oxymetazoline


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

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight (Da) 260.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 7EJK 7YM8
Ligand site mutations α1A α1B α2A α2B

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT1 MTR1A Human Melatonin A pKi 6.2 6.7 7.2 Guide to Pharmacology
MT2 MTR1B Human Melatonin A pKi 8.8 9.11 9.41 Guide to Pharmacology
MT2 MTR1B Human Melatonin A pKi 8.82 9.65 10.8 ChEMBL
MT1 MTR1A Human Melatonin A pKi 6.3 6.84 7.23 ChEMBL
MT1 MTR1A Human Melatonin A pKi 6.33 6.33 6.33 PDSP Ki database
MT2 MTR1B Human Melatonin A pKi 8.82 9.91 11.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database