General
Preferred name
BENFLUOREX
Synonyms
BENFLUOREX HYDROCHLORIDE ()
JP-992 hydrochloride ()
Lipophoral ()
Mediaxal ()
Balans ()
Benfluorex (hydrochloride) ()
JP-992 (hydrochloride) ()
NSC-757396 ()
P&D ID
PD009068
CAS
23602-78-0
23642-66-2
Tags
natural product
drug
available
Drug Status
investigational
approved
withdrawn
Max Phase
Phase 4
First approval
1974
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
12
ChEMBL Approved Drugs
ChEMBL Drugs
DrugBank
DrugCentral
DrugCentral Approved Drugs
MedChem Express Bioactive Compound Library
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
TargetMol Bioactive Compound Library
The Spectrum Collection
Withdrawn 2.0
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
41
Properties
(calculated by RDKit )
Molecular Weight
351.14
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
7
Ring Count
2
Aromatic Ring Count
2
cLogP
4.08
TPSA
38.33
Fraction CSP3
0.32
Chiral centers
1.0
Largest ring
6.0
QED
0.6
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
SERM
ATC
A10BX06
Toxicity type
cardiovascular
Source data
