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Details

Stereochemistry ACHIRAL
Molecular Formula C28H25FN6O3
Molecular Weight 512.5349
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LY-2090314

SMILES

FC1=CC2=C3N(CCN(C2)C(=O)N4CCCCC4)C=C(C3=C1)C5=C(C(=O)NC5=O)C6=CN=C7C=CC=CN67

InChI

InChIKey=HRJWTAWVFDCTGO-UHFFFAOYSA-N
InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)

HIDE SMILES / InChI

Description

LY-2090314 is a GSK-3alpha and GSK-3beta inhibitor developed by Eli Lilly. Phase 2 clinical trials of LY-2090314 as a signle agenst against acute leukemia did not show clinical benefit. LY-2090314 was studied in combination pemetrexed and carboplatin against solid tumors, and in combination with FOLFOX, gemcitabine, and nab-paclitaxel against pancreatic cancer.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
1.5 nM [IC50]
0.9 nM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown
Primary
Unknown
Primary
Unknown

Cmax

ValueDoseCo-administeredAnalytePopulation
603 ng/mL
40 mg single, intravenous
LY-2090314 plasma
Homo sapiens
1700 ng/mL
120 mg single, intravenous
LY-2090314 plasma
Homo sapiens

AUC

ValueDoseCo-administeredAnalytePopulation
976 ng × h/mL
40 mg single, intravenous
LY-2090314 plasma
Homo sapiens
3310 ng × h/mL
120 mg single, intravenous
LY-2090314 plasma
Homo sapiens

T1/2

ValueDoseCo-administeredAnalytePopulation
3.15 h
40 mg single, intravenous
LY-2090314 plasma
Homo sapiens
2.97 h
120 mg single, intravenous
LY-2090314 plasma
Homo sapiens

Funbound

ValueDoseCo-administeredAnalytePopulation
1%
40 mg single, intravenous
LY-2090314 plasma
Homo sapiens

PubMed

Sample Use Guides

In Vivo Use Guide
In clinical trial agaisnt AML 40mg LY2090314 was administered intravenously on days 1, 8 and 15 of a 28 day cycle.
Route of Administration: Intravenous
In Vitro Use Guide
Inhibition of GSK3-alpha was determined in biochemical assay. A standard filter binding protocol was used measuring the ability of recombinant GSK3-alpha to phosphorylate phospho-CREB (cAMP response element binding protein) at serine-129 with ATP[gamma-33P] in the presence of test compound.