General
Preferred name
JNJ 63533054
Synonyms
JNJ-63533054 ()
P&D ID
PD050145
CAS
1802326-66-4
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION JNJ-63533054 is a small molecule agonist of GPR139 . 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 .
DESCRIPTION JNJ-63533054 is a small molecule agonist of GPR139 . It is orally bioavailable and can cross the blood-brain barrier . 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 . (GtoPdb)
DESCRIPTION JNJ-63533054 is a potent, selective and orally active GPR139 agonist with an EC50 of 16 nM for human GPR139 (hGPR139). JNJ-63533054 shows selective for GPR139 over other GPCRs, ion channels, and transporters. JNJ-63533054 can cross the blood-brain barrier (BBB)[1][2].
PRICE 68
DESCRIPTION High affinity non-peptide CXCR3 agonist (Tocris Bioactive Compound Library)
DESCRIPTION JNJ-63533054 is a potent and selective agonist of hGPR139 with an EC50 = 16 nM. (TargetMol Bioactive Compound Library)
Compound Sets
12
AdooQ Bioactive Compound Library
A15449
Axon Medchem Screening Library
2569
Cayman Chemical Bioactives
23450
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
EU-OPENSCREEN Bioactive Compound Library
EOS101527
Guide to Pharmacology
8766
MedChem Express Bioactive Compound Library
HY-19838
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
jnj-63533054
TargetMol Bioactive Compound Library
T3119
Tocris Bioactive Compound Library
5666
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
316.1
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
5
Ring Count
2
Aromatic Ring Count
2
cLogP
2.95
TPSA
58.2
Fraction CSP3
0.18
Chiral centers
1.0
Largest ring
6.0
QED
0.89
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
GPR139
hGPR139
GPR139 agonist
GPR
Primary Target
Orphan 7-TM Receptors
MOA
Agonist
potent and selective agonist of hGPR139 with an EC50 = 16 nM
GPR139 inhibitor
G protein-coupled receptor agonist
Member status
member
Pathway
GPCR/G protein
Neuronal Signaling
Endocrinology/Hormones
Source data