betaxolol


SMILES OC(COc1ccc(cc1)CCOCC1CC1)CNC(C)C
InChIKey NWIUTZDMDHAVTP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 307.2

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 8.2 8.66 9.12 Guide to Pharmacology
β2 ADRB2 Human Adrenoceptors A pKi 7.2 7.7 8.2 Guide to Pharmacology
β1 ADRB1 Rat Adrenoceptors A pKd 6.9 8.12 8.53 ChEMBL
β1 B0FL73 Guinea pig Adrenoceptors A pKd 5.4 7.58 8.76 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKd 8.8 8.8 8.8 ChEMBL
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine 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
β1 ADRB1 Rat Adrenoceptors A pKi 7.91 7.91 7.91 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKd 8.06 8.06 8.06 Drug Central
β2 ADRB2 Human Adrenoceptors A pKd 8.14 8.14 8.14 Drug Central
β2 ADRB2 Guinea pig Adrenoceptors A pKd 8.16 8.16 8.16 Drug Central
β1 ADRB1 Rat Adrenoceptors A pKd 8.07 8.07 8.07 Drug Central
β1 B0FL73 Guinea pig Adrenoceptors A pKd 8.06 8.06 8.06 Drug Central
β2 ADRB2 Rat Adrenoceptors A pKi 5.69 5.69 5.69 PDSP Ki database
β2 ADRB2 Guinea pig Adrenoceptors A pKd 6.98 6.98 6.98 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Bovine Adrenoceptors A pIC50 6.18 6.18 6.18 ChEMBL
β1 ADRB1 Human Adrenoceptors A pIC50 7.43 7.43 7.43 ChEMBL
β2 ADRB2 Bovine Adrenoceptors A pIC50 8.21 8.21 8.21 Drug Central