MK-3697

Ligand id: 9307

Name: MK-3697

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 127.36
Molecular weight 447.14
XLogP 2.64
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(5,6-dimethoxypyridin-2-yl)methyl]-2-(5-methylpyridin-3-yl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide
Synonyms
compound 24 [PMID: 25248679]
Database Links
BindingDB Ligand 106971
CAS Registry No. 1224846-01-8 (source: PubChem)
ChEMBL Ligand CHEMBL3338865
PubChem CID 46190695
Search Google for chemical match using the InChIKey VSOUDUXMPUHJEU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VSOUDUXMPUHJEU
Search UniChem for chemical match using the InChIKey VSOUDUXMPUHJEU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VSOUDUXMPUHJEU
Comments
MK-3697 is a selective OX2 receptor antagonist (2-SORA) [1]. 2-SORA class compounds are being investigated for potential clinical utility as treatments for insomnia.