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
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

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

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 9.5 9.5 9.5 Guide to Pharmacology
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 9.4 9.4 9.4 Guide to Pharmacology
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.3 6.55 6.8 Guide to Pharmacology
α1A ADA1A Human Adrenoceptors A pKi 7.2 7.7 8.2 Guide to Pharmacology
α1B ADA1B Human Adrenoceptors A pKi 5.2 5.85 6.5 Guide to Pharmacology
α1D ADA1D Human Adrenoceptors A pKi 5.3 5.85 6.4 Guide to Pharmacology
α2A ADA2A Human Adrenoceptors A pKi 7.3 7.95 8.6 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pKi 5.0 5.6 6.2 Guide to Pharmacology
α2C ADA2C Human Adrenoceptors A pKi 6.4 6.55 6.7 Guide to Pharmacology
α1D ADA1D Rat Adrenoceptors A pKi 6.2 6.2 6.2 Guide to Pharmacology
α2A ADA2A Pig Adrenoceptors A pKi 7.68 7.68 7.68 ChEMBL
α2A ADA2A Bovine Adrenoceptors A pKi 8.82 8.82 8.82 ChEMBL
α1B ADA1B Golden hamster Adrenoceptors A pKi 6.69 6.69 6.69 ChEMBL
α1A ADA1A Bovine Adrenoceptors A pKi 7.88 7.88 7.88 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 9.04 9.04 9.04 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 6.16 6.16 6.16 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 7.8 7.99 8.19 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.85 5.86 5.87 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.27 5.75 6.24 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.02 6.02 6.02 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.42 7.74 9.0 ChEMBL
α2A ADA2A Pig Adrenoceptors A pKi 7.45 7.97 8.5 PDSP Ki database
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.34 6.34 6.34 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.8 7.8 7.8 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.49 8.49 8.49 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.79 8.51 9.54 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.11 6.11 6.11 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.71 5.71 5.71 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.52 6.52 6.52 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.43 6.43 6.43 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 9.59 9.59 9.59 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 8.6 8.93 9.09 PDSP Ki database
5-HT1D 5HT1D Rat 5-Hydroxytryptamine A pKi 8.89 8.89 8.89 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.59 6.59 6.59 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 6.65 6.65 6.65 PDSP Ki database
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 6.19 6.19 6.19 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.83 6.83 6.83 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.92 6.92 6.92 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 8.01 8.58 9.1 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 6.62 7.18 7.51 PDSP Ki database
α2C ADA2C North American opossum Adrenoceptors A pKi 7.14 7.14 7.14 PDSP Ki database
α2B ADA2B Human Adrenoceptors A pKi 5.53 6.02 6.67 PDSP Ki database
α2B ADA2B Rat Adrenoceptors A pKi 6.51 6.83 7.15 PDSP Ki database
α1B ADA1B Human Adrenoceptors A pKi 6.42 6.42 6.42 PDSP Ki database
α1D ADA1D Rat Adrenoceptors A pKi 5.67 5.67 5.67 PDSP Ki database
α1B ADA1B Rat Adrenoceptors A pKi 6.08 6.08 6.08 PDSP Ki database
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 6.38 6.38 6.38 PDSP Ki database
α1A Q9TSW7 Pig Adrenoceptors A pKi 7.5 7.6 7.7 PDSP Ki database
α2A ADA2A Mouse Adrenoceptors A pKi 7.59 7.7 7.81 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.07 8.07 8.07 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.18 8.18 8.18 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.17 8.17 8.17 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.17 8.17 8.17 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.2 8.2 8.2 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.02 8.02 8.02 Drug Central
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.03 8.03 8.03 Drug Central
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.22 8.22 8.22 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 8.09 8.09 8.09 Drug Central
α1B ADA1B Human Adrenoceptors A pKi 8.19 8.19 8.19 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.19 8.19 8.19 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.21 8.21 8.21 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.05 8.05 8.05 Drug Central
α1D ADA1D Rat Adrenoceptors A pKi 8.19 8.19 8.19 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 8.21 8.21 8.21 Drug Central
α1A ADA1A Rat Adrenoceptors A pKi 8.09 8.09 8.09 Drug Central
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 8.04 8.04 8.04 Drug Central
α2A ADA2A Bovine Adrenoceptors A pKi 8.05 8.05 8.05 Drug Central
α1B ADA1B Golden hamster Adrenoceptors A pKi 8.17 8.17 8.17 Drug Central
α1A ADA1A Bovine Adrenoceptors A pKi 8.1 8.1 8.1 Drug Central
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.02 8.02 8.02 Drug Central
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 9.4 9.4 9.4 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 9.52 9.52 9.52 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.21 8.21 8.21 Drug Central
α1B ADA1B Human Adrenoceptors A pKi 6.08 6.08 6.08 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 6.48 6.48 6.48 ChEMBL
α2A ADA2A Pig Adrenoceptors A pKi 8.11 8.11 8.11 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Human Adrenoceptors A pEC50 7.2 8.25 9.3 Guide to Pharmacology
α1B ADA1B Human Adrenoceptors A pEC50 6.7 7.05 7.4 Guide to Pharmacology
α1D ADA1D Human Adrenoceptors A pEC50 5.6 6.45 7.3 Guide to Pharmacology
α2A ADA2A Human Adrenoceptors A pIC50 8.4 8.4 8.4 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pIC50 8.8 8.8 8.8 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pEC50 7.7 7.7 7.7 Guide to Pharmacology
α2C ADA2C Human Adrenoceptors A pEC50 6.92 6.92 6.92 Guide to Pharmacology
α2C ADA2C Human Adrenoceptors A pIC50 7.4 7.8 8.2 Guide to Pharmacology
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pIC50 8.7 8.7 8.7 ChEMBL
α1B ADA1B Rat Adrenoceptors A pEC50 6.47 6.47 6.47 ChEMBL
α1B ADA1B Rat Adrenoceptors A pIC50 5.91 5.91 5.91 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 7.42 7.42 7.42 ChEMBL
α1A ADA1A Rat Adrenoceptors A pEC50 6.54 6.54 6.54 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.9 5.08 5.25 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 5.55 5.55 5.55 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 5.89 5.89 5.89 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 5.88 5.88 5.88 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 5.58 5.58 5.58 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 5.49 5.49 5.49 ChEMBL
α1A ADA1A Human Adrenoceptors A pEC50 6.46 7.39 7.7 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 8.25 8.25 8.25 ChEMBL
α2A ADA2A Human Adrenoceptors A pEC50 8.48 8.48 8.48 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 7.64 7.64 7.64 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 5.78 5.78 5.78 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 5.51 5.51 5.51 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 6.24 6.24 6.24 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 5.89 5.89 5.89 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pEC50 7.16 7.16 7.16 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.4 4.45 4.5 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 8.08 8.08 8.08 Drug Central
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pEC50 6.86 6.86 6.86 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 5.4 5.4 5.4 ChEMBL
α1D ADA1D Rat Adrenoceptors A pEC50 5.08 5.08 5.08 ChEMBL