General
Preferred name
GR 89696
Synonyms
GR-89696 fumarate ()
4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid methyl ester(GR89696) ()
GR 89696 fumarate ()
GR-89696 ()
GR89696 (fumarate) ()
P&D ID
PD051847
CAS
126766-32-3
Tags
available
drug candidate
Drug indication
Neurodegenerative disorder
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 GR 89696 is a highly selective ¦Ê2 opioid receptor agonist with potential to prevent pruritus[1].
PRICE 99
DESCRIPTION GR 89696 fumarate is a highly selective ??2 opioid receptor agonist (IC50 = 0.04nM) with anti-pruritchy, anti-injury and neuroprotective effects.
DESCRIPTION Highly selective beta3 agonist (Tocris Bioactive Compound Library)
DESCRIPTION kappa Opioid receptor agonist (LOPAC library)
DESCRIPTION GR 89696 fumarate is a potent and selective κ-opioid agonist (IC50 = 0.04 nM) displaying anti-nociceptive and neuroprotective activity. (BOC Sciences Bioactive Compounds)
DESCRIPTION GR 89696 fumarate is a highly selective κ2 opioid receptor agonist (IC50 = 0.04nM) with anti-pruritchy, anti-injury and neuroprotective effects. (TargetMol Bioactive Compound Library)
Compound Sets
12
BOC Sciences Bioactive Compounds
gr-89696-fumarate-cas-126766-32-3-item-115115
Cayman Chemical Bioactives
40145
DrugMAP
DMTGH8N
EUbOPEN Chemogenomics Library
EUB0001019
Guide to Pharmacology
1649
Ki Database
4-[2-(3,4-Dichloro-phenyl)-acetyl]-3-pyrrolidin-1-ylmethyl-piperazine-1-carboxylic acid methyl ester(GR89696)
LOPAC library
MedChem Express Bioactive Compound Library
HY-107747
NIH Clinical Collections (NCC)
ReFrame library
TargetMol Bioactive Compound Library
T22810
Tocris Bioactive Compound Library
1483
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
413.13
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
1
cLogP
2.91
TPSA
53.09
Fraction CSP3
0.58
Chiral centers
1.0
Largest ring
6.0
QED
0.76
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
kappa
Target
κ-opioid receptor
Opioid Receptor
Primary Target
? Opioid Receptors
MOA
Agonist
Pathway
GPCR/G protein
Neuronal Signaling
Endocrinology/Hormones
Neuroscience
Recommended Cell Concentration
1 nM
Source data