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
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations β1

Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pKi 8.8 8.8 8.8 Guide to Pharmacology
β2 ADRB2 Human Adrenoceptors A pKi 7.2 7.2 7.2 Guide to Pharmacology
β2 ADRB2 Bovine Adrenoceptors A pIC50 6.18 6.18 6.18 ChEMBL
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
β2 ADRB2 Guinea pig Adrenoceptors A pKd 6.98 6.98 6.98 ChEMBL
β1 ADRB1 Human Adrenoceptors A pIC50 7.43 7.43 7.43 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKd 8.8 8.8 8.8 ChEMBL
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 4.0 4.0 4.0 PDSP Ki database
β1 ADRB1 Rat Adrenoceptors A pKi 6.91 6.91 6.91 PDSP Ki database
β2 ADRB2 Rat Adrenoceptors A pKi 4.69 4.69 4.69 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKd 7.06 7.06 7.06 Drug Central
β2 ADRB2 Human Adrenoceptors A pKd 7.14 7.14 7.14 Drug Central
β2 ADRB2 Guinea pig Adrenoceptors A pKd 7.16 7.16 7.16 Drug Central
β2 ADRB2 Bovine Adrenoceptors A pIC50 7.21 7.21 7.21 Drug Central
β1 ADRB1 Rat Adrenoceptors A pKd 7.07 7.07 7.07 Drug Central
β1 B0FL73 Guinea pig Adrenoceptors A pKd 7.06 7.06 7.06 Drug Central