salmeterol
| SMILES | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O |
| InChIKey | GIIZNNXWQWCKIB-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 16 |
| Molecular weight (Da) | 415.3 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 6.8 | 8.05 | 9.3 | Guide to Pharmacology |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.6 | 5.86 | 6.11 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 6.74 | 8.74 | 9.74 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 5.96 | 7.74 | 9.52 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 5.98 | 5.98 | 5.98 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 4.5 | 4.5 | 4.5 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.8 | 7.01 | 8.21 | PDSP Ki database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 7.6 | 8.16 | 9.41 | PDSP Ki database |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 5.14 | 6.7 | 8.25 | PDSP Ki database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.35 | 8.35 | 8.35 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| β1 | ADRB1 | Mouse | Adrenoceptors | A | pKi | 6.26 | 6.26 | 6.26 | ChEMBL |
| β1 | ADRB1 | Mouse | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 9.2 | 9.55 | 9.9 | Guide to Pharmacology |
| β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pEC50 | 8.3 | 8.3 | 8.3 | ChEMBL |
| β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pIC50 | 8.46 | 8.46 | 8.46 | ChEMBL |
| β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pEC50 | 7.5 | 8.17 | 8.57 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.95 | 4.95 | 4.95 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 5.9 | 5.93 | 6.0 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 5.3 | 6.29 | 7.17 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.3 | 6.3 | 6.3 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 8.35 | 9.56 | 10.35 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 8.3 | 8.3 | 8.3 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.22 | 8.22 | 8.22 | Drug Central |
| β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pEC50 | 8.12 | 8.12 | 8.12 | Drug Central |