Name: QL47B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218848808
Cas No:1579278-92-4
常用名:QL47B
IUPAC:5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[(14E)-16-{6-[9-(1-methyl-1H-pyrazol-4-yl)-2-oxo-1H,2H-benzo[h]1,6-naphthyridin-1-yl]-2,3-dihydro-1H-indol-1-yl}-16-oxo-3,6,9-trioxa-12-azahexadec-14-en-1-yl]pentanamide
IUPAC:5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-[(14E)-16-{6-[9-(1-methyl-1H-pyrazol-4-yl)-2-oxo-1H,2H-benzo[h]1,6-naphthyridin-1-yl]-2,3-dihydro-1H-indol-1-yl}-16-oxo-3,6,9-trioxa-12-azahexadec-14-en-1-yl]pentanamide
InChI key:TVYCWMKORACVJH-DIIQYSFVSA-N

分子式:C46H55N9O7S
分子量:878.06
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCNC\C=C\C(=O)N3CCc4ccc(cc34)-n3c4c(ccc3=O)cnc3ccc(cc43)-c3cnn(C)c3)[C@@]1([H])NC(=O)N2
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)NCCOCCOCCOCCNC\C=C\C(=O)N3CCc4ccc(cc34)-n3c4c(ccc3=O)cnc3ccc(cc43)-c3cnn(C)c3)[C@@]1([H])NC(=O)N2

QL47 B is a biotinylated analogue of QL47 and a potent inhibitor of BTK, with an IC50 value of 1.3 μM. Additionally, QL47 B exhibits anti-tumor activity [1].

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