CHEMBL72995
| SMILES | CC1CN=C(Nc2ccc3nccnc3c2Br)N1 |
| InChIKey | XBTUHMKOYJCXOJ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 1 |
| Molecular weight (Da) | 305.0 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 5.3 | 5.3 | 5.3 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.49 | 5.49 | 5.49 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.19 | 6.19 | 6.19 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.42 | 5.42 | 5.42 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 6.08 | 6.08 | 6.08 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 4.8 | 4.8 | 4.8 | ChEMBL |