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Compound Detail

CHEMBL1201349

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

Basic Information

ChEMBL ID CHEMBL1201349
Name HEXAFLUORENIUM
Phase Approved
Structure Type MOL
InChI Key HDZAQYPYABGTCL-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Hexafluorenium cation Hexafluorenium ion Hexafluronium
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
3
Known Names

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 C36H42N2+2
MW 502.75
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness 0.06

ATC Classification

M03AC05
hexafluronium
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: MUSCLE RELAXANTS

Literature References

PubMed DOI Target Context # Activities
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
37468498 10.1038/s41467-023-40064-9 Vascular endothelial growth factor receptor 2 1
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 1
37468498 10.1038/s41467-023-40064-9 Histamine H3 receptor 1
37468498 10.1038/s41467-023-40064-9 Prothrombin 1
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 1
37468498 10.1038/s41467-023-40064-9 D(3) dopamine receptor 1
37468498 10.1038/s41467-023-40064-9 cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A 1
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 1
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 1
37468498 10.1038/s41467-023-40064-9 Amine oxidase [flavin-containing] A 1
37468498 10.1038/s41467-023-40064-9 Mu-type opioid receptor 1
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 1
37468498 10.1038/s41467-023-40064-9 Sodium-dependent serotonin transporter 1
37468498 10.1038/s41467-023-40064-9 Sodium-dependent noradrenaline transporter 1
37468498 10.1038/s41467-023-40064-9 Acetylcholinesterase 1
37468498 10.1038/s41467-023-40064-9 Estrogen receptor 1

Data from ChEMBL 36 via Core Engine