Name: LAS191859
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212713049
Cas No:1420071-13-1
常用名:LAS191859
别名:LAS-191859, LAS 191859
IUPAC:2-(1-{2-[(1-cyclopropyl-N-ethylformamido)methyl]-4-(trifluoromethyl)phenyl}-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
IUPAC:2-(1-{2-[(1-cyclopropyl-N-ethylformamido)methyl]-4-(trifluoromethyl)phenyl}-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
InChI key:KGBYKYDRYYERIX-UHFFFAOYSA-N

分子式:C24H24F3N3O3
分子量:459.469
氢键供体数 (HBD):1
氢键受体数 (HBA):4
LogP:3.3730724
SMILES:CCN(Cc1cc(ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(F)(F)F)C(=O)C1CC1
SMILES:CCN(Cc1cc(ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(F)(F)F)C(=O)C1CC1

LAS191859 is a CRTH2/DP2 antagonist with IC50 values of 7.6, 9.58, 14 and 15.5nM for recombinant guinea pig, human, rat and mouse CRTH2/DP2 receptors, respectively. LAS191859 has a residence time half-life of 21h at CRTh2 that translates into a long-lasting in vivo efficacy that is independent of plasma levels

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