MK-1064

Ligand id: 9306

Name: MK-1064

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 99.12
Molecular weight 461.13
XLogP 3.31
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(5-chloropyridin-3-yl)-N-[(5,6-dimethoxypyridin-2-yl)methyl]-2-pyridin-2-ylpyridine-3-carboxamide
Database Links
BindingDB Ligand 50028059
CAS Registry No. 1207253-08-4 (source: PubChem)
ChEMBL Ligand CHEMBL3338866
PubChem CID 44633765
Search Google for chemical match using the InChIKey CKTWQGHVNRYNCM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CKTWQGHVNRYNCM
Search UniChem for chemical match using the InChIKey CKTWQGHVNRYNCM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CKTWQGHVNRYNCM
Comments
MK-1064 is a selective OX2 receptor antagonist [1-2]. The acronym for selective OX2 receptor antagonists is 2-SORA (compared to DORA for dual OX1/OX2 antagonists).