GIV3727

Ligand id: 9112

Name: GIV3727

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 37.3
Molecular weight 198.16
XLogP 4.81
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-(2,2,3-trimethylcyclopentyl)butanoic acid
Database Links
PubChem CID 25099817
Search Google for chemical match using the InChIKey LYFXCRCUENNESS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LYFXCRCUENNESS
Search UniChem for chemical match using the InChIKey LYFXCRCUENNESS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LYFXCRCUENNESS
Comments
GIV3727 is an orthosteric antagonist of the human bitterness receptor TAS2R31 [1]. It inhibits the receptor's activation by the commonly used artificial sweeteners, saccharin and acesulfame K. It also antagonises the highly similar TAS2R43 receptor. This is one of the compounds claimed in patent WO2008119196, covering the use of compounds to mask the off-notes that can be detected in consumables containing artificial sweeteners [2].