solabegron
| SMILES | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O |
| InChIKey | LLDXOPKUNJTIRF-QFIPXVFZSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 410.1 |
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 | 6.4 | 6.4 | 6.4 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 5.4 | 5.4 | 5.4 | Guide to Pharmacology |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.4 | 8.55 | 8.7 | Guide to Pharmacology |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 8.4 | 8.4 | 8.4 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 5.4 | 5.4 | 5.4 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 5.9 | 5.9 | 5.9 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pEC50 | 5.9 | 5.9 | 5.9 | Guide to Pharmacology |