Name: PROTAC BET degrader-2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212080504
Cas No:2093388-33-9
常用名:PROTAC BET degrader-2
IUPAC:4-[(3-cyclopropyl-1-ethyl-1H-pyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-{3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-4-yl]propyl}-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
IUPAC:4-[(3-cyclopropyl-1-ethyl-1H-pyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-{3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-2,3-dihydro-1H-isoindol-4-yl]propyl}-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxamide
InChI key:LKCUEUQTTCOYPW-UHFFFAOYSA-N

分子式:C41H42N10O6
分子量:770.851
氢键供体数 (HBD):4
氢键受体数 (HBA):10
LogP:3.6372354
SMILES:CCn1nc(cc1Nc1nc(nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12)C(=O)NCCCc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)C1CC1
SMILES:CCn1nc(cc1Nc1nc(nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12)C(=O)NCCCc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)C1CC1

PROTAC BET degrader-2 is a highly potent degrader of Bromodomain and Extra-Terminal (BET) proteins, with an IC50 of 9.6 nM.

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