General
Preferred name
REBOXETINE
Synonyms
PNU155950E mesylate ()
FCE20124 mesylate ()
PNU 155950E ()
Edronax ()
REBOXETINE MESYLATE ()
Reboxetine (mesylate) ()
FCE20124 (mesylate) ()
PNU155950E (mesylate) ()
PNU 155950E, FCE20124 mesylate ()
P&D ID
PD014779
CAS
98769-84-7
141425-90-3
98769-81-4
71620-89-8
Tags
natural product
drug
available
First approval
1997
Drug Status
experimental
approved
Drug indication
Depression
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)
METABOLISM
Reboxetine is metabolized by dealkylation, hydroxylation and oxidation followed; by glucuronide or sulphate conjugation. It is metabolized by the cytochrome P450; CYP isoenzyme 3A4.
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
13
AdooQ Bioactive Compound Library
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
MedChem Express Bioactive Compound Library
NPC Screening Collection
Other bioactive compounds
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
41
Molecular Weight
313.17
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
2
cLogP
3.19
TPSA
39.72
Fraction CSP3
0.37
Chiral centers
2.0
Largest ring
6.0
QED
0.89
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
SLC6A2
Adrenergic Receptor
Indication
depression
MOA
Adrenergic Receptor antagonist
Therapeutic Class
Antidepressants
Source data
