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
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations β1

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Human Histamine A pKi 8.9 8.9 8.9 Guide to Pharmacology
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.7 7.7 7.7 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.3 6.3 6.3 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.11 8.11 8.11 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 8.14 8.14 8.14 Drug Central
α1B ADA1B Human Adrenoceptors A pKi 8.14 8.14 8.14 Drug Central
H1 HRH1 Human Histamine A pKi 8.09 8.09 8.09 Drug Central
H3 HRH3 Human Histamine A pKi 8.17 8.17 8.17 Drug Central
α1A ADA1A Rat Adrenoceptors A pKi 8.14 8.14 8.14 Drug Central
H1 HRH1 Human Histamine A pKd 9.7 9.7 9.7 ChEMBL
H1 HRH1 Human Histamine A pKi 8.9 8.91 8.92 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.3 7.3 7.3 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 7.3 7.3 7.3 ChEMBL
H3 HRH3 Human Histamine A pKi 6.8 6.82 6.83 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 7.3 7.3 7.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 5.2 5.2 5.2 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 8.28 8.28 8.28 Drug Central