Name: Autotaxin-IN-1
Rating: 5 (10 reviews)

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HIT ID:HIT212669385
Cas No:1619971-30-0
常用名:Autotaxin-IN-1
IUPAC:1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-2-[2-(1H-1,2,3-triazol-5-yl)ethoxy]ethan-1-one
IUPAC:1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-6-yl}-2-[2-(1H-1,2,3-triazol-5-yl)ethoxy]ethan-1-one
InChI key:ILOFWCAZDNILKY-UHFFFAOYSA-N

分子式:C21H23N7O2
分子量:405.462
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:0.76870036
SMILES:O=C(COCCc1cnn[nH]1)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1
SMILES:O=C(COCCc1cnn[nH]1)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1

Autotaxin-IN-1 is a potent autotaxin inhibitor, which has favorable potency (IC50=2.2 nM), PK properties, and a robust PK/PD relationship and it is used in treatment of osteoarthritis pain[1].

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