indacaterol
| SMILES | CCc1cc2CC(Cc2cc1CC)NC[C@@H](c1ccc(c2c1ccc(=O)[nH]2)O)O |
| InChIKey | QZZUEBNBZAPZLX-QFIPXVFZSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 392.2 |
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 |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 6.7 | 6.7 | 6.7 | Guide to Pharmacology |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 7.8 | 7.8 | 7.8 | Guide to Pharmacology |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 7.04 | 7.04 | 7.04 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 7.12 | 7.5 | 7.69 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 5.98 | 5.98 | 5.98 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pIC50 | 8.1 | 8.1 | 8.1 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.5 | 6.5 | 6.5 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 7.8 | 8.42 | 9.1 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 8.34 | 8.34 | 8.34 | Drug Central |
| β2 | ADRB2 | Guinea pig | Adrenoceptors | A | pIC50 | 8.09 | 8.09 | 8.09 | Drug Central |