(+)-adrenaline
| SMILES | CNC[C@H](c1ccc(c(c1)O)O)O |
| InChIKey | UCTWMZQNUQWSLP-SECBINFHSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 183.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Endogenous |
| Approved drug | No |
Sankey plot
Compound is not listed as a drug.
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | Guide to Pharmacology |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
| β1 | ADRB1 | Rat | Adrenoceptors | A | pKi | 4.89 | 4.89 | 4.89 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.1 | 5.1 | 5.1 | Guide to Pharmacology |
| β2 | ADRB2 | Dog | Adrenoceptors | A | pKi | 5.43 | 5.43 | 5.43 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |