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Details

Stereochemistry ACHIRAL
Molecular Formula C5H11NO
Molecular Weight 101.1469
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOVALERAMIDE

SMILES

CC(C)CC(N)=O

InChI

InChIKey=SANOUVWGPVYVAV-UHFFFAOYSA-N
InChI=1S/C5H11NO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H2,6,7)

HIDE SMILES / InChI

Molecular Formula C5H11NO
Molecular Weight 101.1469
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Isovaleramide (also known as NPS 1776) is one of the active anticonvulsant constituents of Valeriana pavonii, it was suggested, isovaleramide can be a positive allosteric modulator of the GABAA receptor. This drug was studied in clinical trials for the treatment of A migraine, epilepsy and some others CNS disorders, but these studies were discontinued.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown
Primary
Unknown

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
single oral dose 400 mg
Route of Administration: Oral
In Vitro Use Guide
isovaleramide (300 µM) exhibited a 42% of inhibition of the binding of ³H-FNZ to its sites.
Substance Class Chemical
Record UNII
9CP4KB634M
Record Status Validated (UNII)
Record Version