Name: LX-7101 hydrochloride
Rating: 5 (10 reviews)

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HIT ID:HIT212697331
Cas No:1374644-80-0
常用名:LX-7101 hydrochloride
别名:LX7101 hydrochloride, LX 7101 hydrochloride
别名:LX7101 hydrochloride, LX 7101 hydrochloride
IUPAC:3-[4-(aminomethyl)-1-{5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine-4-amido]phenyl N,N-dimethylcarbamate hydrochloride
IUPAC:3-[4-(aminomethyl)-1-{5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperidine-4-amido]phenyl N,N-dimethylcarbamate hydrochloride
InChI key:ZQRGQMCNRINKRN-UHFFFAOYSA-N

分子式:C23H30ClN7O3
分子量:487.99
氢键供体数 (HBD):3
氢键受体数 (HBA):6
LogP:2.1287239
SMILES:Cl.CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1
SMILES:Cl.CN(C)C(=O)Oc1cccc(NC(=O)C2(CN)CCN(CC2)c2ncnc3[nH]cc(C)c23)c1

LX7101 is a potent inhibitor of both LIM kinase (LIMK) 1 and 2, and Rho-associated kinase 1 (ROCK1) and ROCK2, with IC50 values of 32, 4.3, 69, and 32 nM, respectively. It is selective, demonstrated by its lack of cross-reactivity in a panel of binding assays involving 78 receptors, transporters, and an additional 430 kinases, at a concentration of 10 μM. The topical administration of LX7101 (3 μl of a 1 mg/ml solution) to the eye has been shown to reduce intraocular pressure in a dexamethasone-induced mouse model of glaucoma.

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