oxymetazoline [6070]



oxymetazoline


SMILES Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1
InChIKey WYWIFABBXFUGLM-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Log P 2.851
Molecular weight (Da) 260.2
Stereochemistry info unspecified

Database connections

Structure pdb 7YM8 7EJK
Model (Boltz2) α2A α1D α1B α1A α2C α2B
Ligand site mutations α1A α1B α2A α2B

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

oxymetazoline


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 6
Phase II 6
Phase III 6
Phase IV 48

Database connections

Structure pdb 7YM8 7EJK
Model (Boltz2) α2A α1D α1B α1A α2C α2B
Ligand site mutations α1A α1B α2A α2B

Sankey plot

Drug Information

Target Disease
Gene Protein Receptor family Ligand type Class Name Phase ICD11 ATC Association score