General
Preferred name
GBR-12935
Synonyms
GBR-12935 dihydrochloride ()
GBR 12935 dihydrochloride ()
GBR 12935 ()
GBR12935 ()
[3H]GBR12935 ()
GBR 12935 (dihydrochloride) ()
GBR 12935 (hydrochloride) ()
P&D ID
PD049683
CAS
67469-81-2
76778-22-8
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
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 Potent sigma antagonist (Tocris Bioactive Compound Library)
DESCRIPTION Dopamine reuptake inhibitor (LOPAC library)
DESCRIPTION Selective dopamine uptake inhibitor (Tocriscreen Total)
DESCRIPTION GBR 12935 2Hcl is a potent, and selective dopamine reuptake inhibitor. (BOC Sciences Bioactive Compounds)
DESCRIPTION GBR 12935 is a piperazine derivative and a potent and selective inhibitor of dopamine uptake with IC50 value of 3.7nM. It is found to have multiple binding sites in rat and human brains. It was originally developed in its 3H radiolabelled form for the purpose of mapping the distribution of dopaminergic neurons in the brain by selective labelling of dopamine transporter proteins. It(1-9 nM) dose-dependently inhibited active uptake of [3H]dopamine in homogenates of the nucleus accumbens and could inhibit DA uptake with IC50 value of 3.7nM in vitro. It elevated locomotion to a greater extent in C57BL/6J mice at the maximally active dose of 10 mg/kg in vivo. It shows a Kd value of 1.08nM in dopamine transporter transfected COS-7 cells. It is now widely used in animal research into Parkinson's disease and the dopamine pathways in the brain. (BOC Sciences Bioactive Compounds)
Cell lines
1
Organisms
3
Compound Sets
17
AdooQ Bioactive Compound Library
A11937
BOC Sciences Bioactive Compounds
gbr-12935-dihydrochloride-cas-67469-81-2-377775
gbr-12935-cas-76778-22-8-item-133355
Cayman Chemical Bioactives
17700
Concise Guide to Pharmacology 2017/18
4638
4639
Concise Guide to Pharmacology 2019/20
4638
4639
Concise Guide to Pharmacology 2021/22
4638
4639
Concise Guide to Pharmacology 2023/24
4638
4639
Drug Repurposing Hub
DrugMAP
DMGQDLU
EU-OPENSCREEN Bioactive Compound Library
EOS101215
Guide to Pharmacology
4638
4639
Ki Database
GBR-12935
LOPAC library
MedChem Express Bioactive Compound Library
HY-12242
TargetMol Bioactive Compound Library
T1871
Tocris Bioactive Compound Library
0514
Tocriscreen Total
External IDs
36
Properties
(calculated by RDKit )
Molecular Weight
414.27
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
10
Ring Count
4
Aromatic Ring Count
3
cLogP
5.04
TPSA
15.71
Fraction CSP3
0.36
Chiral centers
0.0
Largest ring
6.0
QED
0.46
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
Reuptake
Target
Dopamine Transporter
dopamine
AGTR1, SLC6A3
Pathway
Neuronal Signaling
GPCR/G protein
Neuroscience
Primary Target
Dopamine Transporters
MOA
Inhibitor
dopamine reuptake inhibitor
Solubility
10 mM in DMSO
Source data