Name: Iralukast (CGP 45715A)
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214321432
Cas No:151581-24-7
常用名:Iralukast (CGP 45715A)
IUPAC:7-{[(1R,2S,3E,5Z)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]deca-3,5-dien-2-yl]sulfanyl}-4-oxo-4H-chromene-2-carboxylic acid
IUPAC:7-{[(1R,2S,3E,5Z)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]deca-3,5-dien-2-yl]sulfanyl}-4-oxo-4H-chromene-2-carboxylic acid
InChI key:IXJCHVMUTFCRBH-SDUHDBOFSA-N

分子式:C38H37F3O8S
分子量:710.76
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCCc1c(O)c(ccc1OCCCC\C=C/C=C/[C@H](Sc1ccc2c(c1)oc(cc2=O)C(O)=O)[C@H](O)c1cccc(c1)C(F)(F)F)C(C)=O
SMILES:CCCc1c(O)c(ccc1OCCCC\C=C/C=C/[C@H](Sc1ccc2c(c1)oc(cc2=O)C(O)=O)[C@H](O)c1cccc(c1)C(F)(F)F)C(C)=O

Iralukast is a cysteinyl-leukotriene antagonist (CysLT) with a pKi of 7.8 for CysLT1.

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