terbutaline
| SMILES | OC(c1cc(O)cc(c1)O)CNC(C)(C)C |
| InChIKey | XWTYSIMOBUGWOL-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 225.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
| Ligand site mutations | β2 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 3.9 | 3.9 | 3.9 | Guide to Pharmacology |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.5 | 5.55 | 5.6 | Guide to Pharmacology |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 5.6 | 5.6 | 5.6 | ChEMBL |
| β1 | H0W3H1 | Guinea pig | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.0 | 5.2 | 5.6 | PDSP Ki database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| β2 | ADRB2 | Bovine | Adrenoceptors | A | pKd | 8.27 | 8.27 | 8.27 | Drug Central |
| β2 | ADRB2 | Bovine | Adrenoceptors | A | pKd | 5.4 | 5.4 | 5.4 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 5.8 | 5.8 | 5.8 | Guide to Pharmacology |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 7.3 | 7.3 | 7.3 | Guide to Pharmacology |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 5.5 | 5.5 | 5.5 | ChEMBL |