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

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