Propranolol
Chemical Properties
| SMILES | OC(COc1cccc2c1cccc2)CNC(C)C |
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 6 |
| Molecular weight | 259.2 |
Drug Properties
| Type | Small molecule |
| Endogenous | No |
| Approved | Yes |
| InChIKey | AQHHHDLHHXJYJD-UHFFFAOYSA-N |
Bioactivity
| Receptor | Experimental Data | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 9.1 | 9.3 | 9.5 | Guide to Pharmacology |
| β3 | ADRB3 | Rat | Adrenoceptors | A | pKi | 6.4 | 6.4 | 6.4 | Guide to Pharmacology |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 6.3 | 6.75 | 7.2 | Guide to Pharmacology |
| β3 | ADRB3 | Mouse | Adrenoceptors | A | pKi | 6.5 | 6.55 | 6.6 | Guide to Pharmacology |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.5 | 7.5 | 7.5 | Guide to Pharmacology |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 5.1 | 5.1 | 5.1 | Guide to Pharmacology |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.2 | 8.55 | 8.9 | Guide to Pharmacology |
| β1 | ADRB1 | Mouse | Adrenoceptors | A | pKi | 8.62 | 8.62 | 8.62 | ChEMBL |
| β2 | ADRB2 | Bovine | Adrenoceptors | A | pKd | 9.05 | 9.05 | 9.05 | ChEMBL |
| β2 | ADRB2 | Dog | Adrenoceptors | A | pKd | 8.75 | 8.75 | 8.75 | ChEMBL |
| β2 | ADRB2 | Dog | Adrenoceptors | A | pIC50 | 7.77 | 7.77 | 7.77 | ChEMBL |
| β1 | ADRB1 | Rat | Adrenoceptors | A | pKd | 5.58 | 7.73 | 8.62 | ChEMBL |
| β1 | ADRB1 | Rat | Adrenoceptors | A | pKi | 5.01 | 7.51 | 8.52 | ChEMBL |
| β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pKd | 6.6 | 8.31 | 8.76 | ChEMBL |
| β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pIC50 | 7.46 | 7.46 | 7.46 | ChEMBL |
| β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pKd | 6.62 | 8.3 | 9.01 | ChEMBL |
| β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pIC50 | 7.54 | 7.54 | 7.54 | ChEMBL |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 7.3 | 7.46 | 7.77 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.39 | 5.39 | 5.39 | ChEMBL |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 5.09 | 5.09 | 5.09 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.6 | 8.05 | 8.72 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 7.93 | 8.68 | 8.96 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 8.74 | 8.74 | 8.74 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKd | 6.7 | 7.89 | 8.74 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKd | 6.67 | 6.73 | 6.79 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pIC50 | 6.78 | 6.83 | 6.88 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 6.91 | 6.96 | 7.0 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.39 | 6.43 | 6.47 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.58 | 6.62 | 6.66 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 4.89 | 4.89 | 4.89 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 6.82 | 8.95 | 10.0 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 7.3 | 8.9 | 9.45 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.43 | 9.15 | 9.61 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.86 | 7.04 | 7.26 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 6.61 | 6.76 | 6.91 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 5.51 | 5.75 | 6.0 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.85 | 6.09 | 6.33 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.85 | 5.97 | 6.14 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 5.64 | 5.75 | 5.86 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.4 | 5.4 | 5.4 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.72 | 5.78 | 5.83 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.27 | 6.32 | 6.38 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.61 | 5.9 | 6.19 | PDSP KiDatabase |
| 5-HT1A | A0A4X1UTF5 | Pig | 5-Hydroxytryptamine | A | pKi | 5.48 | 5.48 | 5.48 | PDSP KiDatabase |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.4 | 4.4 | 4.4 | ChEMBL |
| 5-HT2C | 5HT2C | Mouse | 5-Hydroxytryptamine | A | pKi | 5.24 | 5.24 | 5.24 | PDSP KiDatabase |
| 5-HT2C | A0A4X1VZZ6 | Pig | 5-Hydroxytryptamine | A | pKi | 4.8 | 5.31 | 5.8 | PDSP KiDatabase |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 4.61 | 4.9 | 5.24 | PDSP KiDatabase |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 6.07 | 6.45 | 7.3 | PDSP KiDatabase |
| 5-HT1D | F1MMU1 | Bovine | 5-Hydroxytryptamine | A | pKi | 4.0 | 4.35 | 4.5 | PDSP KiDatabase |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 4.26 | 4.34 | 4.43 | PDSP KiDatabase |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 4.21 | 4.74 | 5.23 | PDSP KiDatabase |
| 5-HT2A | 5HT2A | Bovine | 5-Hydroxytryptamine | A | pKi | 4.6 | 4.6 | 4.6 | PDSP KiDatabase |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 4.05 | 4.45 | 4.82 | PDSP KiDatabase |
| D1 | DRD1 | Human | Dopamine | A | pKi | 4.0 | 4.0 | 4.0 | PDSP KiDatabase |
| D2 | DRD2 | Human | Dopamine | A | pKi | 4.0 | 4.0 | 4.0 | PDSP KiDatabase |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.48 | 5.86 | 6.26 | PDSP KiDatabase |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 4.0 | 5.04 | 6.25 | PDSP KiDatabase |
| 5-HT1D | 5HT1D | Rat | 5-Hydroxytryptamine | A | pKi | 4.89 | 4.89 | 4.89 | PDSP KiDatabase |
| 5-HT5A | 5HT5A | Mouse | 5-Hydroxytryptamine | A | pKi | 4.0 | 4.0 | 4.0 | PDSP KiDatabase |
| 5-HT6 | 5HT6R | Mouse | 5-Hydroxytryptamine | A | pKi | 4.0 | 4.0 | 4.0 | PDSP KiDatabase |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 7.57 | 8.34 | 9.7 | PDSP KiDatabase |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.1 | 8.68 | 10.0 | PDSP KiDatabase |
| H1 | HRH1 | Human | Histamine | A | pKi | 4.0 | 4.11 | 4.22 | PDSP KiDatabase |
| β2 | ADRB2 | Rat | Adrenoceptors | A | pKi | 4.0 | 6.65 | 8.34 | PDSP KiDatabase |
| β1 | H0W3H1 | Guinea pig | Adrenoceptors | A | pKi | 7.28 | 7.28 | 7.28 | PDSP KiDatabase |
| β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pKi | 8.08 | 8.09 | 8.1 | PDSP KiDatabase |
| β2 | ADRB2 | Dog | Adrenoceptors | A | pKi | 5.4 | 6.54 | 7.68 | PDSP KiDatabase |
| D1 | DRD1 | Bovine | Dopamine | A | pKi | 4.0 | 4.0 | 4.0 | PDSP KiDatabase |
| D2 | DRD2 | Bovine | Dopamine | A | pKi | 4.55 | 4.55 | 4.55 | PDSP KiDatabase |
| 5-HT1A | 5HT1A | Bornean orangutan | 5-Hydroxytryptamine | A | pKi | 6.11 | 6.11 | 6.11 | PDSP KiDatabase |
| 5-HT1B | 5HT1B | Guinea pig | 5-Hydroxytryptamine | A | pKi | 4.56 | 4.56 | 4.56 | PDSP KiDatabase |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 5.73 | 5.73 | 5.73 | PDSP KiDatabase |
| β1 | ADRB1 | Rat | Adrenoceptors | A | pKi | 7.55 | 7.86 | 8.16 | PDSP KiDatabase |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP KiDatabase |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP KiDatabase |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP KiDatabase |