General
Preferred name
VANOXERINE
Synonyms
GBR 12909 dihydrochloride ()
1-((Di-4-fluoro-phenyl)methoxy-ethyl)-4-(3-phenylpropyl)piperazine ()
GBR-12909 dihydrochloride ()
GBR 12909 ()
I893 ()
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-phenyl-propyl)-piperazine ()
GBR-12909 ()
I893 dihydrochloride ()
Vanoxerine 2HCl (GBR-12909) ()
Vanoxerine (dihydrochloride) ()
Vanoxerine dihydrochloride ()
GBR 12909 (hydrochloride) ()
Vanoxerina ()
P&D ID
PD013145
CAS
67469-78-7
67469-69-6
110872-73-6
Tags
available
drug candidate
Drug indication
Cocaine addiction
Atrial fibrillation
Drug Status
investigational
Max Phase
3.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 45
DESCRIPTION Competitive inhibitor of dopamine uptake, binds to the target site on the dopamine transporter (DAT). Also a potent sigma receptor ligand. (GtoPdb)
DESCRIPTION Vanoxerine dihydrochloride (GBR-12909 dihydrochloride) is a competitive, potent, and highly selective dopamine reuptake inhibitor (Ki=1 nM). Vanoxerine dihydrochloride (GBR-12909 dihydrochloride) binds to the target site on the dopamine transporter (DAT)[1].
DESCRIPTION Selective DA uptake inhibitor. Also sigma ligand (Tocriscreen Plus)
DESCRIPTION Selective dopamine reuptake inhibitor (LOPAC library)
DESCRIPTION Selective DA uptake inhibitor. Also σ ligand (Tocriscreen Total)
DESCRIPTION Adenosine uptake inhibitor (Tocris Bioactive Compound Library)
DESCRIPTION Vanoxerine dihydrochloride (GBR-12909 dihydrochloride) is a potent inhibitor of dopamine uptake (IC50: 1-51 nM). (TargetMol Bioactive Compound Library)
Cell lines
0
Organisms
2
Compound Sets
24
AdooQ Bioactive Compound Library
A10725
Cayman Chemical Bioactives
15622
ChEMBL Drugs
CHEMBL281594
Drug Repurposing Hub
DrugBank
DB03701
DrugMAP
DMBQPA5
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
EOS101585
EUbOPEN Chemogenomics Library
EUB0002759
Guide to Pharmacology
9983
Ki Database
GBR-12909
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-phenyl-propyl)-piperazine
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL281594
Mcule NIBR MoA Box Subset
MCULE-9401171768
MedChem Express Bioactive Compound Library
HY-13217
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
vanoxerine-dihydrochloride
TargetMol Bioactive Compound Library
T7153
Tocris Bioactive Compound Library
0421
Tocriscreen Plus
0421
Tocriscreen Total
External IDs
47
Properties
(calculated by RDKit )
Molecular Weight
450.25
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
10
Ring Count
4
Aromatic Ring Count
3
cLogP
5.32
TPSA
15.71
Fraction CSP3
0.36
Chiral centers
0.0
Largest ring
6.0
QED
0.42
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
Transporters
Selectivity
Reuptake
Target
Dopamine Transporter
dopamine uptake
SLC6A3
Dopamine Receptor
Pathway
Neuronal Signaling
GPCR/G protein
Neuroscience
Primary Target
Dopamine Transporters
MOA
Inhibitor
Dopamine Reuptake Inhibitors
dopamine reuptake inhibitor
Member status
member
Recommended Cell Concentration
1 uM
Source data