Name: AHR antagonist 5
Rating: 5 (10 reviews)

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HIT ID:HIT212686837
Cas No:2247953-39-3
常用名:AHR antagonist 5
IUPAC:(3R)-N-[2-(5-fluoropyridin-3-yl)-8-(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine trihydrochloride
IUPAC:(3R)-N-[2-(5-fluoropyridin-3-yl)-8-(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine trihydrochloride
InChI key:SRGGKFXUJGRKIJ-NMRXSTGRSA-N

分子式:C25H27Cl3FN7
分子量:550.89
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:5.204781
SMILES:Cl.Cl.Cl.CC(C)c1cnn2c(N[C@@H]3CCc4[nH]c5ccccc5c4C3)nc(nc12)-c1cncc(F)c1
SMILES:Cl.Cl.Cl.CC(C)c1cnn2c(N[C@@H]3CCc4[nH]c5ccccc5c4C3)nc(nc12)-c1cncc(F)c1

AHR antagonist 5 is a potent and orally active aryl hydrocarbon receptor (AHR) antagonist(example 39; IC50 < 0.5 μΜ). It significantly inhibits tumor growth combined with checkpoint inhibitor anti-PD-1.

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