esmolol


SMILES COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O
InChIKey AQNDDEOPVVGCPG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 295.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pKi 6.7 6.8 6.9 Guide to Pharmacology
β1 B0FL73 Guinea pig Adrenoceptors A pKd 7.0 7.0 7.0 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 6.94 6.94 6.94 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 8.16 8.16 8.16 Drug Central
β2 ADRB2 Guinea pig Adrenoceptors A pKd 8.28 8.28 8.28 Drug Central
β1 B0FL73 Guinea pig Adrenoceptors A pKd 8.15 8.15 8.15 Drug Central
β2 ADRB2 Guinea pig Adrenoceptors A pKd 5.2 5.2 5.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pIC50 6.71 6.71 6.71 ChEMBL