[3H]CGP12177
| SMILES | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C |
| InChIKey | UMQUQWCJKFOUGV-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 279.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 9.8 | 9.8 | 9.8 | Guide to Pharmacology |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKd | 7.0 | 7.0 | 7.0 | Guide to Pharmacology |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKd | 7.72 | 8.71 | 9.7 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pEC50 | 7.91 | 7.91 | 7.91 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 8.71 | 8.71 | 8.71 | ChEMBL |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 5.7 | 5.7 | 5.7 | ChEMBL |