dobutamine


SMILES CC(CCc1ccc(cc1)O)NCCc1ccc(c(c1)O)O
InChIKey JRWZLRBJNMZMFE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 301.2

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
β1 ADRB1 Human Adrenoceptors A pKi 5.2 5.35 5.5 Guide to Pharmacology
α1B ADA1B Rat Adrenoceptors A pKi 6.73 6.73 6.73 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 7.35 7.35 7.35 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.25 7.25 7.25 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.87 5.87 5.87 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 5.95 5.95 5.95 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 5.98 5.98 5.98 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.77 5.77 5.77 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 8.13 8.13 8.13 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.23 8.23 8.23 Drug Central
D3 DRD3 Human Dopamine A pKi 8.24 8.24 8.24 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 8.17 8.17 8.17 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pEC50 6.8 6.8 6.8 Guide to Pharmacology
α1B ADA1B Rat Adrenoceptors A pIC50 6.47 6.47 6.47 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 6.96 6.96 6.96 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 6.94 6.94 6.94 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 5.53 5.53 5.53 ChEMBL
β1 ADRB1 Human Adrenoceptors A pIC50 5.71 5.71 5.71 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 5.82 5.82 5.82 ChEMBL
D3 DRD3 Human Dopamine A pIC50 5.3 5.3 5.3 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 8.26 8.26 8.26 Drug Central
β2 ADRB2 Human Adrenoceptors A pEC50 8.21 8.21 8.21 Drug Central
α1A ADA1A Rat Adrenoceptors A pIC50 8.16 8.16 8.16 Drug Central