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

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结构编辑

类似物检索

HIT ID:HIT212080508
Cas No:
常用名:PROTAC ERα Degrader-1
IUPAC:(2S)-N-[(3S,4S)-7-cyano-5-(4-{[2-(2-{[(2-{4-[(1Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)(methyl)carbamoyl]methoxy}ethoxy)ethyl]carbamoyl}benzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]-2-(methylamino)propanamide
IUPAC:(2S)-N-[(3S,4S)-7-cyano-5-(4-{[2-(2-{[(2-{4-[(1Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)(methyl)carbamoyl]methoxy}ethoxy)ethyl]carbamoyl}benzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]-2-(methylamino)propanamide
InChI key:SNBOCOFSYPHJLP-XJQCFLMPSA-N

分子式:C66H69N7O10
分子量:1120.317
氢键供体数 (HBD):4
氢键受体数 (HBA):12
LogP:7.5239825
SMILES:CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)COCCOCCNC(=O)c2ccc(cc2)C(=O)N2[C@@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4ccccc34)c3ccc(cc23)C#N)cc1)c1ccccc1
SMILES:CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C(=O)COCCOCCNC(=O)c2ccc(cc2)C(=O)N2[C@@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc3c(OC)ccc4ccccc34)c3ccc(cc23)C#N)cc1)c1ccccc1

PROTAC ERα Degrader-1 is a chemical compound. It consists of a ubiquitin E3 ligase binding group, a linker, and a protein binding group. This compound serves as a degrader of estrogen receptor-alpha (ERα).

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