metoprolol


SMILES COCCc1ccc(cc1)OCC(CNC(C)C)O
InChIKey IUBSYMUCCVWXPE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 267.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations β1

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pKi 7.0 7.45 7.9 Guide to Pharmacology
β2 ADRB2 Human Adrenoceptors A pKi 6.3 6.6 6.9 Guide to Pharmacology
β1 ADRB1 Mouse Adrenoceptors A pKi 7.31 7.31 7.31 ChEMBL
β1 ADRB1 Rat Adrenoceptors A pKi 5.3 5.82 6.4 ChEMBL
β1 ADRB1 Rat Adrenoceptors A pKd 7.64 7.64 7.64 ChEMBL
β1 B0FL73 Guinea pig Adrenoceptors A pKd 6.14 7.41 7.83 ChEMBL
β2 ADRB2 Guinea pig Adrenoceptors A pKd 6.79 6.79 6.79 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 6.99 7.12 7.26 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKd 7.8 7.8 7.8 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 5.75 6.21 6.66 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 4.81 5.85 6.89 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 7.33 7.33 7.33 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 5.53 5.53 5.53 PDSP Ki database
β3 ADRB3 Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
β2 ADRB2 Rat Adrenoceptors A pKi 5.77 5.77 5.77 PDSP Ki database
β1 ADRB1 Rat Adrenoceptors A pKi 7.2 7.2 7.2 PDSP Ki database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 8.2 8.2 8.2 Drug Central
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.3 8.3 8.3 Drug Central
β1 ADRB1 Human Adrenoceptors A pKi 8.12 8.12 8.12 Drug Central
β2 ADRB2 Guinea pig Adrenoceptors A pKd 8.17 8.17 8.17 Drug Central
β1 B0FL73 Guinea pig Adrenoceptors A pKd 8.11 8.11 8.11 Drug Central
β1 ADRB1 Mouse Adrenoceptors A pKi 8.14 8.14 8.14 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 B0FL73 Guinea pig Adrenoceptors A pIC50 6.5 6.61 6.72 ChEMBL
β1 ADRB1 Human Adrenoceptors A pIC50 6.75 6.75 6.75 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 5.59 5.59 5.59 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 7.3 7.3 7.3 ChEMBL
Y1 NPY1R Human Neuropeptide Y A pEC50 4.46 4.74 5.02 ChEMBL
Y2 NPY2R Human Neuropeptide Y A pEC50 4.79 4.79 4.79 ChEMBL