Name: GRK2-IN-1 hydrochloride (2055990-90-2 free base)
Rating: 5 (10 reviews)

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HIT ID:HIT212671305
Cas No:
常用名:GRK2-IN-1 hydrochloride (2055990-90-2 free base)
常用名:GRK2-IN-1 hydrochloride (2055990-90-2 free base)
别名:GRK2-IN-1 hydrochloride
IUPAC:5-[(3S,4R)-3-[(2H-1,3-benzodioxol-5-yloxy)methyl]piperidin-4-yl]-2-fluoro-N-[(1H-pyrazol-3-yl)methyl]benzamide hydrochloride
IUPAC:5-[(3S,4R)-3-[(2H-1,3-benzodioxol-5-yloxy)methyl]piperidin-4-yl]-2-fluoro-N-[(1H-pyrazol-3-yl)methyl]benzamide hydrochloride
InChI key:VKDHYIQOOJPZOE-QSVLQNJRSA-N

分子式:C24H26ClFN4O4
分子量:488.94
氢键供体数 (HBD):3
氢键受体数 (HBA):6
LogP:2.332694
SMILES:Cl.Fc1ccc(cc1C(=O)NCc1cc[nH]n1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
SMILES:Cl.Fc1ccc(cc1C(=O)NCc1cc[nH]n1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1

GRKs-IN-1 hydrochloride has remarkable potency against and selectivity for G protein-coupled receptor kinase 2 GRK2 (IC50: 130 nM) and GRK5 (IC50: 7.1 μM).

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