General
Preferred name
REBOXETINE
Synonyms
REBOXETINE MESYLATE ()
Edronax ()
Reboxetine mesilate ()
Reboxetine methanesulfonate ()
Reboxetine methansulphonate ()
Prolift ()
Vestra ()
Reboxetine methanesulphonate ()
FCE-20124 ()
FCE 20124 ()
PNU-155950E ()
Reboxetine ()
Reboxetine (mesylate) ()
P&D ID
PD057502
CAS
93851-87-7
98769-84-7
Tags
drug candidate
natural product
drug
available
Drug Status
investigational
approved
Max Phase
Phase 4
Phase 3
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
7
Cayman Chemical Bioactives
ChEMBL Approved Drugs
ChEMBL Drugs
DrugMatrix
Ki Database
LSP-MoA library (Laboratory of Systems Pharmacology)
Other bioactive compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
33
Properties
(calculated by RDKit )
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)
Source data
