propafenone
| SMILES | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O |
| InChIKey | JWHAUXFOSRPERK-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 341.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 6.7 | 6.7 | 6.7 | Guide to Pharmacology |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 7.44 | 7.44 | 7.44 | Guide to Pharmacology |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 5.85 | 5.85 | 5.85 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 5.6 | 5.6 | 5.6 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 6.5 | 6.5 | 6.5 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 6.69 | 6.69 | 6.69 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.03 | 6.03 | 6.03 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.06 | 6.06 | 6.06 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.24 | 7.24 | 7.24 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.7 | 6.7 | 6.7 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 7.44 | 7.44 | 7.44 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.73 | 6.73 | 6.73 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 5.59 | 5.59 | 5.59 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 5.21 | 5.21 | 5.21 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pIC50 | 6.37 | 6.37 | 6.37 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.45 | 6.45 | 6.45 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.79 | 5.79 | 5.79 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 5.73 | 5.73 | 5.73 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 7.04 | 7.04 | 7.04 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 6.42 | 6.42 | 6.42 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 7.28 | 7.28 | 7.28 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.18 | 6.18 | 6.18 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.24 | 8.24 | 8.24 | Drug Central |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.28 | 8.28 | 8.28 | Drug Central |