Name: PROTAC BRD9 Degrader-1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212080530
Cas No:2097971-01-0
常用名:PROTAC BRD9 Degrader-1
IUPAC:2-(4-{2-[N-(1,1-dioxo-1lambda6-thian-4-yl)carbamimidoyl]-5-methyl-4-oxo-4H,5H-thieno[3,2-c]pyridin-7-yl}-2-methoxyphenoxy)-N-[4-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamido)butyl]acetamide
IUPAC:2-(4-{2-[N-(1,1-dioxo-1lambda6-thian-4-yl)carbamimidoyl]-5-methyl-4-oxo-4H,5H-thieno[3,2-c]pyridin-7-yl}-2-methoxyphenoxy)-N-[4-(2-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]oxy}acetamido)butyl]acetamide
InChI key:LOLHUPGCPDURJG-UHFFFAOYSA-N

分子式:C42H45N7O12S2
分子量:903.98
氢键供体数 (HBD):5
氢键受体数 (HBA):14
LogP:-1.1975291
SMILES:COc1cc(ccc1OCC(=O)NCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)-c1cn(C)c(=O)c2cc(sc12)C(=N)NC1CCS(=O)(=O)CC1
SMILES:COc1cc(ccc1OCC(=O)NCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)-c1cn(C)c(=O)c2cc(sc12)C(=N)NC1CCS(=O)(=O)CC1

PROTAC BRD9 Degrader-1 is a leading PROTAC BRD9 chemical degrader with an IC50 of 13.5 nM.

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