acebutolol


SMILES CCCC(=Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O)O
InChIKey GOEMGAFJFRBGGG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 336.2

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 6.4 6.45 6.5 Guide to Pharmacology
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.38 5.38 5.38 PDSP Ki database
β2 ADRB2 Rat Adrenoceptors A pKi 5.15 5.15 5.15 PDSP Ki database
β1 ADRB1 Rat Adrenoceptors A pKi 6.9 6.9 6.9 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 8.14 8.14 8.14 Drug Central
β2 ADRB2 Human Adrenoceptors A pKi 8.19 8.19 8.19 Drug Central
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.3 8.3 8.3 Drug Central
β1 ADRB1 Human Adrenoceptors A pKi 6.38 6.38 6.38 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pIC50 6.14 6.14 6.14 ChEMBL