JNJ-63533054

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Ligands
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	3.46
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

IUPAC Name

3-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide

Synonyms
compound 7c [PMID: 26396690] \| JNJ63533054

Synonyms

compound 7c [PMID: 26396690] | JNJ63533054

Comments
JNJ-63533054 is a small molecule agonist of GPR139 [1,3]. It is orally bioavailable and can cross the blood-brain barrier [4]. It is a surrogate ligand that can be used to examine GPR139 function in the absence of a validated endogenous ligand. 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 [2].

Comments

JNJ-63533054 is a small molecule agonist of GPR139 [1,3]. It is orally bioavailable and can cross the blood-brain barrier [4]. It is a surrogate ligand that can be used to examine GPR139 function in the absence of a validated endogenous ligand.
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 [2].

Database Links
BindingDB Ligand	50132143
ChEMBL Ligand	CHEMBL3633720
GtoPdb PubChem SID	252827424
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

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JNJ 63533054 Cat. No. 5666

JNJ 63533054
Cat. No. 5666