compound 69 [PMID: 19136975]

Ligand id: 8782

Name: compound 69 [PMID: 19136975]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 64.68
Molecular weight 462.18
XLogP 6.43
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(2S)-1-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]naphthalene-2-carboxamide
Database Links
ChEMBL Ligand CHEMBL492572
GtoPdb PubChem SID 252827440
PubChem CID 25105713
Search Google for chemical match using the InChIKey DRIMIUYGTDAQOX-KRWDZBQOSA-N
Search Google for chemicals with the same backbone DRIMIUYGTDAQOX
Search UniChem for chemical match using the InChIKey DRIMIUYGTDAQOX-KRWDZBQOSA-N
Search UniChem for chemicals with the same backbone DRIMIUYGTDAQOX
Comments
Compound 69 is a phospholipase D inhibitor with approximately 20-fold selectivity for PLD1 over PLD2 [1].