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 |
Endogenous/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 |