JNJ-10311795

Ligand id: 6563

Name: JNJ-10311795

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 125.03
Molecular weight 670.22
XLogP 11.17
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[2-[3-[methyl-[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl]naphthalen-2-yl]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
Database Links
ChEMBL Ligand CHEMBL374027
PubChem CID 10146470
Search Google for chemical match using the InChIKey XUJQPDQURBZEGJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XUJQPDQURBZEGJ
Search UniChem for chemical match using the InChIKey XUJQPDQURBZEGJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XUJQPDQURBZEGJ
SynPHARM 78440 (in complex with chymase 1)
Comments
JNJ-10311795 is a chymase inhibitor with cathepsin G cross-reactivity. The isomer in CID 656932 is contained in PDB X-ray crystal structures [1]. It is suggested to have potential clinical utility in pulmonary inflammatory diseases such as asthma and COPD.