DEQUALINIUM


SMILES Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21
InChIKey PCSWXVJAIHCTMO-UHFFFAOYSA-P

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 456.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 5.65 5.7 5.75 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 5.1 5.1 5.1 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.9 4.9 4.9 ChEMBL