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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H14F2N4S
Molecular Weight 320.36
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LY-2811376

SMILES

C[C@]1(CCSC(N)=N1)C2=CC(=C(F)C=C2F)C3=CN=CN=C3

InChI

InChIKey=MJQMRGWYPNIERM-HNNXBMFYSA-N
InChI=1S/C15H14F2N4S/c1-15(2-3-22-14(18)21-15)11-4-10(12(16)5-13(11)17)9-6-19-8-20-7-9/h4-8H,2-3H2,1H3,(H2,18,21)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H14F2N4S
Molecular Weight 320.36
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

LY2811376 is a non-peptide inhibitor of BACE1 selective over BACE2. It showed robust central reduction of amyloid-β in humans.

CNS Activity

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
240.0 nM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Overview

CYP3A4CYP2C9CYP2D6hERG

OverviewOther

Other InhibitorOther SubstrateOther Inducer

Drug as perpetrator​

PubMed

Sample Use Guides

In Vivo Use Guide
IN phase I studies LY2811376 was administered to healthy volunteers as oral capsules in a doses ranging from 5mg up to 500 mg once a day or twice a day for 1 day in up to 3 periods.
Route of Administration: Oral
In Vitro Use Guide
Human BACE1 was cloned, expressed, and purified, and assayed using a synthetic peptide in a FRET format or using a MBP–C125Swe polypeptide substrate assay.
Substance Class Chemical
Record UNII
UR18YJ97SJ
Record Status Validated (UNII)
Record Version