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Details

Stereochemistry ACHIRAL
Molecular Formula C23H29N7O3
Molecular Weight 451.5215
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LX-7101

SMILES

CN(C)C(=O)OC1=CC(NC(=O)C2(CN)CCN(CC2)C3=NC=NC4=C3C(C)=CN4)=CC=C1

InChI

InChIKey=PWPNYABQEOGNNC-UHFFFAOYSA-N
InChI=1S/C23H29N7O3/c1-15-12-25-19-18(15)20(27-14-26-19)30-9-7-23(13-24,8-10-30)21(31)28-16-5-4-6-17(11-16)33-22(32)29(2)3/h4-6,11-12,14H,7-10,13,24H2,1-3H3,(H,28,31)(H,25,26,27)

HIDE SMILES / InChI

Description

LX-7101 (Lexicon Pharmaceuticals) was advanced to Phase-I clinical trials for treatment open-angle glaucoma or ocular hypertension. This drug is a potent inhibitor of LIM-kinase 2 (LIMK2) kinase and inhibits to less extent LIMK1 and Rho-associated protein kinase 2 (ROCK2).

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
4.3 nM [IC50]
32.0 nM [IC50]
32.0 nM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown
Primary
Unknown

PubMed

Sample Use Guides

In Vivo Use Guide
Low dose LX7101: Days 1-3: once daily dose in study eye (eye with highest IOP); Days 4-7: once daily dose in study eye (eye with highest IOP) and fellow eye (other eye); Days 8-14: twice daily dose in study eye (eye with highest IOP) and fellow eye High dose LX7101: Days 1-3: once daily dose in study eye (eye with highest IOP); Days 4-7: once daily dose in study eye (eye with highest IOP) and fellow eye (other eye); Days 8-14: twice daily dose in study eye (eye with highest IOP) and fellow eye (other eye).
Route of Administration: Other
In Vitro Use Guide
In vitro assay was used to identify LIMK and ROCK inhibitors. For kinetic studies, the final LX7101concentrations varied from 0 to 100 nM.