INY-03-041 | AnyMole

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HIT212672348

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HIT212672348

HIT ID:HIT212672348
Cas No:
常用名:INY-03-041
IUPAC:3-[4-(10-{[(2S)-2-(4-chlorophenyl)-3-{4-[(5R,7R)-7-hydroxy-5-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}-3-oxopropyl]amino}decyl)-1-oxo-2,3-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione
IUPAC:3-[4-(10-{[(2S)-2-(4-chlorophenyl)-3-{4-[(5R,7R)-7-hydroxy-5-methyl-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}-3-oxopropyl]amino}decyl)-1-oxo-2,3-dihydro-1H-isoindol-2-yl]piperidine-2,6-dione
InChI key:GQGZWBDNMCIYSF-OZDCPDTESA-N

分子式:C44H56ClN7O5
分子量:798.43
氢键供体数 (HBD):3
氢键受体数 (HBA):9
LogP:5.867615
SMILES:C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNCCCCCCCCCCc3cccc4C(=O)N(Cc34)C3CCC(=O)NC3=O)c3ccc(Cl)cc3)c12
SMILES:C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNCCCCCCCCCCc3cccc4C(=O)N(Cc34)C3CCC(=O)NC3=O)c3ccc(Cl)cc3)c12

INY-03-041, a potent and highly selective PROTAC-based pan-AKT degrader, inhibits AKT1, AKT2, and AKT3 with IC50s of 2.0 nM, 6.8 nM, and 3.5 nM, respectively. This compound consists of the ATP-competitive AKT inhibitor GDC-0068 conjugated to Lenalidomide.

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