clenbuterol
| SMILES | CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O |
| InChIKey | STJMRWALKKWQGH-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 276.1 |
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 | 7.4 | 7.65 | 7.9 | Guide to Pharmacology |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 7.4 | 7.65 | 7.9 | Guide to Pharmacology |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 7.16 | 7.16 | 7.16 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.82 | 5.82 | 5.82 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 6.24 | 6.89 | 7.55 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 7.8 | 7.8 | 7.8 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 6.24 | 6.24 | 6.24 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 8.11 | 8.11 | 8.11 | Drug Central |
| β2 | ADRB2 | Bovine | Adrenoceptors | A | pKd | 8.13 | 8.13 | 8.13 | Drug Central |
| β2 | ADRB2 | Bovine | Adrenoceptors | A | pKd | 7.44 | 7.44 | 7.44 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 9.2 | 9.2 | 9.2 | Guide to Pharmacology |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 9.2 | 9.2 | 9.2 | Guide to Pharmacology |
| β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.92 | 6.92 | 6.92 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.58 | 5.58 | 5.58 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 5.89 | 6.64 | 7.39 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.25 | 8.25 | 8.25 | Drug Central |
| β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pEC50 | 7.89 | 7.89 | 7.89 | ChEMBL |