salbutamol


SMILES OCc1cc(ccc1O)C(CNC(C)(C)C)O
InChIKey NDAUXUAQIAJITI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 239.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations β2

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pKi 5.3 5.7 6.1 Guide to Pharmacology
β2 ADRB2 Bovine Adrenoceptors A pKd 6.28 6.28 6.28 ChEMBL
β2 ADRB2 Guinea pig Adrenoceptors A pKd 5.94 6.5 6.96 ChEMBL
β2 ADRB2 Guinea pig Adrenoceptors A pKi 5.62 5.62 5.62 PDSP Ki database
β1 H0W3H1 Guinea pig Adrenoceptors A pKi 5.12 5.12 5.12 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 5.57 6.3 8.21 PDSP Ki database
β2 ADRB2 Human Adrenoceptors A pKi 5.74 6.09 6.29 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 5.85 6.25 6.66 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 5.61 6.94 8.27 PDSP Ki database
β3 ADRB3 Human Adrenoceptors A pKi 5.0 6.67 8.34 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 8.25 8.25 8.25 Drug Central
β2 ADRB2 Human Adrenoceptors A pKi 8.23 8.23 8.23 Drug Central
β2 ADRB2 Bovine Adrenoceptors A pKd 8.2 8.2 8.2 Drug Central
β2 ADRB2 Guinea pig Adrenoceptors A pKd 8.23 8.23 8.23 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pEC50 6.3 7.0 7.7 Guide to Pharmacology
β2 ADRB2 Guinea pig Adrenoceptors A pIC50 7.77 7.77 7.77 ChEMBL
β2 ADRB2 Guinea pig Adrenoceptors A pEC50 6.57 7.98 9.34 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 5.93 7.37 8.81 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 5.7 5.93 6.09 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 6.6 7.61 9.96 ChEMBL