JNJ-63533054

Ligand id: 8766

Name: JNJ-63533054

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 58.2
Molecular weight 316.1
XLogP 4.46
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
Database Links
PubChem CID 2548547
Search Google for chemical match using the InChIKey MWDVCHRYCKXEBY-LBPRGKRZSA-N
Search Google for chemicals with the same backbone MWDVCHRYCKXEBY
Search UniChem for chemical match using the InChIKey MWDVCHRYCKXEBY-LBPRGKRZSA-N
Search UniChem for chemicals with the same backbone MWDVCHRYCKXEBY
Comments
JNJ-63533054 is a small molecule agonist of GPR139 [2]. Both PubChem (CID 4879329) and ChEMBL (CHEMBL1509813) record this compound with no specified stereochemistry.
Patent WO2014152917 A2 describes the search for physiological ligands for GPR139 [1].