probe 1.1 [PMID: 24187130]

Ligand id: 9191

Name: probe 1.1 [PMID: 24187130]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 82.04
Molecular weight 430.11
XLogP 7.03
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[4-(furan-2-ylmethyl)-5-[[4-methyl-3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
Synonyms
KSC-12-192
Database Links
PubChem CID 46245518
Search Google for chemical match using the InChIKey OQJGZGAYSCWFCK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OQJGZGAYSCWFCK
Search UniChem for chemical match using the InChIKey OQJGZGAYSCWFCK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OQJGZGAYSCWFCK
Comments
Probe 1.1 is a biased agonist for the κ opioid receptor [1]. The compound was designed to preferentially bias KOR activation towards G protein signaling with minimal effects on βarrestin2 recruitment and downstream ERK1/2 activation.