ML398

Ligand id: 8440

Name: ML398

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 12.47
Molecular weight 315.14
XLogP 6.33
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R)-4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine
Database Links
PubChem CID 72737723
Search Google for chemical match using the InChIKey CVKXGRRJHJHUFY-LJQANCHMSA-N
Search Google for chemicals with the same backbone CVKXGRRJHJHUFY
Search UniChem for chemical match using the InChIKey CVKXGRRJHJHUFY-LJQANCHMSA-N
Search UniChem for chemicals with the same backbone CVKXGRRJHJHUFY
Comments
ML398 is reported as a potent and selective antagonist of the dopamine D4 receptor [1].