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 |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.9 | 9.0 | 9.1 | Guide to Pharmacology |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKd | 8.8 | 8.8 | 8.8 | Guide to Pharmacology |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 7.2 | 7.25 | 7.3 | Guide to Pharmacology |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 7.3 | 7.7 | 8.1 | Guide to Pharmacology |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 7.9 | 8.25 | 8.6 | Guide to Pharmacology |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKd | 9.5 | 9.5 | 9.5 | Guide to Pharmacology |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.9 | 9.0 | 9.1 | Guide to Pharmacology |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.6 | 8.6 | 8.6 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.64 | 8.64 | 8.64 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.07 | 8.07 | 8.07 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 6.75 | 6.75 | 6.75 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.89 | 9.03 | 9.13 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 7.3 | 7.52 | 7.92 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKd | 7.8 | 7.8 | 7.8 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 7.21 | 7.5 | 7.8 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.26 | 8.26 | 8.26 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKd | 8.02 | 8.02 | 8.02 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 7.2 | 7.2 | 7.2 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β1 | ADRB1 | Rat | Adrenoceptors | A | pEC50 | 5.64 | 5.64 | 5.64 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.5 | 6.5 | 6.5 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 7.4 | 7.4 | 7.4 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pEC50 | 7.35 | 7.6 | 7.96 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 7.8 | 8.67 | 9.1 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 4.6 | 4.6 | 4.6 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 8.19 | 8.19 | 8.19 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 8.34 | 8.34 | 8.34 | Drug Central |
| β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pEC50 | 9.0 | 9.0 | 9.0 | ChEMBL |