CHEMBL332010
| SMILES | N#CN/C(=N\c1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(C(N)=O)c1 |
| InChIKey | UPWFWUGEOVNJIM-QFIPXVFZSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 443.2 |
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 |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β3 | ADRB3 | Human | Adrenoceptors | A | pEC50 | 6.82 | 6.82 | 6.82 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 6.01 | 6.01 | 6.01 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 6.4 | 6.4 | 6.4 | ChEMBL |