AS2717638

Ligand id: 10230

Name: AS2717638

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 86.28
Molecular weight 447.18
XLogP 4.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6,7-dimethoxy-2-(5-methyl-1,2-benzoxazol-3-yl)-4-(piperidin-1-ylcarbonyl)isoquinolin-1(2H)-one
Comments
AS2717638 is a lysophosphatidic acid receptor 5 (LPA5) antagonist [1]. It is selective for LPA5 over other LPA receptors tested in ligand binding assays.
Database Links
GtoPdb PubChem SID 381744912
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