LY2940094

Ligand id: 9462

Name: LY2940094

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 91.65
Molecular weight 480.12
XLogP 3.05
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[2-[4-[(2-chloro-4,4-difluorospiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methylpyrazol-1-yl]pyridin-3-yl]methanol
Synonyms
compound 36 [PMID: 24678969] | LY-2940094
Database Links
ChEMBL Ligand CHEMBL3304244
PubChem CID 52914971
Search Google for chemical match using the InChIKey NKQHBJNRBKHUQR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NKQHBJNRBKHUQR
Search UniChem for chemical match using the InChIKey NKQHBJNRBKHUQR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NKQHBJNRBKHUQR
Comments
LY2940094 is a potent and selective nociceptin receptor antagonist [3], with potential clinical utility [2].