Name: ERK1/2 inhibitor 1
Rating: 5 (10 reviews)

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HIT ID:HIT212670769
Cas No:2095719-90-5
常用名:ERK1/2 inhibitor 1
IUPAC:(2R)-2-(6-{5-chloro-2-[(oxan-4-yl)amino]pyrimidin-4-yl}-1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]propanamide
IUPAC:(2R)-2-(6-{5-chloro-2-[(oxan-4-yl)amino]pyrimidin-4-yl}-1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]propanamide
InChI key:XHOJEECXVUMYMF-IQGLISFBSA-N

分子式:C29H32ClN5O4
分子量:550.06
氢键供体数 (HBD):3
氢键受体数 (HBA):7
LogP:2.9198663
SMILES:C[C@@H](N1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl)C(=O)N[C@H](CO)c1cccc(C)c1
SMILES:C[C@@H](N1Cc2ccc(cc2C1=O)-c1nc(NC2CCOCC2)ncc1Cl)C(=O)N[C@H](CO)c1cccc(C)c1

ERK1/2 inhibitor 1 is a potent, orally bioavailable ERK1/2 inhibitor, showing 60% inhibition at 1 nM and an IC50 of 3.0 nM against ERK1 and ERK2, respectively.

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