General
Preferred name
REBOXETINE MESYLATE
Synonyms
PNU155950E mesylate ()
FCE20124 mesylate ()
PNU 155950E ()
Edronax ()
Reboxetine (mesylate) ()
FCE20124 (mesylate) ()
PNU155950E (mesylate) ()
PNU 155950E, FCE20124 mesylate ()
P&D ID
PD010762
CAS
98769-84-7
141425-90-3
Tags
natural product
available
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
AdooQ Bioactive Compound Library
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
16
Properties
(calculated by RDKit )
Molecular Weight
409.16
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
2
cLogP
2.7
TPSA
94.09
Fraction CSP3
0.4
Chiral centers
2.0
Largest ring
6.0
QED
0.71
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Neuroscience
GPCR/G protein
Neuronal Signaling
Target
norepinephrine reuptake
Adrenergic Receptor
Source data
