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
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.
Database Links
ChEMBL Ligand CHEMBL374027
GtoPdb PubChem SID 178103177
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)