darifenacin
| SMILES | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 |
| InChIKey | HXGBXQDTNZMWGS-RUZDIDTESA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 426.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.5 | 8.5 | 8.5 | Guide to Pharmacology |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.48 | 5.48 | 5.48 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.28 | 8.28 | 8.28 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.47 | 8.47 | 8.47 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.7 | 8.7 | 8.7 | Guide to Pharmacology |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 5.77 | 5.77 | 5.77 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.66 | 5.66 | 5.66 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 4.72 | 4.72 | 4.72 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 4.85 | 4.85 | 4.85 | ChEMBL |