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Compound Detail

CHEMBL121721

HEXAMETHONIUM HYDROXIDE
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C[N+](C)(C)CCCCCC[N+](C)(C)C.[OH-].[OH-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL121721
Name HEXAMETHONIUM HYDROXIDE
Phase Preclinical
Structure Type MOL
InChI Key GYLUMIIRFKDCKI-UHFFFAOYSA-L
Parent Compound CHEMBL100622
Active Moiety CHEMBL100622
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

202.4
MW (Da)
1.96
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H32N2O2
MW 236.40
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.56

Literature References

PubMed DOI Target Context # Activities
15203153 10.1016/j.bmcl.2004.05.001 Neuronal acetylcholine receptor; alpha3/beta4 1

Data from ChEMBL 36 via Core Engine