alprenolol
| SMILES | C=CCc1ccccc1OCC(CNC(C)C)O |
| InChIKey | PAZJSJFMUHDSTF-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 249.2 |
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 | 9.0 | 9.0 | 9.0 | Guide to Pharmacology |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.55 | 8.55 | 8.55 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKd | 6.75 | 7.69 | 8.37 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.93 | 6.93 | 6.93 | ChEMBL |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 5.03 | 5.33 | 5.63 | PDSP Ki database |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 7.7 | 7.7 | 7.7 | PDSP Ki database |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 7.0 | 7.08 | 7.15 | PDSP Ki database |
| 5-HT2C | K7GSR7 | Pig | 5-Hydroxytryptamine | A | pKi | 5.35 | 5.35 | 5.35 | PDSP Ki database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 6.77 | 8.11 | 8.92 | PDSP Ki database |
| β2 | ADRB2 | Rat | Adrenoceptors | A | pKi | 9.24 | 9.27 | 9.3 | PDSP Ki database |
| β1 | ADRB1 | Rat | Adrenoceptors | A | pKi | 8.38 | 8.67 | 8.96 | PDSP Ki database |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 5.0 | 5.05 | 5.16 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKd | 8.01 | 8.01 | 8.01 | Drug Central |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 8.02 | 8.02 | 8.02 | Drug Central |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKd | 8.16 | 8.16 | 8.16 | Drug Central |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 7.46 | 7.46 | 7.46 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.67 | 7.67 | 7.67 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.29 | 5.29 | 5.29 | PDSP Ki database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.24 | 8.24 | 8.24 | PDSP Ki database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 8.84 | 9.12 | 9.53 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.92 | 9.04 | 9.3 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKd | 6.86 | 6.99 | 7.12 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 7.86 | 8.09 | 8.31 | ChEMBL |
| β2 | ADRB2 | Bovine | Adrenoceptors | A | pIC50 | 8.07 | 8.07 | 8.07 | Drug Central |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.2 | 6.2 | 6.2 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 8.26 | 8.56 | 8.94 | ChEMBL |
| β2 | ADRB2 | Bovine | Adrenoceptors | A | pIC50 | 8.53 | 8.53 | 8.53 | ChEMBL |