744-59-9
常用名:KRH-3955 hydrochloride
IUPAC:{[4-({[4-(dipropylamino)butyl](methyl)amino}methyl)phenyl]methyl}[(1H-imidazol-2-yl)methyl][(1-methyl-1H-imidazol-2-yl)methyl]amine trihydrochloride
IUPAC:{[4-({[4-(dipropylamino)butyl](methyl)amino}methyl)phenyl]methyl}[(1H-imidazol-2-yl)methyl][(1-methyl-1H-imidazol-2-yl)methyl]amine trihydrochloride
InChI key:KLPOLRXJKIOFIQ-UHFFFAOYSA-N

分子式:C28H48Cl3N7
分子量:589.09
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.Cl.Cl.CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1
SMILES:Cl.Cl.Cl.CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1

KRH-3955 hydrochloride is a CXCR4 antagonist with oral bioavailability. It effectively inhibits the binding of SDF-1α to CXCR4, exhibiting an IC 50 of 0.61 nM. Additionally, KRH-3955 hydrochloride displays high potency and selectivity as an inhibitor of X4 HIV-1, with an EC 50 ranging from 0.3 to 1.0 nM.

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