Name: PROTAC BET Degrader-10
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322910
Cas No:1957234-97-7
常用名:PROTAC BET Degrader-10
IUPAC:6-{2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamido}-N-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]methyl}hexanamide
IUPAC:6-{2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamido}-N-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]methyl}hexanamide
InChI key:KVKRYCAWRGWYNN-MBMZGMDYSA-N

分子式:C39H39ClN8O6S
分子量:783.3
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1nnc2[C@H](CC(=O)NCCCCCC(=O)NCc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:41|
SMILES:Cc1nnc2[C@H](CC(=O)NCCCCCC(=O)NCc3cccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c34)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |c:41|

PROTAC BET Degrader-10 (WO2017007612A1, example 37) is a highly efficient and selective small molecule compound designed to degrade BET protein BRD4. PROTAC BET Degrader-10 functions by utilizing specific ligands that connect Cereblon and BRD4, with a DC 50 value of 49 nM.

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