formoterol
| SMILES | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O |
| InChIKey | BPZSYCZIITTYBL-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 344.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.7 | 6.23 | 6.5 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 8.6 | 8.6 | 8.6 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 7.48 | 7.93 | 8.59 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 5.79 | 5.79 | 5.79 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 6.1 | 6.3 | 6.5 | Guide to Pharmacology |
| D2 | DRD2 | Human | Dopamine | A | pKi | 4.89 | 4.89 | 4.89 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pEC50 | 9.5 | 9.5 | 9.5 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 7.6 | 7.6 | 7.6 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 7.07 | 7.4 | 7.9 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 8.1 | 9.13 | 9.72 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 7.8 | 8.94 | 10.08 | Guide to Pharmacology |
| β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pIC50 | 9.4 | 9.4 | 9.4 | ChEMBL |
| β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pEC50 | 8.8 | 9.15 | 9.5 | ChEMBL |