xamoterol
| SMILES | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 |
| InChIKey | DXPOSRCHIDYWHW-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 339.2 |
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 | 7.0 | 7.1 | 7.2 | Guide to Pharmacology |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKd | 4.7 | 4.7 | 4.7 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKd | 7.09 | 7.42 | 7.75 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 5.76 | 5.97 | 6.18 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 8.21 | 8.21 | 8.21 | Drug Central |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKd | 8.33 | 8.33 | 8.33 | Drug Central |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKd | 8.11 | 8.11 | 8.11 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 4.0 | 4.0 | 4.0 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 7.96 | 7.96 | 7.96 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 6.15 | 6.15 | 6.15 | ChEMBL |