(-)-propranolol
SMILES | O[C@H](COc1cccc2c1cccc2)CNC(C)C |
InChIKey | AQHHHDLHHXJYJD-AWEZNQCLSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 259.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | Yes |
Sankey plot
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
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 | 7.9 | 8.4 | 8.9 | Guide to Pharmacology |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 9.1 | 9.3 | 9.5 | Guide to Pharmacology |
β3 | ADRB3 | Mouse | Adrenoceptors | A | pKi | 6.5 | 6.55 | 6.6 | Guide to Pharmacology |
β3 | ADRB3 | Rat | Adrenoceptors | A | pKi | 6.4 | 6.4 | 6.4 | 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 |
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 |
β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pKd | 6.62 | 8.3 | 9.01 | ChEMBL |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 7.3 | 7.46 | 7.77 | ChEMBL |
β3 | ADRB3 | Human | Adrenoceptors | A | pKd | 6.67 | 6.73 | 6.79 | ChEMBL |
β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 6.91 | 6.96 | 7.0 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pKd | 6.7 | 7.89 | 8.74 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 7.93 | 8.68 | 8.96 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 4.89 | 4.89 | 4.89 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.86 | 7.04 | 7.26 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.85 | 6.09 | 6.33 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.58 | 6.62 | 6.66 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.85 | 5.97 | 6.14 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 6.82 | 8.95 | 10.0 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.43 | 9.15 | 9.61 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.27 | 6.32 | 6.38 | ChEMBL |
β3 | ADRB3 | Mouse | Adrenoceptors | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.39 | 5.39 | 5.39 | PDSP Ki database |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.8 | 7.25 | PDSP Ki database |
D2 | DRD2 | Bovine | Dopamine | A | pKi | 5.55 | 5.55 | 5.55 | PDSP Ki database |
D1 | DRD1 | Bovine | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.74 | 8.74 | 8.74 | PDSP Ki database |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 9.1 | 9.1 | 9.1 | PDSP Ki database |
β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 6.73 | 6.73 | 6.73 | PDSP Ki database |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 7.11 | 7.11 | 7.11 | PDSP Ki database |
β2 | ADRB2 | Rat | Adrenoceptors | A | pKi | 9.34 | 9.34 | 9.34 | PDSP Ki database |
H1 | HRH1 | Human | Histamine | A | pKi | 5.22 | 5.22 | 5.22 | PDSP Ki database |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
H1 | HRH1 | Human | Histamine | A | pKi | 8.33 | 8.33 | 8.33 | Drug Central |
β2 | ADRB2 | Bovine | Adrenoceptors | A | pKd | 8.04 | 8.04 | 8.04 | Drug Central |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
β1 | ADRB1 | Mouse | Adrenoceptors | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
D2 | DRD2 | Rat | Dopamine | A | pKi | 8.31 | 8.31 | 8.31 | Drug Central |
β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pKd | 8.05 | 8.05 | 8.05 | Drug Central |
β1 | ADRB1 | Rat | Adrenoceptors | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pKd | 8.06 | 8.06 | 8.06 | Drug Central |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.39 | 5.39 | 5.39 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 6.3 | 6.75 | 7.2 | Guide to Pharmacology |
β1 | ADRB1 | Rat | Adrenoceptors | A | pKi | 9.16 | 9.16 | 9.16 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β2 | ADRB2 | Dog | Adrenoceptors | A | pIC50 | 7.77 | 7.77 | 7.77 | ChEMBL |
β1 | B0FL73 | Guinea pig | Adrenoceptors | A | pIC50 | 7.46 | 7.46 | 7.46 | ChEMBL |
β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pIC50 | 7.54 | 7.54 | 7.54 | ChEMBL |
β3 | ADRB3 | Human | Adrenoceptors | A | pIC50 | 6.78 | 6.83 | 6.88 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.6 | 8.05 | 8.72 | ChEMBL |
β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 8.74 | 8.74 | 8.74 | 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-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.39 | 6.43 | 6.47 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 5.64 | 5.75 | 5.86 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 7.3 | 8.9 | 9.45 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.72 | 5.78 | 5.83 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.4 | 5.4 | 5.4 | ChEMBL |
β2 | ADRB2 | Dog | Adrenoceptors | A | pIC50 | 8.11 | 8.11 | 8.11 | Drug Central |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.4 | 4.4 | 4.4 | ChEMBL |