Name: TAK-220
Rating: 5 (10 reviews)

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HIT ID:HIT212673360
Cas No:674782-27-5;333994-00-6
常用名:TAK-220
IUPAC:1-acetyl-N-(3-{4-[(4-carbamoylphenyl)methyl]piperidin-1-yl}propyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
IUPAC:1-acetyl-N-(3-{4-[(4-carbamoylphenyl)methyl]piperidin-1-yl}propyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
InChI key:ASSJTMUEFHUKMJ-UHFFFAOYSA-N

分子式:C31H41ClN4O3
分子量:553.14
氢键供体数 (HBD):1
氢键受体数 (HBA):4
LogP:3.5510108
SMILES:CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C(N)=O)CC1)c1ccc(C)c(Cl)c1
SMILES:CC(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C(N)=O)CC1)c1ccc(C)c(Cl)c1

TAK-220 is a selective and orally bioavailable CCR5 antagonist (IC50s: 3.5 nM and 1.4 nM for inhibition on the binding of RANTES and MIP-1α to CCR5, respectively).

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