bisoprolol


SMILES OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C
InChIKey VHYCDWMUTMEGQY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 12
Molecular weight (Da) 325.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pKi 7.8 7.8 7.8 Guide to Pharmacology
β2 ADRB2 Human Adrenoceptors A pKd 4.48 5.65 6.82 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.6 6.6 6.6 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 7.65 7.65 7.65 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 5.94 5.94 5.94 PDSP Ki database
β3 ADRB3 Human Adrenoceptors A pKi 5.04 5.04 5.04 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 8.12 8.12 8.12 Drug Central
β2 ADRB2 Human Adrenoceptors A pKi 8.23 8.23 8.23 Drug Central
β3 ADRB3 Human Adrenoceptors A pKi 8.3 8.3 8.3 Drug Central
β1 ADRB1 Mouse Adrenoceptors A pKi 8.08 8.08 8.08 Drug Central
β1 ADRB1 Mouse Adrenoceptors A pKi 8.28 8.28 8.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 7.8 7.8 7.8 ChEMBL