Name: IDO/TDO-IN-1
Rating: 5 (10 reviews)

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HIT ID:HIT212671479
Cas No:2033173-01-0
常用名:IDO/TDO-IN-1
IUPAC:4-[(5S)-6-fluoro-5H-imidazo[4,3-a]isoindol-5-yl]-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]piperidine
IUPAC:4-[(5S)-6-fluoro-5H-imidazo[4,3-a]isoindol-5-yl]-1-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]piperidine
InChI key:UJGQDAMZVUNFBQ-VWLOTQADSA-N

分子式:C25H24FN5
分子量:413.5
氢键供体数 (HBD):0
氢键受体数 (HBA):3
LogP:4.052987
SMILES:Cn1cc(cn1)-c1ccc(cc1)N1CCC(CC1)[C@H]1c2c(cccc2F)-c2cncn12
SMILES:Cn1cc(cn1)-c1ccc(cc1)N1CCC(CC1)[C@H]1c2c(cccc2F)-c2cncn12

IDO/TDO-IN-1 is an orally active dual indoleamine-2,3-dioxygenase (IDO) and tryptophan 2,3-dioxygenase (TDO) inhibitor (IC50s: 9.7 and 47 nM).

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