(R)-DOI
| SMILES | COc1cc(I)c(cc1C[C@H](N)C)OC |
| InChIKey | BGMZUEKZENQUJY-SSDOTTSWSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 321.0 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
| β2 | ADRB2 | Dog | Adrenoceptors | A | pKi | 4.24 | 4.24 | 4.24 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 5.82 | 5.82 | 5.82 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| β2 | ADRB2 | Rat | Adrenoceptors | A | pKi | 4.54 | 4.54 | 4.54 | ChEMBL |
| β1 | ADRB1 | Rat | Adrenoceptors | A | pKi | 4.2 | 4.28 | 4.35 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.4 | 5.4 | 5.4 | ChEMBL |
| β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pEC50 | 4.44 | 4.44 | 4.44 | ChEMBL |