General
Preferred name
HEXOCYCLIUM
Synonyms
Hexocyclium metilsulfate ()
HEXOCYCLIUM METHYLSULFATE ()
Hexocyclium ion ()
Hexocyclium cation ()
Hexocyclium methylsulphate ()
Hexocyclium methyl sulfate ()
TRAL ()
Hexocyclium metilsulphate ()
NSC-30256 ()
P&D ID
PD009229
CAS
6004-98-4
115-63-9
Tags
available
drug
Approved by
FDA
Drug Status
approved
withdrawn
Drug indication
Discovery agent
Max Phase
Phase 4
First approval
1982
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)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
12
ChEMBL Approved Drugs
ChEMBL Drugs
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMatrix
Guide to Pharmacology
NPC Screening Collection
ReFrame library
Withdrawn 2.0
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
32
Molecular Weight
317.26
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
1
cLogP
2.85
TPSA
23.47
Fraction CSP3
0.7
Chiral centers
1.0
Largest ring
6.0
QED
0.86
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
ATC
A03AB10
Source data
