Name: Ipatasertib-NH2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212667814
Cas No:1001382-14-4
常用名:Ipatasertib-NH2
别名:RG7440-NH2, GDC-0068-NH2
IUPAC:(2S)-3-amino-2-(4-chlorophenyl)-1-{4-[(5R,7R)-7-hydroxy-5-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
IUPAC:(2S)-3-amino-2-(4-chlorophenyl)-1-{4-[(5R,7R)-7-hydroxy-5-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
InChI key:FKWGZLUCQAOQDJ-KBRIMQKVSA-N

分子式:C21H26ClN5O2
分子量:415.92
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:1.7175232
SMILES:C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CN)c3ccc(Cl)cc3)c12
SMILES:C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CN)c3ccc(Cl)cc3)c12

Ipatasertib-NH2 (GDC-0068-NH2;RG7440-NH2) is a ligand for the target protein AKT used in PROTAC, binding to lenalidomide, a ligand of ubiquitin E3 ligase cereblon (CRBN), via a ten-hydrocarbon linker to form INY-03-041 for AKT degradation[1].

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