General
Preferred name
EPIBATIDINE
Synonyms
Epibatidine-(-) ()
Epibatidine-(+) ()
Epibatidine, (+/-) ()
(±)-Epibatidine dihydrochloride ()
[125I]epibatidine ()
(±)-Epibatidine ()
(+)-Epibatidine dihydrochloride ()
(-)-Epibatidine dihydrochloride ()
[3H]epibatidine ()
P&D ID
PD050555
CAS
148152-66-3
166374-43-2
140111-52-0
Tags
available
drug candidate
Drug indication
Discovery agent
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
(+)-Epibatidine dihydrochloride is a highly potent nicotinic agonist and (+)-Enantiomer of (±)-Epibatidine dihydrochloride.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
High affinity nicotinic agonist (Ki values are 0.02 and 233 nM for α4β2 and α7 nicotinic receptors respectively). Analgesic.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
(±)-Epibatidine is a potent nicotinic agonist (Ki = 0.02 and 233 nM for α4β2 and α7 nicotinic receptors, respectively).
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
3
Organisms
1
Compound Sets
12
Axon Medchem Screening Library
BOC Sciences Bioactive Compounds
CZ-OPENSCREEN Bioactive Library
DrugMAP
DrugMatrix
Ki Database
LSP-MoA library (Laboratory of Systems Pharmacology)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
30
Molecular Weight
208.08
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
1
cLogP
2.34
TPSA
24.92
Fraction CSP3
0.55
Chiral centers
3.0
Largest ring
6.0
QED
0.72
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Nicotinic agonist
Source data
