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Compound Detail

CHEMBL1200933

HEXAFLUORENIUM BROMIDE
💊 Approved Drug
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💊 Approved Drug
C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21.[Br-].[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1200933
Name HEXAFLUORENIUM BROMIDE
Phase Approved
Structure Type MOL
InChI Key WDEFPRUEZRUYNW-UHFFFAOYSA-L
Therapeutic ✓ Yes
Parent Compound CHEMBL1201349
Active Moiety CHEMBL1201349

Known Names

Bromure d'hexafluronium Bromuro de hexafluronio Hexafluorenium bromide Hexaflurone bromide Hexafluronium bromide Mylaxen NSC-19477
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
7
Known Names
1
Mechanisms

Molecular Properties

502.8
MW (Da)
8.24
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.16
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1982
Availability Discontinued
Chirality Achiral

Routes of Administration

Parenteral

Flags

Natural Product
USAN Stem -ium
USAN Year 1961

Extended Properties

Molecular Formula C36H42Br2N2
MW 662.55
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness 0.06

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Acetylcholinesterase inhibitor INHIBITOR Acetylcholinesterase ✓ ✓

Activity Summary

Ki 4 meas. best 6.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Butyrylcholinesterase
CHEMBL5077
 Ki 6.47 6.26 340.0 2
Acetylcholinesterase
CHEMBL4078
 Ki 5.89 5.89 1300.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Butyrylcholinesterase Ki = 340.0 nM 6.47 Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acet... 592327
Butyrylcholinesterase Ki = 890.0 nM 6.05 Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acet... 592327
Acetylcholinesterase Ki = 1300.0 nM 5.89 Reversible mixed-type inhibition of electric eel acetylcholinesterase using acet... 592327
Acetylcholinesterase Ki = 1300.0 nM 5.89 Reversible mixed-type inhibition of electric eel acetylcholinesterase using acet... 592327

Literature References

PubMed DOI Target Context # Activities
592327 10.1021/jm00222a016 Acetylcholinesterase 2
592327 10.1021/jm00222a016 Butyrylcholinesterase 2

Data from ChEMBL 36 via Core Engine