Name: IDO1-IN-2
Rating: 5 (10 reviews)

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HIT ID:HIT212671480
Cas No:2346614-58-0
常用名:IDO1-IN-2
IUPAC:2-({4-[(Z)-N-[(7S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]-N'-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl}amino)-N-(2-hydroxyethyl)acetamide
IUPAC:2-({4-[(Z)-N-[(7S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]-N'-hydroxycarbamimidoyl]-1,2,5-oxadiazol-3-yl}amino)-N-(2-hydroxyethyl)acetamide
InChI key:OLPQNOYGDGMZSU-NSHDSACASA-N

分子式:C15H17FN6O4
分子量:364.337
氢键供体数 (HBD):5
氢键受体数 (HBA):8
LogP:-0.6184814
SMILES:OCCNC(=O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O
SMILES:OCCNC(=O)CNc1nonc1\C(N[C@H]1Cc2ccc(F)cc12)=N\O

IDO1-IN-2 is a potent and selective IDO1 inhibitor with IC50s of 81 nM, 59 nM (mouse), and 28 nM (rat), respectively. It has anti-cancer activity.

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