JNJ-479655

Ligand id: 7538

Name: JNJ-479655

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 83
Molecular weight 488.22
XLogP 5.63
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methyl]-2-phenylsulfanylpyridine-3-carboxamide
Database Links
ChEMBL Ligand CHEMBL2338352
PubChem CID 66553218
RCSB PDB Ligand 7RV
Search Google for chemical match using the InChIKey XREFXUCWSYMIOG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XREFXUCWSYMIOG
Search UniChem for chemical match using the InChIKey XREFXUCWSYMIOG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XREFXUCWSYMIOG
Comments
JNJ-479655 is a centrally acting, selective P2X7 antagonist. The enhanced brain to plasma ratio achieved by this compound boosts its utility as a tool to understand the role of P2X7 in CNS models of pathophysiology [1].